SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_041303623.1 NCBI__GCF_000092905.1:WP_041303623.1 to proteins with known functional sites using BLASTp with E ≤ 0.001.

Or try Sites on a Tree, PaperBLAST, Conserved Domains, or compare to all protein structures

Found 20 (the maximum) hits to proteins with known functional sites (download)

2j5nA 1-pyrroline-5-carboxylate dehydrogenase from thermus thermophirus with bound inhibitor glycine and NAD.
58% identity, 99% coverage: 7:517/517 of query aligns to 6:516/516 of 2j5nA

query
sites
2j5nA

F

F

R

R

N

N

E

E

P

P

L

I

T

E

N

T

F

F

Q

Q

D

T

P

E

A

E

F

A

H

R

R

R

A

A

M

M

K

R

D

E

A

A

L

L

E

R

D

R

V

V

R

R

R

E

G

E

F

F

G

G

R

R

E

H

Y

Y

P

P

M

L

R

Y

I

I

D

G

G

G

R

E

D

W

R

V

F

D

S

T

G

K

H

E

W

R

I

M

R

V

S

S

A

L

D

N

P

P

S

S

R

A

P

P

K

S

E

E

L

V

V

V

G

G

Q

T

V

T

A

A

A

K

A

A

T

G

R

K

E

A

D

E

A

A

M

E

D

A

A

A

V

L

E

E

G

A

A

A

W

W

S

K

A

A

F

F

K

K

S

T

W

W

S

K

R

D

V

W

P

P

A

Q

E

E

A

D

R

R

A

S

R

R

C

L

L

L

F

L

K

K

A

A

A

A

A

A

I

L

M

M

R

R

R

R

R

R

K

K

F

R

H

E

L

L

A

E

A

A

L

T

M

L

C

V

F

Y

E

E

V

V

G

G

K

K

T

N

W

W

S

V

E

E

A

A

D

S

A

A

D

D

V

V

A

A

E

E

A

A

I

I

D

D

F

F

L

I

E

E

F

Y

Y

Y

G

A

R

R

E

A

M

A

I

L

R

R

L

Y

A

R

R

Y

P

P

H

A

-

V

P

E

L

V

T

V

R

P

I

Y

Q

P

G

G

E

E

D

D

N

N

E

E

V

S

T

F

Y

Y

E

V

P

P

L

L

G

G

V

A

G

G

V

V

V

V

I
|
I

P
x
A

P
|
P

W
|
W

N
|
N

F

F

P

P

L

V

A

A

I
|
I

L

F

T

T

G

G

M

M

T

I

V

V

S

G

S

P

V

V

V

A

A

V

G

G

N

N

A

T

V

V

V

I

L

A

K
|
K

P

P

A

A

S
x
E

A

D

S

A

P

V

V

V

I

V

A

G

A

A

E

K

F

V

A

F

K

E

I

I

M

F

E

H

E

E

A

A

G

G

I

F

P

P

P

P

G

G

V

V

I

V

Q

N

F

F

L

L

P

P

G

G

S

V

G
|
G

G

E

E

E

I

V

G

G

D

A

V

Y

L

L

V

V

S

E

H

H

P

P

Q

R

V

I

R

R

F

F

V

I

T

N

F
|
F

T
|
T

G
|
G

S
|
S

R

L

D

E

V
|
V

G

G

V

L

H

K

I

I

Y

Y

E

E

L

A

A

A

A

G

K

R

V

L

Q

A

P

P

G

G

Q

Q

K

T

W

W

L

F

K

K

R

R

V

A

I

Y

A

V

E
|
E

M
x
T

G

G

G

G

K

K

D

D

A

A

I

I

I

I

V

V

D

D

S

E

D

T

A

A

D

D

L

F

D

D

D

L

A

A

A

A

A

E

G

G

I

V

V

V

T

V

S

S

A

A

F

Y

G

G

F

F

A

Q

G

G

Q

Q

K

K

C
|
C

S
|
S

A

A

C

A

S

S

R

R

V

L

I

I

A

L

L

T

D

Q

D

G

V

A

Y

Y

E

E

P

P

I

V

L

L

E

E

R

R

V

V

R

L

A

K

L

R

T

A

E

E

R

R

L

L

K

S

V

V

A

G

P

P

A

A

D

E

L

-

E

E

E

N

A

P

S

D

Y

L

G

G

P

P

V

V

V

V

D

S

R

A

A

E

A

Q

Y

E

D

R

K

K

V

V

L

L

Q

S

Y

Y

I

I

E

E

I

I

G

G

Q

K

T

N

E

E

G

G

Q

Q

L

L

V

V

T

L

G

G

G

G

G

K

P

R

A

L

E

E

G

G

D

E

G

G

Y

Y

F

F

I

I

K

A

P

P

T

T

I

V

F

F

R

T

D

E

V

V

P

P

P

P

E

K

A

A

R

R

I

I

A

A

Q

Q

E

E

E
|
E

I

I

F
|
F

G

G

P

P

V

V

L

L

A

S

F

V

L

I

K

R

A

V

K

K

D

D

F

F

D

A

E

E

A

A

L

L

R

E

I

V

A

A

N

N

G

D

T

T

Q

P

Y

Y

G

G

L

L

T

T

G

G

G

G

V

V

Y

Y

S

S

R

R

N

K

R

R

A

E

H

H

L

L

E

E

Q

W

A

A

R

R

R

R

E

E

F

F

E

H

V

V

G

G

N

N

L

L

Y

Y

F

F

N

N

R

R

K

K

I

I

T

T

G
|
G

A
|
A

L

L

V

V

G

G

A

V

H

Q

P

P

F
|
F

G

G

G

G

F

F

H

K

M

L

S

S

G

G

T

T

D

N

S

A

K

K

A
x
T

G

G

G

A

Q

L

D

D

Y

Y

L

L

L

R

L

L

L

F

T

L

Q

E

A

M

K

K

V

A

V

V

S

A

E

E

R

R

F

F

active site: N184 (= N184), K207 (= K207), E288 (= E288), C322 (= C322), E417 (= E418), T497 (≠ A498)
binding glycine: S323 (= S323), G477 (= G478), A478 (= A479), F485 (= F486)
binding nicotinamide-adenine-dinucleotide: I180 (= I180), A181 (≠ P181), P182 (= P182), W183 (= W183), N184 (= N184), I189 (= I189), K207 (= K207), E210 (≠ S210), G240 (= G240), F258 (= F258), T259 (= T259), G260 (= G260), S261 (= S261), V264 (= V264), E288 (= E288), T289 (≠ M289), C322 (= C322), E417 (= E418), F419 (= F420)

2ej6A Crystal analysis of delta1-pyrroline-5-carboxylate dehydrogenase from thermus thermophilus with bound d-proline
58% identity, 99% coverage: 7:517/517 of query aligns to 6:516/516 of 2ej6A

query
sites
2ej6A

F

F

R

R

N

N

E

E

P

P

L

I

T

E

N

T

F

F

Q

Q

D

T

P

E

A

E

F

A

H

R

R

R

A

A

M

M

K

R

D

E

A

A

L

L

E

R

D

R

V

V

R

R

R

E

G

E

F

F

G

G

R

R

E

H

Y

Y

P

P

M

L

R

Y

I

I

D

G

G

G

R

E

D

W

R

V

F

D

S

T

G

K

H

E

W

R

I

M

R

V

S

S

A

L

D

N

P

P

S

S

R

A

P

P

K

S

E

E

L

V

V

V

G

G

Q

T

V

T

A

A

A

K

A

A

T

G

R

K

E

A

D

E

A

A

M

E

D

A

A

A

V

L

E

E

G

A

A

A

W

W

S

K

A

A

F

F

K

K

S

T

W

W

S

K

R

D

V

W

P

P

A

Q

E

E

A

D

R

R

A

S

R

R

C

L

L

L

F

L

K

K

A

A

A

A

A

A

I

L

M

M

R

R

R

R

R

R

K

K

F

R

H

E

L

L

A

E

A

A

L

T

M

L

C

V

F

Y

E

E

V

V

G

G

K

K

T

N

W

W

S

V

E

E

A

A

D

S

A

A

D

D

V

V

A

A

E
|
E

A

A

I

I

D

D

F

F

L

I

E

E

F

Y

Y

Y

G

A

R

R

E

A

M

A

I

L

R

R

L

Y

A

R

R

Y

P

P

H

A

-

V

P

E

L

V

T

V

R

P

I

Y

Q

P

G

G

E

E

D

D

N

N

E

E

V

S

T

F

Y

Y

E

V

P

P

L

L

G

G

V

A

G

G

V

V

V

V

I

I

P

A

P

P

W

W

N
|
N

F
|
F

P

P

L

V

A

A

I

I

L

F

T

T

G

G

M

M

T

I

V

V

S

G

S

P

V

V

V

A

A

V

G

G

N

N

A

T

V

V

V

I

L

A

K
|
K

P

P

A

A

S

E

A

D

S

A

P

V

V

V

I

V

A

G

A

A

E

K

F

V

A

F

K

E

I

I

M

F

E

H

E

E

A

A

G

G

I

F

P

P

P

P

G

G

V

V

I

V

Q

N

F

F

L

L

P

P

G

G

S

V

G

G

G

E

E

E

I

V

G

G

D

A

V

Y

L

L

V

V

S

E

H

H

P

P

Q

R

V

I

R

R

F

F

V

I

T

N

F

F

T

T

G

G

S

S

R

L

D

E

V

V

G

G

V

L

H

K

I

I

Y

Y

E

E

L

A

A

A

A

G

K

R

V

L

Q

A

P

P

G

G

Q

Q

K

T

W

W

L

F

K

K

R

R

V

A

I

Y

A

V

E
|
E

M

T

G

G

G

G

K

K

D

D

A

A

I

I

I

I

V

V

D

D

S

E

D

T

A

A

D

D

L

F

D

D

D

L

A

A

A

A

A

E

G

G

I

V

V

V

T

V

S

S

A

A

F

Y

G

G

F

F

A

Q

G

G

Q

Q

K

K

C
|
C

S
|
S

A

A

C

A

S

S

R

R

V

L

I

I

A

L

L

T

D

Q

D

G

V

A

Y

Y

E

E

P

P

I

V

L

L

E

E

R

R

V

V

R

L

A

K

L

R

T

A

E

E

R

R

L

L

K

S

V

V

A

G

P

P

A

A

D

E

L

-

E

E

E

N

A

P

S

D

Y

L

G

G

P

P

V

V

V

V

D

S

R

A

A

E

A

Q

Y

E

D

R

K

K

V

V

L

L

Q

S

Y

Y

I

I

E

E

I

I

G

G

Q

K

T

N

E

E

G

G

Q

Q

L

L

V

V

T

L

G

G

G

G

G

K

P

R

A

L

E

E

G

G

D

E

G

G

Y

Y

F

F

I

I

K

A

P

P

T

T

I

V

F

F

R

T

D

E

V

V

P

P

P

P

E

K

A

A

R

R

I

I

A

A

Q

Q

E

E

E
|
E

I

I

F

F

G

G

P

P

V

V

L

L

A

S

F

V

L

I

K

R

A

V

K

K

D

D

F

F

D

A

E

E

A

A

L

L

R

E

I

V

A

A

N

N

G

D

T

T

Q

P

Y

Y

G

G

L

L

T

T

G

G

G

G

V

V

Y

Y

S

S

R

R

N

K

R

R

A

E

H

H

L

L

E

E

Q

W

A

A

R

R

R

R

E

E

F

F

E

H

V

V

G

G

N

N

L

L

Y

Y

F

F

N

N

R

R

K

K

I

I

T

T

G
|
G

A
|
A

L

L

V

V

G

G

A

V

H

Q

P

P

F
|
F

G

G

G

G

F

F

H

K

M

L

S

S

G

G

T

T

D

N

S

A

K

K

A
x
T

G

G

G

A

Q

L

D

D

Y

Y

L

L

L

R

L

L

L

F

T

L

Q

E

A

M

K

K

V

A

V

V

S

A

E

E

R

R

F

F

active site: N184 (= N184), K207 (= K207), E288 (= E288), C322 (= C322), E417 (= E418), T497 (≠ A498)
binding d-proline: E137 (= E138), F185 (= F185), S323 (= S323), G477 (= G478), A478 (= A479), F485 (= F486)

