SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_054560547.1 NCBI__GCF_001306415.1:WP_054560547.1 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)

O74766 Probable delta-1-pyrroline-5-carboxylate dehydrogenase; P5C dehydrogenase; L-glutamate gamma-semialdehyde dehydrogenase; EC 1.2.1.88 from Schizosaccharomyces pombe (strain 972 / ATCC 24843) (Fission yeast) (see paper)
50% identity, 99% coverage: 6:539/542 of query aligns to 7:545/548 of O74766

query
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O74766

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S391 (≠ Q385) modified: Phosphoserine
S394 (≠ A388) modified: Phosphoserine
S396 (≠ E390) modified: Phosphoserine

4lemC Crystal structure of the delta-pyrroline-5-carboxylate dehydrogenase from mycobacterium tuberculosis (see paper)
48% identity, 99% coverage: 7:541/542 of query aligns to 7:541/544 of 4lemC

query
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4lemC

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active site: N191 (= N190), K213 (= K212), E294 (= E293), C328 (= C327), E426 (= E426), A511 (= A511)
binding cobalamin: I187 (= I186), F247 (≠ V246), H273 (≠ E272)
binding magnesium ion: A386 (= A386), K387 (= K387), A389 (≠ D389), V392 (≠ A392)

4ihiA Crystal structure of the delta-pyrroline-5-carboxylate dehydrogenase from mycobacterium tuberculosis bound with NAD (see paper)
48% identity, 99% coverage: 7:541/542 of query aligns to 6:533/535 of 4ihiA

query
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4ihiA

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A

G

G

N

N

L

L

P

P

A

T

S

A

A

P

A

A

M

L

M

M

G

G

N

N

V

T

V

V

L

I

W

W

K
|
K

P

P

S
|
S

D

I

S

T

Q

Q

V

T

F

L

S

A

A

A

K

Y

I

L

I

T

M

M

D

Q

V

L

F

L

K

E

E

A

A

A

G

G

L

L

P

P

D

P

G

G

V

V

I

I

N

N

M

L

V

V

M

T

G

G

D

D

P
x
G

V

F

M

A

I

V

T
x
S

E

D

T

V

V

A

L

L

S

A

N

D

A

P

N

R

F

L

S

A

G

G

L

I

H

H

F

F

T
|
T

G
|
G

S
|
S

T

T

H

A

V
x
T

F

F

K

G

E

H

L

L

W

W

K

Q

Q

W

I

V

G

G

Q

T

N

N

I

I

H

G

T

R

Y

Y

K

H

T

S

Y

Y

P

P

R

R

I

L

V

V

G

G

E
|
E

T
|
T

G

G

G

G

K

K

D

D

F

F

I

V

I

V

A

A

H

H

P

A

T

S

A

A

K

R

P

P

E

D

Q

V

V