2eitA Crystal analysis of delta1-pyrroline-5-carboxylate dehydrogenase from thermus thermophilus with bound l-alanine and NAD
58% identity, 99% coverage: 7:517/517 of query aligns to 6:516/516 of 2eitA

query
sites
2eitA

F

F

R

R

N

N

E

E

P

P

L

I

T

E

N

T

F

F

Q

Q

D

T

P

E

A

E

F

A

H

R

R

R

A

A

M

M

K

R

D

E

A

A

L

L

E

R

D

R

V

V

R

R

R

E

G

E

F

F

G

G

R

R

E

H

Y

Y

P

P

M

L

R

Y

I

I

D

G

G

G

R

E

D

W

R

V

F

D

S

T

G

K

H

E

W

R

I

M

R

V

S

S

A

L

D

N

P

P

S

S

R

A

P

P

K

S

E

E

L

V

V

V

G

G

Q

T

V

T

A

A

A

K

A

A

T

G

R

K

E

A

D

E

A

A

M

E

D

A

A

A

V

L

E

E

G

A

A

A

W

W

S

K

A

A

F

F

K

K

S

T

W

W

S

K

R

D

V

W

P

P

A

Q

E

E

A

D

R

R

A

S

R

R

C

L

L

L

F

L

K

K

A

A

A

A

A

A

I

L

M

M

R

R

R

R

R

R

K

K

F

R

H

E

L

L

A

E

A

A

L

T

M

L

C

V

F

Y

E

E

V

V

G

G

K

K

T

N

W

W

S

V

E

E

A

A

D

S

A

A

D

D

V

V

A

A

E

E

A

A

I

I

D

D

F

F

L

I

E

E

F

Y

Y

Y

G

A

R

R

E

A

M

A

I

L

R

R

L

Y

A

R

R

Y

P

P

H

A

-

V

P

E

L

V

T

V

R

P

I

Y

Q

P

G

G

E

E

D

D

N

N

E

E

V

S

T

F

Y

Y

E

V

P

P

L

L

G

G

V

A

G

G

V

V

V

V

I
|
I

P
x
A

P

P

W
|
W

N
|
N

F

F

P

P

L

V

A

A

I
|
I

L

F

T

T

G

G

M

M

T

I

V

V

S

G

S

P

V

V

V

A

A

V

G

G

N

N

A

T

V

V

V

I

L

A

K
|
K

P

P

A

A

S
x
E

A

D

S

A

P

V

V

V

I

V

A

G

A

A

E

K

F

V

A

F

K

E

I

I

M

F

E

H

E

E

A

A

G

G

I

F

P

P

P

P

G

G

V

V

I

V

Q

N

F

F

L

L

P

P

G

G

S

V

G
|
G

G
x
E

E

E

I

V

G
|
G

D

A

V

Y

L

L

V

V

S

E

H

H

P

P

Q

R

V

I

R

R

F

F

V

I

T

N

F
|
F

T
|
T

G
|
G

S
|
S

R

L

D

E

V
|
V

G

G

V

L

H

K

I

I

Y

Y

E

E

L

A

A

A

A

G

K

R

V

L

Q

A

P

P

G

G

Q

Q

K

T

W

W

L

F

K

K

R

R

V

A

I

Y

A

V

E
|
E

M

T

G
|
G

G

G

K

K

D

D

A

A

I

I

I

I

V

V

D

D

S

E

D

T

A

A

D

D

L

F

D

D

D

L

A

A

A

A

A

E

G

G

I

V

V

V

T

V

S

S

A

A

F

Y

G

G

F

F

A

Q

G

G

Q

Q

K

K

C
|
C

S
|
S

A

A

C

A

S

S

R

R

V

L

I

I

A

L

L

T

D

Q

D

G

V

A

Y

Y

E

E

P

P

I

V

L

L

E

E

R

R

V

V

R

L

A

K

L

R

T

A

E

E

R

R

L

L

K

S

V

V

A

G

P

P

A

A

D

E

L

-

E

E

E

N

A

P

S

D

Y

L

G

G

P

P

V

V

V

V

D

S

R

A

A

E

A

Q

Y

E

D

R

K

K

V

V

L

L

Q

S

Y

Y

I

I

E

E

I

I

G

G

Q

K

T

N

E

E

G

G

Q

Q

L

L

V

V

T

L

G

G

G

G

G

K

P

R

A

L

E

E

G

G

D

E

G

G

Y

Y

F

F

I

I

K

A

P

P

T

T

I

V

F

F

R

T

D

E

V

V

P

P

P

P

E

K

A

A

R

R

I

I

A

A

Q

Q

E

E

E
|
E

I

I

F
|
F

G

G

P

P

V

V

L

L

A

S

F

V

L

I

K

R

A

V

K

K

D

D

F

F

D

A

E

E

A

A

L

L

R

E

I

V

A

A

N

N

G

D

T

T

Q

P

Y

Y

G

G

L

L

T

T

G

G

G

G

V

V

Y

Y

S

S

R

R

N

K

R

R

A

E

H

H

L

L

E

E

Q

W

A

A

R

R

R

R

E

E

F

F

E

H

V

V

G

G

N

N

L

L

Y

Y

F

F

N

N

R

R

K

K

I

I

T

T

G
|
G

A
|
A

L

L

V

V

G

G

A

V

H

Q

P

P

F
|
F

G

G

G

G

F

F

H

K

M

L

S

S

G

G

T

T

D

N

S

A

K

K

A
x
T

G

G

G

A

Q

L

D

D

Y

Y

L

L

L

R

L

L

L

F

T

L

Q

E

A

M

K

K

V

A

V

V

S

A

E

E

R

R

F

F

active site: N184 (= N184), K207 (= K207), E288 (= E288), C322 (= C322), E417 (= E418), T497 (≠ A498)
binding alanine: S323 (= S323), G477 (= G478), A478 (= A479), F485 (= F486)
binding nicotinamide-adenine-dinucleotide: I180 (= I180), A181 (≠ P181), W183 (= W183), N184 (= N184), I189 (= I189), K207 (= K207), E210 (≠ S210), G240 (= G240), E241 (≠ G241), G244 (= G244), F258 (= F258), T259 (= T259), G260 (= G260), S261 (= S261), V264 (= V264), E288 (= E288), G290 (= G290), C322 (= C322), E417 (= E418), F419 (= F420)

2eiiA Crystal analysis of delta1-pyrroline-5-carboxylate dehydrogenase from thermus thermophilus with bound l-valine and NAD.
58% identity, 99% coverage: 7:517/517 of query aligns to 6:516/516 of 2eiiA

query
sites
2eiiA

F

F

R

R

N

N

E

E

P

P

L

I

T

E

N

T

F

F

Q

Q

D

T

P

E

A

E

F

A

H

R

R

R

A

A

M

M

K

R

D

E

A

A

L

L

E

R

D

R

V

V

R

R

R

E

G

E

F

F

G

G

R

R

E

H

Y

Y

P

P

M

L

R

Y

I

I

D

G

G

G

R

E

D

W

R

V

F

D

S

T

G

K

H

E

W

R

I

M

R

V

S

S

A

L

D

N

P

P

S

S

R

A

P

P

K

S

E

E

L

V

V

V

G

G

Q

T

V

T

A

A

A

K

A

A

T

G

R

K

E

A

D

E

A

A

M

E

D

A

A

A

V

L

E

E

G

A

A

A

W

W

S

K

A

A

F

F

K

K

S

T

W

W

S

K

R

D

V

W

P

P

A

Q

E

E

A

D

R

R

A

S

R

R

C

L

L

L

F

L

K

K

A

A

A

A

A

A

I

L

M

M

R

R

R

R

R

R

K

K

F

R

H

E

L

L

A

E

A

A

L

T

M

L

C

V

F

Y

E

E

V

V

G

G

K

K

T

N

W

W

S

V

E

E

A

A

D

S

A

A

D

D

V

V

A

A

E
|
E

A

A

I

I

D

D

F

F

L

I

E

E

F

Y

Y

Y

G

A

R

R

E

A

M

A

I

L

R

R

L

Y

A

R

R

Y

P

P

H

A

-

V

P

E

L

V

T

V

R

P

I

Y

Q

P

G

G

E

E

D

D

N

N

E

E

V

S

T

F

Y

Y

E

V

P

P

L

L

G

G

V

A

G

G

V

V

V

V

I
|
I

P
x
A

P
|
P

W
|
W

N
|
N

F
|
F

P

P

L

V

A

A

I
|
I

L

F

T

T

G

G

M

M

T

I

V

V

S

G

S

P

V

V

V

A

A

V

G

G

N

N

A

T

V

V

V

I

L

A

K
|
K

P

P

A

A

S
x
E

A

D

S

A

P

V

V

V

I

V

A

G

A

A

E

K

F

V

A

F

K

E

I

I

M

F

E

H

E

E

A

A

G

G

I

F

P

P

P

P

G

G

V

V

I

V

Q

N

F

F

L

L

P

P

G

G

S

V

G
|
G

G
x
E

E

E

I

V

G
|
G

D

A

V

Y

L

L

V

V

S

E

H

H

P

P

Q

R

V

I

R

R

F

F

V

I

T

N

F
|
F

T
|
T

G
|
G

S
|
S

R

L

D

E

V
|
V

G

G

V

L

H

K

I

I

Y

Y

E

E

L

A

A

A

A

G

K

R

V

L

Q

A

P

P

G

G

Q

Q

K

T

W

W

L

F

K

K

R

R

V

A

I

Y

A

V

E
|
E

M
x
T

G

G

G

G

K

K

D

D

A

A

I

I

I

I

V

V

D

D

S

E

D

T

A

A

D

D

L

F

D

D

D

L

A

A

A

A

A

E

G

G

I

V

V

V

T

V

S

S

A

A

F

Y

G

G

F

F

A

Q

G

G

Q

Q

K

K

C
|
C

S
|
S

A

A

C

A

S

S

R

R

V

L

I

I

A

L

L

T

D

Q

D

G

V

A

Y

Y

E

E

P

P

I

V

L

L

E

E

R

R

V

V

R

L

A

K

L

R

T

A

E

E

R

R

L

L

K

S

V

V

A

G

P

P

A

A

D

E

L

-

E

E

E

N

A

P

S

D

Y

L

G

G

P

P

V

V

V

V

D

S

R

A

A

E

A

Q

Y

E

D

R

K

K

V

V

L

L

Q

S

Y

Y

I

I

E

E

I

I

G

G

Q

K

T

N

E

E

G

G

Q

Q

L

L

V

V

T

L

G

G

G

G

G

K

P

R

A

L

E

E

G

G

D

E

G

G

Y

Y

F

F

I

I

K

A

P

P

T

T

I

V

F

F

R

T

D

E

V

V

P

P

P

P

E

K

A

A

R

R

I

I

A

A

Q

Q

E

E

E
|
E

I

I

F
|
F

G

G

P

P

V

V

L

L

A

S

F

V

L

I

K

R

A

V

K

K

D

D

F

F

D

A

E

E

A

A

L

L

R

E

I

V

A

A

N

N

G

D

T

T

Q

P

Y

Y

G

G

L

L

T

T

G

G

G

G

V

V

Y

Y

S

S

R

R

N

K

R

R

A

E

H

H

L

L

E

E

Q

W

A

A

R

R

R

R

E

E

F

F

E

H

V

V

G

G

N

N

L

L

Y

Y

F

F

N

N

R

R

K

K

I

I

T

T

G
|
G

A
|
A

L

L

V

V

G

G

A

V

H

Q

P

P

F
|
F

G

G

G

G

F

F

H

K

M

L

S

S

G

G

T

T

D

N

S

A

K

K

A
x
T

G

G

G

A

Q

L

D

D

Y

Y

L

L

L

R

L

L

L

F

T

L

Q

E

A

M

K

K

V

A

V

V

S

A

E

E

R

R

F

F

active site: N184 (= N184), K207 (= K207), E288 (= E288), C322 (= C322), E417 (= E418), T497 (≠ A498)
binding nicotinamide-adenine-dinucleotide: I180 (= I180), A181 (≠ P181), P182 (= P182), W183 (= W183), N184 (= N184), I189 (= I189), K207 (= K207), E210 (≠ S210), G240 (= G240), E241 (≠ G241), G244 (= G244), F258 (= F258), T259 (= T259), G260 (= G260), S261 (= S261), V264 (= V264), E288 (= E288), T289 (≠ M289), C322 (= C322), E417 (= E418), F419 (= F420)
binding valine: E137 (= E138), F185 (= F185), S323 (= S323), G477 (= G478), A478 (= A479), F485 (= F486)

2ehuA Crystal analysis of 1-pyrroline-5-carboxylate dehydrogenase from thermus with bound NAD and inhibitor l-serine
58% identity, 99% coverage: 7:517/517 of query aligns to 6:516/516 of 2ehuA

query
sites
2ehuA

F

F

R

R

N

N

E

E

P

P

L

I

T

E

N

T

F

F

Q

Q

D

T

P

E

A

E

F

A

H

R

R

R

A

A

M

M

K

R

D

E

A

A

L

L

E

R

D

R

V

V

R

R

R

E

G

E

F

F

G

G

R

R

E

H

Y

Y

P

P

M

L

R

Y

I

I

D

G

G

G

R

E

D

W

R

V

F

D

S

T

G

K

H

E

W

R

I

M

R

V

S

S

A

L

D

N

P

P

S

S

R

A

P

P

K

S

E

E

L

V

V

V

G

G

Q

T

V

T

A

A

A

K

A

A

T

G

R

K

E

A

D

E

A

A

M

E

D

A

A

A

V

L

E

E

G

A

A

A

W

W

S

K

A

A

F

F

K

K

S

T

W

W

S

K

R

D

V

W

P

P

A

Q

E

E

A

D

R

R

A

S

R

R

C

L

L

L

F

L

K

K

A

A

A

A

A

A

I

L

M

M

R

R

R

R

R

R

K

K

F

R

H

E

L

L

A

E

A

A

L

T

M

L

C

V

F

Y

E

E

V

V

G

G

K

K

T

N

W

W

S

V

E

E

A

A

D

S

A

A

D

D

V

V

A

A

E

E

A

A

I

I

D

D

F

F

L

I

E

E

F

Y

Y

Y

G

A

R

R

E

A

M

A

I

L

R

R

L

Y

A

R

R

Y

P

P

H

A

-

V

P

E

L

V

T

V

R

P

I

Y

Q

P

G

G

E

E

D

D

N

N

E

E

V

S

T

F

Y

Y

E

V

P

P

L

L

G

G

V

A

G

G

V

V

V

V

I
|
I

P
x
A

P
|
P

W
|
W

N
|
N

F
|
F

P

P

L

V

A

A

I
|
I

L

F

T

T

G

G

M

M

T

I

V

V

S

G

S

P

V

V

V

A

A

V

G

G

N

N

A

T

V

V

V

I

L

A

K
|
K

P

P

A

A

S
x
E

A

D

S

A

P

V

V

V

I

V

A

G

A

A

E

K

F

V

A

F

K

E

I

I

M

F

E

H

E

E

A

A

G

G

I

F

P

P

P

P

G

G

V

V

I

V

Q

N

F

F

L

L

P

P

G

G

S

V

G
|
G

G

E

E

E

I

V

G

G

D

A

V

Y

L

L

V

V

S

E

H

H

P

P

Q

R

V

I

R

R

F

F

V

I

T

N

F
|
F

T
|
T

G
|
G

S
|
S

R

L

D

E

V
|
V

G

G

V

L

H

K

I

I

Y

Y

E

E

L

A

A

A

A

G

K

R

V

L

Q

A

P

P

G

G

Q

Q

K

T

W

W

L

F

K

K

R

R

V

A

I

Y

A

V

E
|
E

M
x
T

G

G

G

G

K

K

D

D

A

A

I

I

I

I

V

V

D

D

S

E

D

T

A

A

D

D

L

F

D

D

D

L

A

A

A

A

A

E

G

G

I

V

V

V

T

V

S

S

A

A

F

Y

G

G

F

F

A

Q

G

G

Q

Q

K

K

C
|
C

S
|
S

A

A

C

A

S

S

R

R

V

L

I

I

A

L

L

T

D

Q

D

G

V

A

Y

Y

E

E

P

P

I

V

L

L

E

E

R

R

V

V

R

L

A

K

L

R

T

A

E

E

R

R

L

L

K

S

V

V

A

G

P

P

A

A

D

E

L

-

E

E

E

N

A

P

S

D

Y

L

G

G

P

P

V

V

V

V

D

S

R

A

A

E

A

Q

Y

E

D

R

K

K

V

V

L

L

Q

S

Y

Y

I

I

E

E

I

I

G

G

Q

K

T

N

E

E

G

G

Q

Q

L

L

V

V

T

L

G

G

G

G

G

K

P

R

A

L

E

E

G

G

D

E

G

G

Y

Y

F

F

I

I

K

A

P

P

T

T

I

V

F

F

R

T

D

E

V

V

P

P

P

P

E

K

A

A

R

R

I

I

A

A

Q

Q

E

E

E
|
E

I

I

F
|
F

G

G

P

P

V

V

L

L

A

S

F

V

L

I

K

R

A

V

K

K

D

D

F

F

D

A

E

E

A

A

L

L

R

E

I

V

A

A

N

N

G

D

T

T

Q

P

Y

Y

G

G

L

L

T

T

G

G

G

G

V

V

Y

Y

S

S

R

R

N

K

R

R

A

E

H

H

L

L

E

E

Q

W

A

A

R

R

R

R

E

E

F

F

E

H

V

V

G

G

N

N

L

L

Y

Y

F

F

N

N

R

R

K

K

I

I

T

T

G
|
G

A
|
A

L

L

V

V

G

G

A

V

H

Q

P

P

F
|
F

G

G

G

G

F

F

H

K

M

L

S

S

G

G

T

T

D

N

S

A

K

K

A
x
T

G

G

G

A

Q

L

D

D

Y

Y

L

L

L

R

L

L

L

F

T

L

Q

E

A

M

K

K

V

A

V

V

S

A

E

E

R

R

F

F

active site: N184 (= N184), K207 (= K207), E288 (= E288), C322 (= C322), E417 (= E418), T497 (≠ A498)
binding nicotinamide-adenine-dinucleotide: I180 (= I180), A181 (≠ P181), P182 (= P182), W183 (= W183), N184 (= N184), I189 (= I189), K207 (= K207), E210 (≠ S210), G240 (= G240), F258 (= F258), T259 (= T259), G260 (= G260), S261 (= S261), V264 (= V264), E288 (= E288), T289 (≠ M289), C322 (= C322), E417 (= E418), F419 (= F420)
binding serine: F185 (= F185), C322 (= C322), S323 (= S323), G477 (= G478), A478 (= A479), F485 (= F486)

2ehqA Crystal analysis of 1-pyrroline-5-carboxylate dehydrogenase from thermus with bound NADP (see paper)
58% identity, 99% coverage: 7:517/517 of query aligns to 6:516/516 of 2ehqA

query
sites
2ehqA

F

F

R

R

N

N

E

E

P

P

L

I

T

E

N

T

F

F

Q

Q

D

T

P

E

A

E

F

A

H

R

R

R

A

A

M

M

K

R

D

E

A

A

L

L

E

R

D

R

V

V

R

R

R

E

G

E

F

F

G

G

R

R

E

H

Y

Y

P

P

M

L

R

Y

I

I

D

G

G

G

R

E

D

W

R

V

F

D

S

T

G

K

H

E

W

R

I

M

R

V

S

S

A

L

D

N

P

P

S

S

R

A

P

P

K

S

E

E

L

V

V

V

G

G

Q

T

V

T

A

A

A

K

A

A

T

G

R

K

E

A

D

E

A

A

M

E

D

A

A

A

V

L

E

E

G

A

A

A

W

W

S

K

A

A

F

F

K

K

S

T

W

W

S

K

R

D

V

W

P

P

A

Q

E

E

A

D

R

R

A

S

R

R

C

L

L

L

F

L

K

K

A

A

A

A

A

A

I

L

M

M

R

R

R

R

R

R

K

K

F

R

H

E

L

L

A

E

A

A

L

T

M

L

C

V

F

Y

E

E

V

V

G

G

K

K

T

N

W

W

S

V

E

E

A

A

D

S

A

A

D

D

V

V

A

A

E

E

A

A

I

I

D

D

F

F

L

I

E

E

F

Y

Y

Y

G

A

R

R

E

A

M

A

I

L

R

R

L

Y

A

R

R

Y

P

P

H

A

-

V

P

E

L

V

T

V

R

P

I

Y

Q

P

G

G

E

E

D

D

N

N

E

E

V

S

T

F

Y

Y

E

V

P

P

L

L

G

G

V

A

G

G

V

V

V

V

I
|
I

P
x
A

P
|
P

W
|
W

N
|
N

F

F

P

P

L

V

A

A

I
|
I

L

F

T

T

G

G

M

M

T

I

V

V

S

G

S

P

V

V

V

A

A

V

G

G

N

N

A

T

V

V

V

I

L

A

K
|
K

P

P

A
|
A

S
x
E

A

D

S

A

P

V

V

V

I

V

A

G

A

A

E

K

F

V

A

F

K

E

I

I

M

F

E

H

E

E

A

A

G

G

I

F

P

P

P

P

G

G

V

V

I

V

Q

N

F

F

L

L

P

P

G

G

S
x
V

G
|
G

G
x
E

E

E

I

V

G

G

D

A

V

Y

L

L

V

V

S

E

H

H

P

P

Q

R

V

I

R

R

F

F

V

I

T

N

F
|
F

T
|
T

G
|
G

S
|
S

R

L

D

E

V
|
V

G

G

V

L

H

K

I

I

Y

Y

E

E

L

A

A

A

A

G

K

R

V

L

Q

A

P

P

G

G

Q

Q

K

T

W

W

L

F

K

K

R

R

V

A

I

Y

A

V

E
|
E

M
x
T

G

G

G

G

K

K

D

D

A

A

I

I

I

I

V

V

D

D

S

E

D

T

A

A

D

D

L

F

D

D

D

L

A

A

A

A

A

E

G

G

I

V

V

V

T

V

S

S

A

A

F

Y

G

G

F

F

A

Q

G

G

Q

Q

K

K

C
|
C

S

S

A

A

C

A

S

S

R

R

V

L

I

I

A

L

L

T

D

Q

D

G

V

A

Y

Y

E

E

P

P

I

V

L

L

E

E

R

R

V

V

R

L

A

K

L

R

T

A

E

E

R

R

L

L

K

S

V

V

A

G

P

P

A

A

D

E

L

-

E

E

E

N

A

P

S

D

Y

L

G

G

P

P

V

V

V

V

D

S

R

A

A

E

A

Q

Y

E

D

R

K

K

V

V

L

L

Q

S

Y

Y

I

I

E

E

I

I

G

G

Q

K

T

N

E

E

G

G

Q

Q

L

L

V

V

T

L

G

G

G

G

G

K

P

R

A

L

E

E

G

G

D

E

G

G

Y

Y

F

F

I

I

K

A

P

P

T

T

I

V

F

F

R

T

D

E

V

V

P

P

P

P

E

K

A

A

R

R

I

I

A

A

Q

Q

E

E

E
|
E

I

I

F
|
F

G

G

P

P

V

V

L

L

A

S

F

V

L

I

K

R

A

V

K

K

D

D

F

F

D

A

E

E

A

A

L

L

R

E

I

V

A

A

N

N

G

D

T

T

Q

P

Y

Y

G

G

L

L

T

T

G

G

G

G

V

V

Y

Y

S

S

R

R

N

K

R

R

A

E

H

H

L

L

E

E

Q

W

A

A

R

R

R

R

E

E

F

F

E

H

V

V

G

G

N

N

L

L

Y

Y

F

F

N

N

R

R

K

K

I

I

T

T

G

G

A

A

L

L

V

V

G

G

A

V

H

Q

P

P

F

F

G

G

G

G

F

F

H

K

M

L

S

S

G

G

T

T

D

N

S

A

K

K

A
x
T

G

G

G

A

Q

L

D

D

Y

Y

L

L

L

R

L

L

L

F

T

L

Q

E

A

M

K

K

V

A

V

V

S

A

E

E

R

R

F

F

active site: N184 (= N184), K207 (= K207), E288 (= E288), C322 (= C322), E417 (= E418), T497 (≠ A498)
binding nadp nicotinamide-adenine-dinucleotide phosphate: I180 (= I180), A181 (≠ P181), P182 (= P182), W183 (= W183), N184 (= N184), I189 (= I189), K207 (= K207), A209 (= A209), E210 (≠ S210), V239 (≠ S239), G240 (= G240), E241 (≠ G241), F258 (= F258), T259 (= T259), G260 (= G260), S261 (= S261), V264 (= V264), E288 (= E288), T289 (≠ M289), C322 (= C322), E417 (= E418), F419 (= F420)

2bhqA Crystal analysis of 1-pyrroline-5-carboxylate dehydrogenase from thermus with bound product glutamate. (see paper)
58% identity, 99% coverage: 7:517/517 of query aligns to 6:516/516 of 2bhqA

query
sites
2bhqA

F

F

R

R

N

N

E

E

P

P

L

I

T

E

N

T

F

F

Q

Q

D

T

P

E

A

E

F

A

H

R

R

R

A

A

M

M

K

R

D

E

A

A

L

L

E

R

D

R

V

V

R

R

R

E

G

E

F

F

G

G

R

R

E

H

Y

Y

P

P

M

L

R

Y

I

I

D

G

G

G

R

E

D

W

R

V

F

D

S

T

G

K

H

E

W

R

I

M

R

V

S

S

A

L

D

N

P

P

S

S

R

A

P

P

K

S

E

E

L

V

V

V

G

G

Q

T

V

T

A

A

A

K

A

A

T

G

R

K

E

A

D

E

A

A

M

E

D

A

A

A

V

L

E

E

G

A

A

A

W

W

S

K

A

A

F

F

K

K

S

T

W

W

S

K

R

D

V

W

P

P

A

Q

E

E

A

D

R

R

A

S

R

R

C

L

L

L

F

L

K

K

A

A

A

A

A

A

I

L

M

M

R

R

R

R

R

R

K

K

F

R

H

E

L

L

A

E

A

A

L

T

M

L

C

V

F

Y

E

E

V

V

G

G

K

K

T

N

W

W

S

V

E

E

A

A

D

S

A

A

D

D

V

V

A

A

E

E

A

A

I

I

D

D

F

F

L

I

E

E

F

Y

Y

Y

G

A

R

R

E

A

M

A

I

L

R

R

L

Y

A

R

R

Y

P

P

H

A

-

V

P

E

L

V

T

V

R

P

I

Y

Q

P

G

G

E

E

D

D

N

N

E

E

V

S

T

F

Y

Y

E

V

P

P

L

L

G

G

V

A

G

G

V

V

V

V

I

I

P

A

P

P

W

W

N
|
N

F
|
F

P

P

L

V

A

A

I
|
I

L

F

T

T

G

G

M

M

T

I

V

V

S

G

S

P

V

V

V

A

A

V

G

G

N

N

A

T

V

V

V

I

L

A

K
|
K

P

P

A

A

S

E

A

D

S

A

P

V

V

V

I

V

A

G

A

A

E

K

F

V

A

F

K

E

I

I

M

F

E

H

E

E

A

A

G

G

I

F

P

P

P

P

G

G

V

V

I

V

Q

N

F

F

L

L

P

P

G

G

S

V

G

G

G

E

E

E

I

V

G

G

D

A

V

Y

L

L

V

V

S

E

H

H

P

P

Q

R

V

I

R

R

F

F

V

I

T

N

F

F

T

T

G

G

S

S

R

L

D

E

V

V

G

G

V

L

H

K

I

I

Y

Y

E

E

L

A

A

A

A

G

K

R

V

L

Q

A

P

P

G

G

Q

Q

K

T

W

W

L

F

K

K

R

R

V

A

I

Y

A

V

E
|
E

M

T

G

G

G

G

K

K

D

D

A

A

I

I

I

I

V

V

D

D

S

E

D

T

A

A

D

D

L

F

D

D

D

L

A

A

A

A

A

E

G

G

I

V

V

V

T

V

S

S

A

A

F

Y

G

G

F

F

A

Q

G

G

Q

Q

K
|
K

C
|
C

S
|
S

A

A

C

A

S

S

R

R

V

L

I

I

A

L

L

T

D

Q

D

G

V

A

Y

Y

E

E

P

P

I

V

L

L

E

E

R

R

V

V

R

L

A

K

L

R

T

A

E

E

R

R

L

L

K

S

V

V

A

G

P

P

A

A

D

E

L

-

E

E

E

N

A

P

S

D

Y

L

G

G

P

P

V

V

V

V

D

S

R

A

A

E

A

Q

Y

E

D

R

K

K

V

V

L

L

Q

S

Y

Y

I

I

E

E

I

I

G

G

Q

K

T

N

E

E

G

G

Q

Q

L

L

V

V

T

L

G

G

G

G

G

K

P

R

A

L

E

E

G

G

D

E

G

G

Y

Y

F

F

I

I

K

A

P

P

T

T

I

V

F

F

R

T

D

E

V

V

P

P

P

P

E

K

A

A

R

R

I

I

A

A

Q

Q

E

E

E
|
E

I

I

F

F

G

G

P

P

V

V

L

L

A

S

F

V

L

I

K

R

A

V

K

K

D

D

F

F

D

A

E

E

A

A

L

L

R

E

I

V

A

A

N

N

G

D

T

T

Q

P

Y

Y

G

G

L

L

T

T

G

G

G

G

V

V

Y

Y

S

S

R

R

N

K

R

R

A

E

H

H

L

L

E

E

Q

W

A

A

R

R

R

R

E

E

F

F

E

H

V

V

G

G

N

N

L

L

Y

Y

F

F

N

N

R

R

K

K

I

I

T
|
T

G
|
G

A
|
A

L

L

V

V

G

G

A

V

H

Q

P

P

F
|
F

G

G

G

G

F

F

H

K

M

L

S

S

G

G

T

T

D

N

S

A

K

K

A
x
T

G

G

G

A

Q

L

D

D

Y

Y

L

L

L

R

L

L

L

F

T

L

Q

E

A

M

K

K

V

A

V

V

S

A

E

E

R

R

F

F

active site: N184 (= N184), K207 (= K207), E288 (= E288), C322 (= C322), E417 (= E418), T497 (≠ A498)
binding glutamic acid: F185 (= F185), I189 (= I189), K321 (= K321), C322 (= C322), S323 (= S323), T476 (= T477), G477 (= G478), A478 (= A479), F485 (= F486)

2bhpA Crystal analysis of 1-pyrroline-5-carboxylate dehydrogenase from thermus with bound NAD. (see paper)
58% identity, 99% coverage: 7:517/517 of query aligns to 6:516/516 of 2bhpA

query
sites
2bhpA

F

F

R

R

N

N

E

E

P

P

L

I

T

E

N

T

F

F

Q

Q

D

T

P

E

A

E

F

A

H

R

R

R

A

A

M

M

K

R

D

E

A

A

L

L

E

R

D

R

V

V

R

R

R

E

G

E

F

F

G

G

R

R

E

H

Y

Y

P

P

M

L

R

Y

I

I

D

G

G

G

R

E

D

W

R

V

F

D

S

T

G

K

H

E

W

R

I

M

R

V

S

S

A

L

D

N

P

P

S

S

R

A

P

P

K

S

E

E

L

V

V

V

G

G

Q

T

V

T

A

A

A

K

A

A

T

G

R

K

E

A

D

E

A

A

M

E

D

A

A

A

V

L

E

E

G

A

A

A

W

W

S

K

A

A

F

F

K

K

S

T

W

W

S

K

R

D

V

W

P

P

A

Q

E

E

A

D

R

R

A

S

R

R

C

L

L

L

F

L

K

K

A

A

A

A

A

A

I

L

M

M

R

R

R

R

R

R

K

K

F

R

H

E

L

L

A

E

A

A

L

T

M

L

C

V

F

Y

E

E

V

V

G

G

K

K

T

N

W

W

S

V

E

E

A

A

D

S

A

A

D

D

V

V

A

A

E

E

A

A

I

I

D

D

F

F

L

I

E

E

F

Y

Y

Y

G

A

R

R

E

A

M

A

I

L

R

R

L

Y

A

R

R

Y

P

P

H

A

-

V

P

E

L

V

T

V

R

P

I

Y

Q

P

G

G

E

E

D

D

N

N

E

E

V

S

T

F

Y

Y

E

V

P

P

L

L

G

G

V

A

G

G

V

V

V

V

I
|
I

P
x
A

P
|
P

W
|
W

N
|
N

F

F

P

P

L

V

A

A

I
|
I

L

F

T

T

G

G

M

M

T

I

V

V

S

G

S

P

V

V

V

A

A

V

G

G

N

N

A

T

V

V

V

I

L

A

K
|
K

P

P

A

A

S
x
E

A

D

S

A

P

V

V

V

I

V

A

G

A

A

E

K

F

V

A

F

K

E

I

I

M

F

E

H

E

E

A

A

G

G

I

F

P

P

P

P

G

G

V

V

I

V

Q

N

F

F

L

L

P

P

G

G

S

V

G
|
G

G
x
E

E

E

I

V

G

G

D

A

V

Y

L

L

V

V

S

E

H

H

P

P

Q

R

V

I

R

R

F

F

V

I

T

N

F
|
F

T
|
T

G
|
G

S
|
S

R

L

D

E

V
|
V

G

G

V

L

H

K

I

I

Y

Y

E

E

L

A

A

A

A

G

K

R

V

L

Q

A

P

P

G

G

Q

Q

K

T

W

W

L

F

K

K

R

R

V

A

I

Y

A

V

E
|
E

M
x
T

G

G

G

G

K

K

D

D

A

A

I

I

I

I

V

V

D

D

S

E

D

T

A

A

D

D

L

F

D

D

D

L

A

A

A

A

A

E

G

G

I

V

V

V

T

V

S

S

A

A

F

Y

G

G

F

F

A

Q

G

G

Q

Q

K

K

C
|
C

S

S

A

A

C

A

S

S

R

R

V

L

I

I

A

L

L

T

D

Q

D

G

V

A

Y

Y

E

E

P

P

I

V

L

L

E

E

R

R

V

V

R

L

A

K

L

R

T

A

E

E

R

R

L

L

K

S

V

V

A

G

P

P

A

A

D

E

L

-

E

E

E

N

A

P

S

D

Y

L

G

G

P

P

V

V

V

V

D

S

R

A

A

E

A

Q

Y

E

D

R

K

K

V

V

L

L

Q

S

Y

Y

I

I

E

E

I

I

G

G

Q

K

T

N

E

E

G

G

Q

Q

L

L

V

V

T

L

G

G

G

G

G

K

P

R

A

L

E

E

G

G

D

E

G

G

Y

Y

F

F

I

I

K

A

P

P

T

T

I

V

F

F

R

T

D

E

V

V

P

P

P

P

E

K

A

A

R

R

I

I

A

A

Q

Q

E

E

E
|
E

I

I

F
|
F

G

G

P

P

V

V

L

L

A

S

F

V

L

I

K

R

A

V

K

K

D

D

F

F

D

A

E

E

A

A

L

L

R

E

I

V

A

A

N

N

G

D

T

T

Q

P

Y

Y

G

G

L

L

T

T

G

G

G

G

V

V

Y

Y

S

S

R

R

N

K

R

R

A

E

H

H

L

L

E

E

Q

W

A

A

R

R

R

R

E

E

F

F

E

H

V

V

G

G

N

N

L

L

Y

Y

F

F

N

N

R

R

K

K

I

I

T

T

G

G

A

A

L

L

V

V

G

G

A

V

H

Q

P

P

F

F

G

G

G

G

F

F

H

K

M

L

S

S

G

G

T

T

D

N

S

A

K

K

A
x
T

G

G

G

A

Q

L

D

D

Y

Y

L

L

L

R

L

L

L

F

T

L

Q

E

A

M

K

K

V

A

V

V

S

A

E

E

R

R

F

F

active site: N184 (= N184), K207 (= K207), E288 (= E288), C322 (= C322), E417 (= E418), T497 (≠ A498)
binding nicotinamide-adenine-dinucleotide: I180 (= I180), A181 (≠ P181), P182 (= P182), W183 (= W183), N184 (= N184), I189 (= I189), K207 (= K207), E210 (≠ S210), G240 (= G240), E241 (≠ G241), F258 (= F258), T259 (= T259), G260 (= G260), S261 (= S261), V264 (= V264), E288 (= E288), T289 (≠ M289), C322 (= C322), E417 (= E418), F419 (= F420)

2eiwA Crystal analysis of delta1-pyrroline-5-carboxylate dehydrogenase from thermus thermophilus with bound l-proline
58% identity, 99% coverage: 7:517/517 of query aligns to 6:516/516 of 2eiwA

query
sites
2eiwA

F

F

R

R

N

N

E

E

P

P

L

I

T

E

N

T

F

F

Q

Q

D

T

P

E

A

E

F

A

H

R

R

R

A

A

M

M

K

R

D

E

A

A

L

L

E

R

D

R

V

V

R

R

R

E

G

E

F

F

G

G

R

R

E

H

Y

Y

P

P

M

L

R

Y

I

I

D

G

G

G

R

E

D

W

R

V

F

D

S

T

G

K

H

E

W

R

I

M

R

V

S

S

A

L

D

N

P

P

S

S

R

A

P

P

K

S

E

E

L

V

V

V

G

G

Q

T

V

T

A

A

A

K

A

A

T

G

R

K

E

A

D

E

A

A

M

E

D

A

A

A

V

L

E

E

G

A

A

A

W

W

S

K

A

A

F

F

K

K

S

T

W

W

S

K

R

D

V

W

P

P

A

Q

E

E

A

D

R

R

A

S

R

R

C

L

L

L

F

L

K

K

A

A

A

A

A

A

I

L

M

M

R

R

R

R

R

R

K

K

F

R

H

E

L

L

A

E

A

A

L

T

M

L

C

V

F

Y

E

E

V

V

G

G

K

K

T

N

W

W

S

V

E

E

A

A

D

S

A

A

D

D

V

V

A

A

E
|
E

A

A

I

I

D

D

F

F

L

I

E

E

F

Y

Y

Y

G

A

R

R

E

A

M

A

I

L

R

R

L

Y

A

R

R

Y

P

P

H

A

-

V

P

E

L

V

T

V

R

P

I

Y

Q

P

G

G

E

E

D

D

N

N

E

E

V

S

T

F

Y

Y

E

V

P

P

L

L

G

G

V

A

G

G

V

V

V

V

I

I

P

A

P

P

W

W

N
|
N

F
|
F

P

P

L

V

A

A

I

I

L

F

T

T

G

G

M

M

T

I

V

V

S

G

S

P

V

V

V

A

A

V

G

G

N

N

A

T

V

V

V

I

L

A

K
|
K

P

P

A

A

S

E

A

D

S

A

P

V

V

V

I

V

A

G

A

A

E

K

F

V

A

F

K

E

I

I

M

F

E

H

E

E

A

A

G

G

I

F

P

P

P

P

G

G

V

V

I

V

Q

N

F

F

L

L

P

P

G

G

S

V

G

G

G

E

E

E

I

V

G

G

D

A

V

Y

L

L

V

V

S

E

H

H

P

P

Q

R

V

I

R

R

F

F

V

I

T

N

F

F

T

T

G

G

S

S

R

L

D

E

V

V

G

G

V

L

H

K

I

I

Y

Y

E

E

L

A

A

A

A

G

K

R

V

L

Q

A

P

P

G

G

Q

Q

K

T

W

W

L

F

K

K

R

R

V

A

I

Y

A

V

E
|
E

M

T

G

G

G

G

K

K

D

N

A

A

I

I

I

I

V

V

D

D

S

E

D

T

A

A

D

D

L

F

D

D

D

L

A

A

A

A

A

E

G

G

I

V

V

V

T

V

S

S

A

A

F

Y

G

G

F

F

A

Q

G

G

Q

Q

K

K

C
|
C

S
|
S

A

A

C

A

S

S

R

R

V

L

I

I

A

L

L

T

D

Q

D

G

V

A

Y

Y

E

E

P

P

I

V

L

L

E

E

R

R

V

V

R

L

A

K

L

R

T

A

E

E

R

R

L

L

K

S

V

V

A

G

P

P

A

A

D

E

L

-

E

E

E

N

A

P

S

D

Y

L

G

G

P

P

V

V

V

V

D

S

R

A

A

E

A

Q

Y

E

D

R

K

K

V

V

L

L

Q

S

Y

Y

I

I

E

E

I

I

G

G

Q

K

T

N

E

E

G

G

Q

Q

L

L

V

V

T

L

G

G

G

G

G

K

P

R

A

L

E

E

G

G

D

E

G

G

Y

Y

F

F

I

I

K

A

P

P

T

T

I

V

F

F

R

T

D

E

V

V

P

P

P

P

E

K

A

A

R

R

I

I

A

A

Q

Q

E

E

E
|
E

I

I

F

F

G

G

P

P

V

V

L

L

A

S

F

V

L

I

K

R

A

V

K

K

D

D

F

F

D

A

E

E

A

A

L

L

R

E

I

V

A

A

N

N

G

D

T

T

Q

P

Y

Y

G

G

L

L

T

T

G

G

G

G

V

V

Y

Y

S

S

R

R

N

K

R

R

A

E

H

H

L

L

E

E

Q

W

A

A

R

R

R

R

E

E

F

F

E

H

V

V

G

G

N

N

L

L

Y

Y

F

F

N

N

R

R

K

K

I

I

T

T

G
|
G

A
|
A

L

L

V

V

G

G

A

V

H

Q

P

P

F
|
F

G

G

G

G

F

F

H

K

M

L

S

S

G

G

T

T

D

N

S

A

K

K

A
x
T

G

G

G

A

Q

L

D

D

Y

Y

L

L

L

R

L

L

L

F

T

L

Q

E

A

M

K

K

V

A

V

V

S

A

E

E

R

R

F

F

active site: N184 (= N184), K207 (= K207), E288 (= E288), C322 (= C322), E417 (= E418), T497 (≠ A498)
binding proline: E137 (= E138), F185 (= F185), S323 (= S323), G477 (= G478), A478 (= A479), F485 (= F486)

5ur2B Crystal structure of proline utilization a (puta) from bdellovibrio bacteriovorus inactivated by n-propargylglycine (see paper)
48% identity, 99% coverage: 7:516/517 of query aligns to 441:949/959 of 5ur2B

query
sites
5ur2B

F

F

R

Y

N

N

E

E

P

P

L

L

T

L

N

D

F

F

Q

A

D

V

P

K

A

A

F

D

H

R

R

E

A

K

M

M

K

L

D

K

A

A

L

L

E

A

D

E

V

A

R

K

R

A

G

S

F

L

G

P

R

V

E

N

Y

V

P

N

M

I

R

V

I

I

D

N

G

N

R

K

D

E

R

L

F

Q

S

S

G

G

H

K

W

I

I

F

R

D

S

R

A

V

D

N

P

P

S

S

R

Q

P

S

K

D

E

Q

L

I

V

V

G

G

Q

K

V

I

A

Q

A

M

A

A

T

T

R

T

E

E

D

Q

A

A

M

E

D

Q

A

A

V

M

E

Q

G

A

A

A

W

Q

S

T

A

A

F

Y

K

K

S

T

W

W

S

K

R

N

V

V

P

P

A

C

E

E

A

Q

R

R

A

A

R

A

C

L

L

V

F

D

K

K

A

L

A

A

A

D

I

I

M

M

R

T

R

R

R

D

K

R

F

F

H

K

L

L

A

I

A

A

L

T

M

Q

C

V

F

L

E

E

V

V

G

G

K

K

T

P

W

W

S

A

E

E

A

A

D

D

A

G

D

D

V

I

A

G

E

E

A

A

I

I

D

D

F

F

L

C

E

R

F

Y

Y

Y

G

A

R

R

E

H

M

M

I

R

R

E

L

L

A

Q

R

K

P

P

H

L

P

R

L

V

T

G

R

G

I

L

Q

P

G

G

E

E

D

L

N

S

E

H

V

Y

T

I

Y

Y

E

K

P

S

L

R

G

G

V

V

G

T

V

A

V

V

I

I

P

A

P

P

W

W

N
|
N

F

F

P

P

L

L

A

A

I

I

L

L

T

A

G

G

M

M

T

V

V

T

S

A

S

A

V

A

V

V

A

A

G

G

N

N

A

T

V

V

V

V

L

M

K
|
K

P

P

A

A

S

E

A

Q

S

S

P

T

V

V

I

V

A

A

A

W

E

G

F

L

A

M

K

K

I

M

M

I

E

Q

E

E

A

A

G

G

I

F

P

P

P

Q

G

G

V

V

I

I

Q

N

F

F

L

L

P

P

G

G

S

Y

G

G

G

E

E

E

I

V

G

G

D

E

V

Y

L

I

V

V

S

N

H

H

P

K

Q

Y

V

T

R

T

F

T

V

I

T

A

F

F

T

T

G

G

S

S

R

K

D

A

V

V

G

G

V

L

H

H

I

I

Y

M

E

N

L

R

A

A

A

A

K

V

V

V

Q

Q

P

P

G

G

Q

Q

K

Q

W

H

L

V

K

K

R

R

V

C

I

I

A

I

E
|
E

M

M

G

G

G

G

K

K

D

N

A

A

I

V

I

I

V

I

D

D

S

N

D

D

A

A

D

D

L

L

D

D

D

E

A

A

A

V

A

D

G

G

I

V

V

I

T

Y

S

S

A

A

F

F

G

G

F

F

A

S

G

G

Q

Q

K

K

C
|
C

S

S

A

A

C

A

S

S

R

R

V

V

I

I

A

V

L

L

D

D

D

E

V

V

Y

Y

E

D

P

R

I

F

L

V

E

D

R

R

V

L

R

V

A

E

L

T

T

A

E

K

R

S

L

I

K

E

V

I

A

H

P

P

A

A

D

E

L

N

E

P

E

K

A

A

S

Y

Y

M

G

G

P

P

V

V

V

V

D

D

R

K

A

E

A

A

Y

Y

D

D

K

R

V

I

L

L

Q

G

Y

T

I

I

E

A

I

E

G

A

Q

E

T

K

E

N

G

H

Q

K

L

L

V

L

T

F

G

K

G

G

G

S

P

-

A

V

E

P

G

G

D

G

G

G

Y

F

F

F

I

A

K

P

P

P

T

T

I

I

F

F

R

G

D

D

V

V

P

P

P

G

E

D

A

A

R

K

I

L

A

A

Q

Q

E

A

E
|
E

I

I

F

F

G

G

P

P

V

V

L

V

A

A

F

V

L

I

K

R

A

A

K

K

D

N

F

L

D

D

E

Q

A

A

L

L

R

D

I

I

A

A

N

N

G

S

T

T

Q

E

Y

Y

G

A

L

L

T

T

G

G

G

G

V

V

Y

F

S

S

R

R

N

S

R

P

A

A

H

N

L

I

E

N

Q

R

A

V

R

K

R

E

E

E

F

L

E

E

V

V

G

G

N

N

L

L

Y

Y

F

V

N

N

R

R

K

G

I

I

T

T

G

G

A

A

L

M

V

V

G

D

A

R

H

H

P

P

F

F

G

G

G

G

F

F

H

K

M

M

S

S

G

G

T

I

D

G

S

S

K

K

A
x
T

G

G

G

G

Q

P

D

D

Y

Y

L

L

L

K

L

Q

L

Y

T

M

Q

E

A

P

K

A

V

C

V

V

S

T

E

E

R

N

active site: N618 (= N184), K641 (= K207), E722 (= E288), C756 (= C322), E851 (= E418), T931 (≠ A498)

Sites not aligning to the query:

binding N-propargylglycine-modified flavin adenine dinucleotide: 174, 215, 216, 249, 278, 279, 280, 281, 283, 300, 301, 302, 303, 306, 329, 330, 331, 332, 356, 357, 358, 379, 398, 403, 405

4nmfA Crystal structure of proline utilization a (puta) from geobacter sulfurreducens pca inactivated by n-propargylglycine and complexed with menadione bisulfite (see paper)
48% identity, 98% coverage: 7:515/517 of query aligns to 448:956/973 of 4nmfA

query
sites
4nmfA

F

F

R

N

N

N

E

E

P

A

L

M

T

V

N

D

F

F

Q

T

D

R

P

A

A

D

F

H

H

R

R

A

A

A

M

F

K

P

D

K

A

H

L

I

E

A

D

Q

V

V

R

R

R

T

G

Q

F

L

G

G

R

K

E

T

Y

Y

P

P

M

L

R

F

I

I

D

N

G

G

R

K

D

E

R

V

F

R

S

T

G

N

H

D

W

L

I

I

R

P

S

T

A

V

D

N

P

P

S

N

R

K

P

P

K

S

E

E

L

V

V

L

G

G

Q

Q

V

I

A

C

A

Q

A

A

T

G

R

T

E

T

D

E

A

V

M

G

D

D

A

A

V

I

E

A

G

A

A

A

W

K

S

A

A

A

F

F

K

P

S

A

W

W

S

R

R

D

V

T

P

D

A

P

E

R

A

T

R

R

A

A

R

E

C

Y

L

L

F

L

K

K

A

A

A

A

A

Q

I

A

M

A

R

R

R

K

R

R

K

L

F

F

H

E

L

L

A

S

A

A

L

W

M

Q

C

V

F

L

E

E

V

I

G

G

K

K

T

Q

W

W

S

D

E

Q

A

A

D

Y

A

A

D

D

V

V

A

T

E

E

A

A

I

I

D

D

F

F

L

L

E

E

F

Y

Y

Y

G

A

R

R

E

E

M

M

I

I

R

R

L

L

A

G

R

Q

P

P

H

Q

P

R

L

V

T

G

R

H

I

A

Q

P

G

G

E

E

D

L

N

N

E

H

V

Y

T

F

Y

Y

E

E

P

P

L

K

G

G

V

V

G

A

V

A

V

V

I

I

P

A

P

P

W

W

N
|
N

F

F

P

P

L

L

A

A

I

I

L

S

T

M

G

G

M

M

T

A

V

S

S

A

S

A

V

I

V

V

A

T

G

G

N

N

A

C

V

V

V

V

L

F

K
|
K

P

P

A

S

S

G

A

I

S

T

P

S

V

I

I

I

A

G

A

W

E

H

F

L

A

V

K

E

I

L

M

F

E

R

E

E

A

A

G

G

I

L

P

P

P

E

G

G

V

V

I

F

Q

N

F

F

L

T

P

P

G

G

S

R

G

G

G

S

E

V

I

M

G

G

D

D

V

Y

L

L

V

V

S

D

H

H

P

P

Q

D

V

I

R

S

F

L

V

I

T

A

F

F

T

T

G

G

S

S

R

M

D

E

V

T

G

G

V

L

H

R

I

I

Y

I

E

E

L

R

A

A

A

A

K

K

V

V

Q

H

P

P

G

G

Q

Q

K

A

W

N

L

V

K

K

R

K

V

I

I

I

A

S

E
|
E

M

M

G

G

G

G

K

K

D

N

A

A

I

I

I

I

V

I

D

D

S

D

D

D

A

A

D

D

L

L

D

D

D

E

A

A

A

V

A

P

G

H

I

V

V

L

T

Y

S

S

A

A

F

F

G

G

F

F

A

Q

G

G

Q

Q

K

K

C
|
C

S

S

A

A

C

C

S

S

R

R

V

V

I

I

A

V

L

L

D

D

D

A

V

V

Y

Y

E

D

P

K

I

F

L

I

E

E

R

R

V

L

R

V

A

S

L

M

T

A

E

K

R

A

L

T

K

K

V

V

A

G

P

P

A

S

D

E

L

D

E

P

E

A

A

N

S

Y

Y

M

G

G

P

A

V

V

V

A

D

D

R

D

A

K

A

A

Y

M

D

K

K

S

V

I

L

K

Q

E

Y

Y

I

A

E

E

I

I

G

G

Q

K

T

R

E

E

G

G

Q

H

L

V

V

L

T

Y

G

E

G

S

G

P

P

V

A

P

E

A

G

G

D

E

G

G

Y

Y

F

F

I

V

K

P

P

M

T

T

I

I

F

I

R

G

D

G

V

I

P

K

P

P

E

E

A

H

R

R

I

I

A

A

Q

Q

E

E

E
|
E

I

I

F

F

G

G

P

P

V

V

L

L

A

A

F

V

L

M

K

R

A

A

K

K

D

D

F

F

D

D

E

Q

A

A

L

I

R

E

I

W

A

A

N

N

G

S

T

T

Q

Q

Y

F

G

A

L

L

T

T

G

G

G

G

V

I

Y

F

S

S

R

R

N

S

R

P

A

E

H

H

L

L

E

A

Q

K

A

A

R

R

R

R

E

E

F

F

E

R

V

V

G

G

N

N

L

L

Y

Y

F

I

N

N

R

R

K

N

I

N

T

T

G

G

A

A

L

L

V

V

G

E

A

R

H

Q

P

P

F

F

G

G

G

G

F

A

H

R

M

M

S

S

G

G

T

V

D

G

S

T

K

K

A
|
A

G

G

G

G

Q

P

D

D

Y

Y

L

L

L

L

L

H

L

F

T

M

Q

D

A

P

K

R

V

V

V

V

S

T

E

E

active site: N625 (= N184), K648 (= K207), E729 (= E288), C763 (= C322), E859 (= E418), A939 (= A498)

Sites not aligning to the query:

binding (2R)-2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonic acid: 181, 287, 384, 396, 399, 400
binding N-propargylglycine-modified flavin adenine dinucleotide: 181, 222, 223, 252, 254, 281, 283, 284, 285, 286, 288, 305, 306, 307, 308, 311, 334, 335, 336, 337, 361, 362, 363, 384, 403, 408, 410

7na0A Structure of geobacter sulfurreducens proline utilization a (puta) variant a206w (see paper)
48% identity, 98% coverage: 7:515/517 of query aligns to 455:963/981 of 7na0A

query
sites
7na0A

F

F

R

N

N

N

E

E

P

A

L

M

T

V

N

D

F

F

Q

T

D

R

P

A

A

D

F

H

H

R

R

A

A

A

M

F

K

P

D

K

A

H

L

I

E

A

D

Q

V

V

R

R

R

T

G

Q

F

L

G

G

R

K

E

T

Y

Y

P

P

M

L

R

F

I

I

D

N

G

G

R

K

D

E

R

V

F

R

S

T

G

N

H

D

W

L

I

I

R

P

S

T

A

V

D

N

P

P

S

N

R

K

P

P

K

S

E

E

L

V

V

L

G

G

Q

Q

V

I

A

C

A

Q

A

A

T

G

R

T

E

T

D

E

A

V

M

G

D

D

A

A

V

I

E

A

G

A

A

A

W

K

S

A

A

A

F

F

K

P

S

A

W

W

S

R

R

D

V

T

P

D

A

P

E

R

A

T

R

R

A

A

R

E

C

Y

L

L

F

L

K

K

A

A

A

A

A

Q

I

A

M

A

R

R

R

K

R

R

K

L

F

F

H

E

L

L

A

S

A

A

L

W

M

Q

C

V

F

L

E

E

V

I

G

G

K

K

T

Q

W

W

S

D

E

Q

A

A

D

Y

A

A

D

D

V

V

A

T

E

E

A

A

I

I

D

D

F

F

L

L

E

E

F

Y

Y

Y

G

A

R

R

E

E

M

M

I

I

R

R

L

L

A

G

R

Q

P

P

H

Q

P

R

L

V

T

G

R

H

I

A

Q

P

G

G

E

E

D

L

N

N

E

H

V

Y

T

F

Y

Y

E

E

P

P

L

K

G

G

V

V

G

A

V

A

V

V

I

I

P

A

P

P

W

W

N

N

F

F

P

P

L

L

A

A

I

I

L

S

T

M

G

G

M

M

T

A

V

S

S

A

S

A

V

I

V

V

A

T

G

G

N

N

A

C

V

V

V

V

L

F

K

K

P

P

A

S

S

G

A

I

S

T

P

S

V

I

I

I

A

G

A

W

E

H

F

L

A

V

K

E

I

L

M

F

E

R

E

E

A

A

G

G

I

L

P

P

P

E

G

G

V

V

I

F

Q

N

F

F

L

T

P

P

G

G

S

R

G

G

G

S

E

V

I

M

G

G

D

D

V

Y

L

L

V

V

S

D

H

H

P

P

Q

D

V

I

R

S

F

L

V

I

T

A

F

F

T

T

G

G

S

S

R

M

D

E

V

T

G

G

V

L

H

R

I

I

Y

I

E

E

L

R

A

A

A

A

K

K

V

V

Q

H

P

P

G

G

Q

Q

K

A

W

N

L

V

K

K

R

K

V

I

I

I

A

S

E

E

M

M

G

G

G

G

K

K

D

N

A

A

I

I

I

I

V

I

D

D

S

D

D

D

A

A

D

D

L

L

D

D

D

E

A

A

A

V

A

P

G

H

I

V

V

L

T

Y

S

S

A

A

F

F

G

G

F

F

A

Q

G

G

Q

Q

K

K

C

C

S

S

A

A

C

C

S

S

R

R

V

V

I

I

A

V

L

L

D

D

D

A

V

V

Y

Y

E

D

P

K

I

F

L

I

E

E

R

R

V

L

R

V

A

S

L

M

T

A

E

K

R

A

L

T

K

K

V

V

A

G

P

P

A

S

D

E

L

D

E

P

E

A

A

N

S

Y

Y

M

G

G

P

A

V

V

V

A

D

D

R

D

A

K

A

A

Y

M

D

K

K

S

V

I

L

K

Q

E

Y

Y

I

A

E

E

I

I

G

G

Q

K

T

R

E

E

G

G

Q

H

L

V

V

L

T

Y

G

E

G

S

G

P

P

V

A

P

E

A

G

G

D

E

G

G

Y

Y

F

F

I

V

K

P

P

M

T

T

I

I

F

I

R

G

D

G

V

I

P

K

P

P

E

E

A

H

R

R

I

I

A

A

Q

Q

E

E

E

E

I

I

F

F

G

G

P

P

V

V

L

L

A

A

F

V

L

M

K

R

A

A

K

K

D

D

F

F

D

D

E

Q

A

A

L

I

R

E

I

W

A

A

N

N

G

S

T

T

Q

Q

Y

F

G

A

L

L

T

T

G

G

G

G

V

I

Y

F

S

S

R

R

N

S

R

P

A

E

H

H

L

L

E

A

Q

K

A

A

R

R

R

R

E

E

F

F

E

R

V

V

G

G

N

N

L

L

Y

Y

F

I

N

N

R

R

K

N

I

N

T

T

G

G

A

A

L

L

V

V

G

E

A

R

H

Q

P

P

F

F

G

G

G

G

F

A

H

R

M

M

S

S

G

G

T

V

D

G

S

T

K

K

A

A

G

G

G

G

Q

P

D

D

Y

Y

L

L

L

L

L

H

L

F

T

M

Q

D

A

P

K

R

V

V

V

V

S

T

E

E

Sites not aligning to the query:

binding flavin-adenine dinucleotide: 226, 227, 256, 258, 285, 287, 288, 289, 290, 291, 292, 309, 310, 311, 312, 315, 338, 339, 340, 341, 367, 388, 407, 413, 414

4nmfB Crystal structure of proline utilization a (puta) from geobacter sulfurreducens pca inactivated by n-propargylglycine and complexed with menadione bisulfite (see paper)
48% identity, 98% coverage: 7:515/517 of query aligns to 454:962/979 of 4nmfB

query
sites
4nmfB

F

F

R

N

N

N

E

E

P

A

L

M

T

V

N

D

F

F

Q

T

D

R

P

A

A

D

F

H

H

R

R

A

A

A

M

F

K

P

D

K

A

H

L

I

E

A

D

Q

V

V

R

R

R

T

G

Q

F

L

G

G

R

K

E

T

Y

Y

P

P

M

L

R

F

I

I

D

N

G

G

R

K

D

E

R

V

F

R

S

T

G

N

H

D

W

L

I

I

R

P

S

T

A

V

D

N

P

P

S

N

R

K

P

P

K

S

E

E

L

V

V

L

G

G

Q

Q

V

I

A

C

A

Q

A

A

T

G

R

T

E

T

D

E

A

V

M

G

D

D

A

A

V

I

E

A

G

A

A

A

W

K

S

A

A

A

F

F

K

P

S

A

W

W

S

R

R

D

V

T

P

D

A

P

E

R

A

T

R

R

A

A

R

E

C

Y

L

L

F

L

K

K

A

A

A

A

A

Q

I

A

M

A

R

R

R

K

R

R

K

L

F

F

H

E

L

L

A

S

A

A

L

W

M

Q

C

V

F

L

E

E

V

I

G

G

K

K

T

Q

W

W

S

D

E

Q

A

A

D

Y

A

A

D

D

V

V

A

T

E

E

A

A

I

I

D

D

F

F

L

L

E

E

F

Y

Y

Y

G

A

R

R

E

E

M

M

I

I

R

R

L

L

A

G

R

Q

P

P

H

Q

P

R

L

V

T

G

R

H

I

A

Q

P

G

G

E

E

D

L

N

N

E

H

V

Y

T

F

Y

Y

E

E

P

P

L

K

G

G

V

V

G

A

V

A

V

V

I

I

P

A

P

P

W

W

N
|
N

F

F

P

P

L

L

A

A

I

I

L

S

T

M

G

G

M

M

T

A

V

S

S

A

S

A

V

I

V

V

A

T

G

G

N

N

A

C

V

V

V

V

L

F

K
|
K

P

P

A

S

S

G

A

I

S

T

P

S

V

I

I

I

A

G

A

W

E

H

F

L

A

V

K

E

I

L

M

F

E

R

E

E

A

A

G

G

I

L

P

P

P

E

G

G

V

V

I

F

Q

N

F

F

L

T

P

P

G

G

S

R

G

G

G

S

E

V

I

M

G

G

D

D

V

Y

L

L

V

V

S

D

H

H

P

P

Q

D

V

I

R

S

F

L

V

I

T

A

F

F

T

T

G

G

S

S

R

M

D

E

V

T

G

G

V

L

H

R

I

I

Y

I

E

E

L

R

A

A

A

A

K

K

V

V

Q

H

P

P

G

G

Q

Q

K

A

W

N

L

V

K

K

R

K

V

I

I

I

A

S

E
|
E

M

M

G

G

G

G

K

K

D

N

A

A

I

I

I

I

V

I

D

D

S

D

D

D

A

A

D

D

L

L

D

D

D

E

A

A

A

V

A

P

G

H

I

V

V

L

T

Y

S

S

A

A

F

F

G

G

F

F

A

Q

G

G

Q

Q

K

K

C
|
C

S

S

A

A

C

C

S

S

R

R

V

V

I

I

A

V

L

L

D

D

D

A

V

V

Y

Y

E

D

P

K

I

F

L

I

E

E

R

R

V

L

R

V

A

S

L

M

T

A

E

K

R

A

L

T

K

K

V

V

A

G

P

P

A

S

D

E

L

D

E

P

E

A

A

N

S

Y

Y

M

G

G

P

A

V

V

V

A

D

D

R

D

A

K

A

A

Y

M

D

K

K

S

V

I

L

K

Q

E

Y

Y

I

A

E

E

I

I

G

G

Q

K

T

R

E

E

G

G

Q

H

L

V

V

L

T

Y

G

E

G

S

G

P

P

V

A

P

E

A

G

G

D

E

G

G

Y

Y

F

F

I

V

K

P

P

M

T

T

I

I

F

I

R

G

D

G

V

I

P

K

P

P

E

E

A

H

R

R

I

I

A

A

Q

Q

E

E

E
|
E

I

I

F

F

G

G

P

P

V

V

L

L

A

A

F

V

L

M

K

R

A

A

K

K

D

D

F

F

D

D

E

Q

A

A

L

I

R

E

I

W

A

A

N

N

G

S

T

T

Q

Q

Y

F

G

A

L

L

T

T

G

G

G

G

V

I

Y

F

S

S

R

R

N

S

R

P

A

E

H

H

L

L

E

A

Q

K

A

A

R

R

R

R

E

E

F

F

E

R

V

V

G

G

N

N

L

L

Y

Y

F

I

N

N

R

R

K

N

I

N

T

T

G

G

A

A

L

L

V

V

G

E

A

R

H

Q

P

P

F

F

G

G

G

G

F

A

H

R

M

M

S

S

G

G

T

V

D

G

S

T

K

K

A
|
A

G

G

G

G

Q

P

D

D

Y

Y

L

L

L

L

L

H

L

F

T

M

Q

D

A

P

K

R

V

V

V

V

S

T

E

E

active site: N631 (= N184), K654 (= K207), E735 (= E288), C769 (= C322), E865 (= E418), A945 (= A498)

Sites not aligning to the query:

binding (2R)-2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonic acid: 184, 290, 387, 399, 402, 403
binding (2S)-2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonic acid: 184, 366, 399, 402
binding N-propargylglycine-modified flavin adenine dinucleotide: 184, 225, 226, 255, 257, 284, 286, 287, 288, 289, 291, 308, 309, 310, 311, 314, 337, 338, 339, 340, 364, 366, 387, 406, 411, 412, 413

4nmeA Crystal structure of proline utilization a (puta) from geobacter sulfurreducens pca inactivated by n-propargylglycine (see paper)
48% identity, 98% coverage: 7:515/517 of query aligns to 447:955/972 of 4nmeA

query
sites
4nmeA

F

F

R

N

N

N

E

E

P

A

L

M

T

V

N

D

F

F

Q

T

D

R

P

A

A

D

F

H

H

R

R

A

A

A

M

F

K

P

D

K

A

H

L

I

E

A

D

Q

V

V

R

R

R

T

G

Q

F

L

G

G

R

K

E

T

Y

Y

P

P

M

L

R

F

I

I

D

N

G

G

R

K

D

E

R

V

F

R

S

T

G

N

H

D

W

L

I

I

R

P

S

T

A

V

D

N

P

P

S

N

R

K

P

P

K

S

E

E

L

V

V

L

G

G

Q

Q

V

I

A

C

A

Q

A

A

T

G

R

T

E

T

D

E

A

V

M

G

D

D

A

A

V

I

E

A

G

A

A

A

W

K

S

A

A

A

F

F

K

P

S

A

W

W

S

R

R

D

V

T

P

D

A

P

E

R

A

T

R

R

A

A

R

E

C

Y

L

L

F

L

K

K

A

A

A

A

A

Q

I

A

M

A

R

R

R

K

R

R

K

L

F

F

H

E

L

L

A

S

A

A

L

W

M

Q

C

V

F

L

E

E

V

I

G

G

K

K

T

Q

W

W

S

D

E

Q

A

A

D

Y

A

A

D

D

V

V

A

T

E

E

A

A

I

I

D

D

F

F

L

L

E

E

F

Y

Y

Y

G

A

R

R

E

E

M

M

I

I

R

R

L

L

A

G

R

Q

P

P

H

Q

P

R

L

V

T

G

R

H

I

A

Q

P

G

G

E

E

D

L

N

N

E

H

V

Y

T

F

Y

Y

E

E

P

P

L

K

G

G

V

V

G

A

V

A

V

V

I

I

P

A

P

P

W

W

N
|
N

F

F

P

P

L

L

A

A

I

I

L

S

T

M

G

G

M

M

T

A

V

S

S

A

S

A

V

I

V

V

A

T

G

G

N

N

A

C

V

V

V

V

L

F

K
|
K

P

P

A

S

S

G

A

I

S

T

P

S

V

I

I

I

A

G

A

W

E

H

F

L

A

V

K

E

I

L

M

F

E

R

E

E

A

A

G

G

I

L

P

P

P

E

G

G

V

V

I

F

Q

N

F

F

L

T

P

P

G

G

S

R

G

G

G

S

E

V

I

M

G

G

D

D

V

Y

L

L

V

V

S

D

H

H

P

P

Q

D

V

I

R

S

F

L

V

I

T

A

F

F

T

T

G

G

S

S

R

M

D

E

V

T

G

G

V

L

H

R

I

I

Y

I

E

E

L

R

A

A

A

A

K

K

V

V

Q

H

P

P

G

G

Q

Q

K

A

W

N

L

V

K

K

R

K

V

I

I

I

A

S

E
|
E

M

M

G

G

G

G

K

K

D

N

A

A

I

I

I

I

V

I

D

D

S

D

D

D

A

A

D

D

L

L

D

D

D

E

A

A

A

V

A

P

G

H

I

V

V

L

T

Y

S

S

A

A

F

F

G

G

F

F

A

Q

G

G

Q

Q

K

K

C
|
C

S

S

A

A

C

C

S

S

R

R

V

V

I

I

A

V

L

L

D

D

D

A

V

V

Y

Y

E

D

P

K

I

F

L

I

E

E

R

R

V

L

R

V

A

S

L

M

T

A

E

K

R

A

L

T

K

K

V

V

A

G

P

P

A

S

D

E

L

D

E

P

E

A

A

N

S

Y

Y

M

G

G

P

A

V

V

V

A

D

D

R

D

A

K

A

A

Y

M

D

K

K

S

V

I

L

K

Q

E

Y

Y

I

A

E

E

I

I

G

G

Q

K

T

R

E

E

G

G

Q

H

L

V

V

L

T

Y

G

E

G

S

G

P

P

V

A

P

E

A

G

G

D

E

G

G

Y

Y

F

F

I

V

K

P

P

M

T

T

I

I

F

I

R

G

D

G

V

I

P

K

P

P

E

E

A

H

R

R

I

I

A

A

Q

Q

E

E

E
|
E

I

I

F

F

G

G

P

P

V

V

L

L

A

A

F

V

L

M

K

R

A

A

K

K

D

D

F

F

D

D

E

Q

A

A

L

I

R

E

I

W

A

A

N

N

G

S

T

T

Q

Q

Y

F

G

A

L

L

T

T

G

G

G

G

V

I

Y

F

S

S

R

R

N

S

R

P

A

E

H

H

L

L

E

A

Q

K

A

A

R

R

R

R

E

E

F

F

E

R

V

V

G

G

N

N

L

L

Y

Y

F

I

N

N

R

R

K

N

I

N

T

T

G

G

A

A

L

L

V

V

G

E

A

R

H

Q

P

P

F

F

G

G

G

G

F

A

H

R

M

M

S

S

G

G

T

V

D

G

S

T

K

K

A
|
A

G

G

G

G

Q

P

D

D

Y

Y

L

L

L

L

L

H

L

F

T

M

Q

D

A

P

K

R

V

V

V

V

S

T

E

E

active site: N624 (= N184), K647 (= K207), E728 (= E288), C762 (= C322), E858 (= E418), A938 (= A498)

Sites not aligning to the query:

binding N-propargylglycine-modified flavin adenine dinucleotide: 183, 224, 225, 254, 256, 283, 285, 286, 287, 288, 290, 307, 308, 309, 310, 313, 336, 337, 338, 339, 363, 365, 383, 402, 409

4nmcA Crystal structure of oxidized proline utilization a (puta) from geobacter sulfurreducens pca complexed with zwittergent 3-12 (see paper)
48% identity, 98% coverage: 7:515/517 of query aligns to 417:925/941 of 4nmcA

query
sites
4nmcA

F

F

R

N

N

N

E

E

P

A

L

M

T

V

N

D

F

F

Q

T

D

R

P

A

A

D

F

H

H

R

R

A

A

A

M

F

K

P

D

K

A

H

L

I

E

A

D

Q

V

V

R

R

R

T

G

Q

F

L

G

G

R

K

E

T

Y

Y

P

P

M

L

R

F

I

I

D

N

G

G

R

K

D

E

R

V

F

R

S

T

G

N

H

D

W

L

I

I

R

P

S

T

A

V

D

N

P

P

S

N

R

K

P

P

K

S

E

E

L

V

V

L

G

G

Q

Q

V

I

A

C

A

Q

A

A

T

G

R

T

E

T

D

E

A

V

M

G

D

D

A

A

V

I

E

A

G

A

A

A

W

K

S

A

A

A

F

F

K

P

S

A

W

W

S

R

R

D

V

T

P

D

A

P

E

R

A

T

R

R

A

A

R

E

C

Y

L

L

F

L

K

K

A

A

A

A

A

Q

I

A

M

A

R

R

R

K

R

R

K

L

F

F

H

E

L

L

A

S

A

A

L

W

M

Q

C

V

F

L

E

E

V

I

G

G

K

K

T

Q

W

W

S

D

E

Q

A

A

D

Y

A

A

D

D

V

V

A

T

E

E

A

A

I

I

D

D

F

F

L

L

E

E

F

Y

Y

Y

G

A

R

R

E

E

M

M

I

I

R

R

L

L

A

G

R

Q

P

P

H

Q

P

R

L

V

T

G

R

H

I

A

Q

P

G

G

E

E

D

L

N

N

E

H

V

Y

T

F

Y

Y

E

E

P

P

L

K

G

G

V

V

G

A

V

A

V

V

I

I

P

A

P

P

W

W

N
|
N

F

F

P

P

L

L

A

A

I

I

L

S

T

M

G

G

M

M

T

A

V

S

S

A

S

A

V

I

V

V

A

T

G

G

N

N

A

C

V

V

V

V

L

F

K
|
K

P

P

A

S

S

G

A

I

S

T

P

S

V

I

I

I

A

G

A

W

E

H

F

L

A

V

K

E

I

L

M

F

E

R

E

E

A

A

G

G

I

L

P

P

P

E

G

G

V

V

I

F

Q

N

F

F

L

T

P

P

G

G

S

R

G

G

G

S

E

V

I

M

G

G

D

D

V

Y

L

L

V

V

S

D

H

H

P

P

Q

D

V

I

R

S

F

L

V

I

T

A

F

F

T

T

G

G

S

S

R

M

D

E

V

T

G

G

V

L

H

R

I

I

Y

I

E

E

L

R

A

A

A

A

K

K

V

V

Q

H

P

P

G

G

Q

Q

K

A

W

N

L

V

K

K

R

K

V

I

I

I

A

S

E
|
E

M

M

G

G

G

G

K

K

D

N

A

A

I

I

I

I

V

I

D

D

S

D

D

D

A

A

D

D

L

L

D

D

D

E

A

A

A

V

A

P

G

H

I

V

V

L

T

Y

S

S

A

A

F

F

G

G

F

F

A

Q

G

G

Q

Q

K

K

C
|
C

S

S

A

A

C

C

S

S

R

R

V

V

I

I

A

V

L

L

D

D

D

A

V

V

Y

Y

E

D

P

K

I

F

L

I

E

E

R

R

V

L

R

V

A

S

L

M

T

A

E

K

R

A

L

T

K

K

V

V

A

G

P

P

A

S

D

E

L

D

E

P

E

A

A

N

S

Y

Y

M

G

G

P

A

V

V

V

A

D

D

R

D

A

K

A

A

Y

M

D

K

K

S

V

I

L

K

Q

E

Y

Y

I

A

E

E

I

I

G

G

Q

K

T

R

E

E

G

G

Q

H

L

V

V

L

T

Y

G

E

G

S

G

P

P

V

A

P

E

A

G

G

D

E

G

G

Y

Y

F

F

I

V

K

P

P

M

T

T

I

I

F

I

R

G

D

G

V

I

P

K

P

P

E

E

A

H

R

R

I

I

A

A

Q

Q

E

E

E
|
E

I

I

F

F

G

G

P

P

V

V

L

L

A

A

F

V

L

M

K

R

A

A

K

K

D

D

F

F

D

D

E

Q

A

A

L

I

R

E

I

W

A

A

N

N

G

S

T

T

Q

Q

Y

F

G

A

L

L

T

T

G

G

G

G

V

I

Y

F

S

S

R

R

N

S

R

P

A

E

H

H

L

L

E

A

Q

K

A

A

R

R

R

R

E

E

F

F

E

R

V

V

G

G

N

N

L

L

Y

Y

F

I

N

N

R

R

K

N

I

N

T

T

G

G

A

A

L

L

V

V

G

E

A

R

H

Q

P

P

F

F

G

G

G

G

F

A

H

R

M

M

S

S

G

G

T

V

D

G

S

T

K

K

A
|
A

G

G

G

G

Q

P

D

D

Y

Y

L

L

L

L

L

H

L

F

T

M

Q

D

A

P

K

R

V

V

V

V

S

T

E

E

active site: N594 (= N184), K617 (= K207), E698 (= E288), C732 (= C322), E828 (= E418), A908 (= A498)

Sites not aligning to the query:

binding flavin-adenine dinucleotide: 215, 216, 245, 247, 274, 276, 277, 278, 279, 281, 298, 299, 300, 301, 304, 327, 328, 329, 330, 356, 377

4nmdA Crystal structure of proline utilization a (puta) from geobacter sulfurreducens pca reduced with dithionite (see paper)
48% identity, 98% coverage: 7:515/517 of query aligns to 454:962/979 of 4nmdA

query
sites
4nmdA

F

F

R

N

N

N

E

E

P

A

L

M

T

V

N

D

F

F

Q

T

D

R

P

A

A

D

F

H

H

R

R

A

A

A

M

F

K

P

D

K

A

H

L

I

E

A

D

Q

V

V

R

R

R

T

G

Q

F

L

G

G

R

K

E

T

Y

Y

P

P

M

L

R

F

I

I

D

N

G

G

R

K

D

E

R

V

F

R

S

T

G

N

H

D

W

L

I

I

R

P

S

T

A

V

D

N

P

P

S

N

R

K

P

P

K

S

E

E

L

V

V

L

G

G

Q

Q

V

I

A

C

A

Q

A

A

T

G

R

T

E

T

D

E

A

V

M

G

D

D

A

A

V

I

E

A

G

A

A

A

W

K

S

A

A

A

F

F

K

P

S

A

W

W

S

R

R

D

V

T

P

D

A

P

E

R

A

T

R

R

A

A

R

E

C

Y

L

L

F

L

K

K

A

A

A

A

A

Q

I

A

M

A

R

R

R

K

R

R

K

L

F

F

H

E

L

L

A

S

A

A

L

W

M

Q

C

V

F

L

E

E

V

I

G

G

K

K

T

Q

W

W

S

D

E

Q

A

A

D

Y

A

A

D

D

V

V

A

T

E

E

A

A

I

I

D

D

F

F

L

L

E

E

F

Y

Y

Y

G

A

R

R

E

E

M

M

I

I

R

R

L

L

A

G

R

Q

P

P

H

Q

P

R

L

V

T

G

R

H

I

A

Q

P

G

G

E

E

D

L

N

N

E

H

V

Y

T

F

Y

Y

E

E

P

P

L

K

G

G

V

V

G

A

V

A

V

V

I

I

P

A

P

P

W

W

N
|
N

F

F

P

P

L

L

A

A

I

I

L

S

T

M

G

G

M

M

T

A

V

S

S

A

S

A

V

I

V

V

A

T

G

G

N

N

A

C

V

V

V

V

L

F

K
|
K

P

P

A

S

S

G

A

I

S

T

P

S

V

I

I

I

A

G

A

W

E

H

F

L

A

V

K

E

I

L

M

F

E

R

E

E

A

A

G

G

I

L

P

P

P

E

G

G

V

V

I

F

Q

N

F

F

L

T

P

P

G

G

S

R

G

G

G

S

E

V

I

M

G

G

D

D

V

Y

L

L

V

V

S

D

H

H

P

P

Q

D

V

I

R

S

F

L

V

I

T

A

F

F

T

T

G

G

S

S

R

M

D

E

V

T

G

G

V

L

H

R

I

I

Y

I

E

E

L

R

A

A

A

A

K

K

V

V

Q

H

P

P

G

G

Q

Q

K

A

W

N

L

V

K

K

R

K

V

I

I

I

A

S

E
|
E

M

M

G

G

G

G

K

K

D

N

A

A

I

I

I

I

V

I

D

D

S

D

D

D

A

A

D

D

L

L

D

D

D

E

A

A

A

V

A

P

G

H

I

V

V

L

T

Y

S

S

A

A

F

F

G

G

F

F

A

Q

G

G

Q

Q

K

K

C
|
C

S

S

A

A

C

C

S

S

R

R

V

V

I

I

A

V

L

L

D

D

D

A

V

V

Y

Y

E

D

P

K

I

F

L

I

E

E

R

R

V

L

R

V

A

S

L

M

T

A

E

K

R

A

L

T

K

K

V

V

A

G

P

P

A

S

D

E

L

D

E

P

E

A

A

N

S

Y

Y

M

G

G

P

A

V

V

V

A

D

D

R

D

A

K

A

A

Y

M

D

K

K

S

V

I

L

K

Q

E

Y

Y

I

A

E

E

I

I

G

G

Q

K

T

R

E

E

G

G

Q

H

L

V

V

L

T

Y

G

E

G

S

G

P

P

V

A

P

E

A

G

G

D

E

G

G

Y

Y

F

F

I

V

K

P

P

M

T

T

I

I

F

I

R

G

D

G

V

I

P

K

P

P

E

E

A

H

R

R

I

I

A

A

Q

Q

E

E

E
|
E

I

I

F

F

G

G

P

P

V

V

L

L

A

A

F

V

L

M

K

R

A

A

K

K

D

D

F

F

D

D

E

Q

A

A

L

I

R

E

I

W

A

A

N

N

G

S

T

T

Q

Q

Y

F

G

A

L

L

T

T

G

G

G

G

V

I

Y

F

S

S

R

R

N

S

R

P

A

E

H

H

L

L

E

A

Q

K

A

A

R

R

R

R

E

E

F

F

E

R

V

V

G

G

N

N

L

L

Y

Y

F

I

N

N

R

R

K

N

I

N

T

T

G

G

A

A

L

L

V

V

G

E

A

R

H

Q

P

P

F

F

G

G

G

G

F

A

H

R

M

M

S

S

G

G

T

V

D

G

S

T

K

K

A
|
A

G

G

G

G

Q

P

D

D

Y

Y

L

L

L

L

L

H

L

F

T

M

Q

D

A

P

K

R

V

V

V

V

S

T

E

E

active site: N631 (= N184), K654 (= K207), E735 (= E288), C769 (= C322), E865 (= E418), A945 (= A498)

Sites not aligning to the query:

binding dihydroflavine-adenine dinucleotide: 226, 227, 256, 258, 285, 287, 288, 289, 290, 292, 309, 310, 311, 312, 315, 338, 339, 340, 341, 365, 366, 367, 388, 414

4nmaA Crystal structure of proline utilization a (puta) from geobacter sulfurreducens pca in complex with l-tetrahydro-2-furoic acid (see paper)
48% identity, 98% coverage: 7:515/517 of query aligns to 452:960/977 of 4nmaA

query
sites
4nmaA

F

F

R

N

N

N

E

E

P

A

L

M

T

V

N

D

F

F

Q

T

D

R

P

A

A

D

F

H

H

R

R

A

A

A

M

F

K

P

D

K

A

H

L

I

E

A

D

Q

V

V

R

R

R

T

G

Q

F

L

G

G

R

K

E

T

Y

Y

P

P

M

L

R

F

I

I

D

N

G

G

R

K

D

E

R

V

F

R

S

T

G

N

H

D

W

L

I

I

R

P

S

T

A

V

D

N

P

P

S

N

R

K

P

P

K

S

E

E

L

V

V

L

G

G

Q

Q

V

I

A

C

A

Q

A

A

T

G

R

T

E

T

D

E

A

V

M

G

D

D

A

A

V

I

E

A

G

A

A

A

W

K

S

A

A

A

F

F

K

P

S

A

W

W

S

R

R

D

V

T

P

D

A

P

E

R

A

T

R

R

A

A

R

E

C

Y

L

L

F

L

K

K

A

A

A

A

A

Q

I

A

M

A

R

R

R

K

R

R

K

L

F

F

H

E

L

L

A

S

A

A

L

W

M

Q

C

V

F

L

E

E

V

I

G

G

K

K

T

Q

W

W

S

D

E

Q

A

A

D

Y

A

A

D

D

V

V

A

T

E

E

A

A

I

I

D

D

F

F

L

L

E

E

F

Y

Y

Y

G

A

R

R

E

E

M

M

I

I

R

R

L

L

A

G

R

Q

P

P

H

Q

P

R

L

V

T

G

R

H

I

A

Q

P

G

G

E

E

D

L

N

N

E

H

V

Y

T

F

Y

Y

E

E

P

P

L

K

G

G

V

V

G

A

V

A

V

V

I

I

P

A

P

P

W

W

N
|
N

F

F

P

P

L

L

A

A

I

I

L

S

T

M

G

G

M

M

T

A

V

S

S

A

S

A

V

I

V

V

A

T

G

G

N

N

A

C

V

V

V

V

L

F

K
|
K

P

P

A

S

S

G

A

I

S

T

P

S

V

I

I

I

A

G

A

W

E

H

F

L

A

V

K

E

I

L

M

F

E

R

E

E

A

A

G

G

I

L

P

P

P

E

G

G

V

V

I

F

Q

N

F

F

L

T

P

P

G

G

S

R

G

G

G

S

E

V

I

M

G

G

D

D

V

Y

L

L

V

V

S

D

H

H

P

P

Q

D

V

I

R

S

F

L

V

I

T

A

F

F

T

T

G

G

S

S

R

M

D

E

V

T

G

G

V

L

H

R

I

I

Y

I

E

E

L

R

A

A

A

A

K

K

V

V

Q

H

P

P

G

G

Q

Q

K

A

W

N

L

V

K

K

R

K

V

I

I

I

A

S

E
|
E

M

M

G

G

G

G

K

K

D

N

A

A

I

I

I

I

V

I

D

D

S

D

D

D

A

A

D

D

L

L

D

D

D

E

A

A

A

V

A

P

G

H

I

V

V

L

T

Y

S

S

A

A

F

F

G

G

F

F

A

Q

G

G

Q

Q

K

K

C
|
C

S

S

A

A

C

C

S

S

R

R

V

V

I

I

A

V

L

L

D

D

D

A

V

V

Y

Y

E

D

P

K

I

F

L

I

E

E

R

R

V

L

R

V

A

S

L

M

T

A

E

K

R

A

L

T

K

K

V

V

A

G

P

P

A

S

D

E

L

D

E

P

E

A

A

N

S

Y

Y

M

G

G

P

A

V

V

V

A

D

D

R

D

A

K

A

A

Y

M

D

K

K

S

V

I

L

K

Q

E

Y

Y

I

A

E

E

I

I

G

G

Q

K

T

R

E

E

G

G

Q

H

L

V

V

L

T

Y

G

E

G

S

G

P

P

V

A

P

E

A

G

G

D

E

G

G

Y

Y

F

F

I

V

K

P

P

M

T

T

I

I

F

I

R

G

D

G

V

I

P

K

P

P

E

E

A

H

R

R

I

I

A

A

Q

Q

E

E

E
|
E

I

I

F

F

G

G

P

P

V

V

L

L

A

A

F

V

L

M

K

R

A

A

K

K

D

D

F

F

D

D

E

Q

A

A

L

I

R

E

I

W

A

A

N

N

G

S

T

T

Q

Q

Y

F

G

A

L

L

T

T

G

G

G

G

V

I

Y

F

S

S

R

R

N

S

R

P

A

E

H

H

L

L

E

A

Q

K

A

A

R

R

R

R

E

E

F

F

E

R

V

V

G

G

N

N

L

L

Y

Y

F

I

N

N

R

R

K

N

I

N

T

T

G

G

A

A

L

L

V

V

G

E

A

R

H

Q

P

P

F

F

G

G

G

G

F

A

H

R

M

M

S

S

G

G

T

V

D

G

S

T

K

K

A
|
A

G

G

G

G

Q

P

D

D

Y

Y

L

L

L

L

L

H

L

F

T

M

Q

D

A

P

K

R

V

V

V

V

S

T

E

E

active site: N629 (= N184), K652 (= K207), E733 (= E288), C767 (= C322), E863 (= E418), A943 (= A498)

Sites not aligning to the query:

binding flavin-adenine dinucleotide: 226, 227, 258, 285, 287, 288, 289, 290, 291, 292, 309, 310, 311, 312, 315, 338, 339, 340, 341, 365, 367, 407, 413, 414
binding tetrahydrofuran-2-carboxylic acid: 185, 388, 400, 403, 404

P47895 Retinaldehyde dehydrogenase 3; RALDH-3; RalDH3; Aldehyde dehydrogenase 6; Aldehyde dehydrogenase family 1 member A3; ALDH1A3; EC 1.2.1.36 from Homo sapiens (Human) (see 2 papers)
36% identity, 90% coverage: 50:514/517 of query aligns to 45:504/512 of P47895

query
sites
P47895

S

S

G

G

H

K

W

K

I

F

R

A

S

T

A

C

D

N

P

P

S

S

R

T

P

-

K

R

E

E

L

Q

V

I

G

C

Q

E

V

V

A

E

A

E

A

G

T

D

R

K

E

P

D

D

A

V

M

D

D

K

A

A

V

V

E

E

G

A

A

A

W

Q

S

V

A

A

F

F

K

Q

S

R

-

G

-

S

-

P

W

W

S
x
R

R

R

V

L

P

D

A

A

E

L

A

S

R

R

A

G

R

R

C

L

L

L

F

H

K

Q

A

L

A

A

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I

L

M

V

R

E

R

R

R

D

K

R

F

A

H

T

L

L

A

A

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A

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L

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C

T

F

M

E

D

V

T

G

G

K

K

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W

F

S

L

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H

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F

A

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V

L

A

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E

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A

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I

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F

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L

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Y

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H

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L

V

C

A

C

G

G

N

N

A

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M

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|
K

P

P

A

A

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x
E

A

Q

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P

P

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L

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A

A

A

L

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Y

F

L

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G

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|
G

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|
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N

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N

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A

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G

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N

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-

K

-

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N

A

A

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L

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Y

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A

A

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H

A

P

P

F

F

G

G

G

G

F

F

H

K

M

M

S

S

G

G

T

-

D

N

S

G

K

R

A

E

G

L

G

G

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E

D

Y

Y
x
A

L

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A

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K

K

V

T

V

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S

T

R89 (≠ S92) to C: in MCOP8; does not affect ALDH1A3 expression; results in strongly reduced protein levels; dbSNP:rs397514652
K204 (= K207) binding NAD(+)
E207 (≠ S210) binding NAD(+)
GSTEVG 257:262 (≠ GSRDVG 260:265) binding NAD(+)
Q361 (≠ A369) binding NAD(+)
E411 (= E418) binding NAD(+)
A493 (≠ Y503) to P: in MCOP8; does not affect ALDH1A3 expression; results in strongly reduced protein levels; dbSNP:rs397514653

Sites not aligning to the query:

1 modified: Initiator methionine, Removed
2 modified: N-acetylalanine

7a6qB Crystal structure of human aldehyde dehydrogenase 1a3 in complex with selective nr6 inhibitor compound (see paper)
36% identity, 90% coverage: 50:514/517 of query aligns to 27:486/489 of 7a6qB

query
sites
7a6qB

S

S

G

G

H

K

W

K

I

F

R
x
A

S
x
T

A
x
C

D

N

P
|
P

S

S

R

T

P

-

K

R

E

E

L

Q

V

I

G

C

Q

E

V

V

A

E

A

E

A

G

T

D

R

K

E

P

D

D

A

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M

D

D

K

A

A

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V

E

E

G

A

A

A

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Q

S

V

A

A

F

F

K

Q

S

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-

G

-

S

-

P

W

W

S

R

R

R

V

L

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D

A

A

E

L

A

S

R

R

A

G

R

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C

L

L

L

F

H

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Q

A

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A

A

A

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D

K

R

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A

H

T

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L

A

A

A

A

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E

C

T

F

M

E
x
D

V

T

G

G

K

K

T

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W

F

S

L

E

H

A

A

D

F

-

F

A

I

D

D

V

L

A

E

E
x
G

A

C

I

I

D

R

F

T

L

L

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F

Y

Y

F

G

A

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M

A

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A

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-

H

-

P

-

L

-

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K

R

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I

I

Q

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G

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x
D

D

D

N
|
N

E

V

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V

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C

Y

F

-

T

-

R

-

H

E

E

P

P

L

I

G

G

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V

G

C

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G

V

A

I
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I

P

T

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P

W
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W

N
|
N

F

F

P

P

L

L

A

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G

W

M

K

T

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A

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A

C

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G

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K

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x
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A

A

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K

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A

A

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x
F

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G

G

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I

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G

D

A

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A

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I

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S

S

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Q

Q

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S

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V

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Y

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E

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D

A

A

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A

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A

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C

I

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N

A

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A

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A

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K

E

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G

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V

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Q

A

P

F

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A

F

K

K

D

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F

I

D

E

E

E

A

V

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I

R

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I

R

A

A

N

N

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S

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T

Q

D

Y

Y

G

G

L

L

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A

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A

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F

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K

N

N

R

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L

A

E

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K

A

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A

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E

A

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E

E

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S

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G

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T

L

V

Y

W

F

I

N

N

R

-

K

-

I

C

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G
x
N

A

A

L
|
L

V

Y

G
x
A

A

Q

H

A

P

P

F

F

G

G

G

G

F

F

H

K

M

M

S

S

G

G

T

-

D

N

S

G

K

R

A
x
E

G

L

G

G

Q

E

D

Y

Y

A

L

L

L

A

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E

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Y

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T

Q

E

A

V

K

K

V

T

V

V

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T

active site: N163 (= N184), E262 (= E288), C296 (= C322), E470 (≠ A498)
binding nicotinamide-adenine-dinucleotide: I159 (= I180), W162 (= W183), K186 (= K207), E189 (≠ S210), G219 (= G240), G223 (= G244), S240 (= S261), V243 (= V264), K342 (≠ A368)
binding (3-oxidanylidene-3-sodiooxy-propanoyl)oxysodium: A32 (≠ R55), T33 (≠ S56), C34 (≠ A57), P36 (= P59), D103 (≠ E124), E189 (≠ S210), Q190 (≠ A211), F218 (≠ S239), I339 (≠ V365), D340 (= D366)
binding 3-(2-phenylimidazo[1,2-a]pyridin-6-yl)benzenecarbonitrile: G118 (≠ E138), D141 (≠ E165), N143 (= N167), N451 (≠ G478), L453 (= L480), A455 (≠ G482)

7a6qA Crystal structure of human aldehyde dehydrogenase 1a3 in complex with selective nr6 inhibitor compound (see paper)
36% identity, 90% coverage: 50:514/517 of query aligns to 27:486/489 of 7a6qA

query
sites
7a6qA

S

S

G

G

H

K

W

K

I

F

R

A

S

T

A

C

D

N

P

P

S

S

R

T

P

-

K

R

E

E

L

Q

V

I

G

C

Q

E

V

V

A

E

A

E

A

G

T

D

R

K

E

P

D

D

A

V

M

D

D

K

A

A

V

V

E

E

G

A

A

A

W

Q

S

V

A

A

F

F

K

Q

S

R

-

G

-

S

-

P

W

W

S

R

R

R

V

L

P

D

A

A

E

L

A

S

R

R

A

G

R

R

C

L

L

L

F

H

K

Q

A

L

A

A

A

D

I

L

M

V

R

E

R

R

R

D

K

R

F

A

H

T

L

L

A

A

A

A

L

L

M

E

C

T

F

M

E

D

V

T

G

G

K

K

T

P

W

F

S

L

E

H

A

A

D

F

-

F

A

I

D

D

V

L

A

E

E
x
G

A

C

I

I

D

R

F

T

L

L

E

R

F

Y

Y

F

G

A

R

G

E

W

M

A

I

D

R

K

L

I

A

Q

R

G

P

-

H

-

P

-

L

-

T

K

R

T

I

I

Q

P

G

T

E
x
D

D

D

N
|
N

E

V

V

V

T

C

Y

F

-

T

-

R

-

H

E

E

P

P

L

I

G

G

V

V

G

C

V

G

V

A

I
|
I

P
x
T

P

P

W
|
W

N
|
N

F

F

P

P

L

L

A

L

I

M

L

L

T

V

G

W

M

K

T

L

V

A

S

P

S

A

V

L

V

C

A

C

G

G

N

N

A

T

V

M

V

V

L

L

K
|
K

P

P

A
|
A

S
x
E

A

Q

S

T

P

P

V

L

I

T

A

A

A

L

E

Y

F

L

A

G

K

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I

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M

I

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K

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A

A

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G

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F

P

P

P

P

G

G

V

V

I

V

Q

N

F

I

L

V

P

P

G

G

S

F

G
|
G

G

P

E

T

I

V

G
|
G

D

A

V

A

L

I

V

S

S

S

H

H

P

P

Q

Q

V

I

R

N

F

K

V

I

T

A

F

F

T

T

G

G

S
|
S

R

T

D

E

V
|
V

G

G

V

K

H

L

I

V

Y

K

E

E

L

A

A

A

A

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G

-

Q

-

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L

L

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K

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V

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A

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|
E

M

L

G

G

G

G

K

K

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N

A

P

I

C

I

I

V

V

D

C

S

A

D

D

A

A

D

D

L

L

D

D

D

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A

A

A

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A

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G

C

I

A

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A

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F

F

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F

F

N

A

Q

G

G

Q

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C

C
|
C

S

T

A

A

C

A

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S

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R

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V

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F

A

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V

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K

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K

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K

E

E

G

G

-

A

Q

K

L

L

V

E

T

C

G

G

G

G

G

S

P

A

A

M

E

E

G

D

D

K

G

G

Y

L

F

F

I

I

K

K

P

P

T

T

I

V

F

F

R

S

D

E

V

V

P

T

P

D

E

N

A

M

R

R

I

I

A

A

Q

K

E

E

E

E

I

I

F

F

G

G

P

P

V

V

L

Q

A

P

F

I

L

L

K

K

A

F

K

K

D

S

F

I

D

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E

E

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V

L

I

R

K

I

R

A

A

N

N

G

S

T

T

Q

D

Y

Y

G

G

L

L

T

T

G

A

G

A

V

V

Y

F

S

T

R

K

N

N

R

L

A

D

H

K

L

A

E

L

Q

K

A

L

R

A

R

S

E

A

F

L

E

E

V

S

G

G

N

T

L

V

Y

W

F

I

N

N

R

-

K

-

I

C

T

Y

G
x
N

A

A

L
|
L

V
x
Y

G

A

A

Q

H

A

P

P

F

F

G

G

G

G

F

F

H

K

M

M

S

S

G

G

T

-

D

N

S

G

K

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A
x
E

G

L

G

G

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E

D

Y

Y

A

L

L

L

A

L

E

L

Y

T

T

Q

E

A

V

K

K

V

T

V

V

S

T

active site: N163 (= N184), E262 (= E288), C296 (= C322), E470 (≠ A498)
binding nicotinamide-adenine-dinucleotide: I159 (= I180), T160 (≠ P181), W162 (= W183), K186 (= K207), A188 (= A209), E189 (≠ S210), G219 (= G240), G223 (= G244), S240 (= S261), V243 (= V264), K342 (≠ A368), K346 (= K372)
binding 3-(2-phenylimidazo[1,2-a]pyridin-6-yl)benzenecarbonitrile: G118 (≠ E138), D141 (≠ E165), N143 (= N167), N451 (≠ G478), L453 (= L480), Y454 (≠ V481)

Query Sequence

>WP_041303623.1 NCBI__GCF_000092905.1:WP_041303623.1
MFVLVDFRNEPLTNFQDPAFHRAMKDALEDVRRGFGREYPMRIDGRDRFSGHWIRSADPS
RPKELVGQVAAATREDAMDAVEGAWSAFKSWSRVPAEARARCLFKAAAIMRRRKFHLAAL
MCFEVGKTWSEADADVAEAIDFLEFYGREMIRLARPHPLTRIQGEDNEVTYEPLGVGVVI
PPWNFPLAILTGMTVSSVVAGNAVVLKPASASPVIAAEFAKIMEEAGIPPGVIQFLPGSG
GEIGDVLVSHPQVRFVTFTGSRDVGVHIYELAAKVQPGQKWLKRVIAEMGGKDAIIVDSD
ADLDDAAAGIVTSAFGFAGQKCSACSRVIALDDVYEPILERVRALTERLKVAPADLEEAS
YGPVVDRAAYDKVLQYIEIGQTEGQLVTGGGPAEGDGYFIKPTIFRDVPPEARIAQEEIF
GPVLAFLKAKDFDEALRIANGTQYGLTGGVYSRNRAHLEQARREFEVGNLYFNRKITGAL
VGAHPFGGFHMSGTDSKAGGQDYLLLLTQAKVVSERF

Or try a new SitesBLAST search

SitesBLAST's Database

SitesBLAST's database includes (1) SwissProt entries with experimentally-supported functional features; and (2) protein structures with bound ligands, from the BioLip database.

by Morgan Price, Arkin group
Lawrence Berkeley National Laboratory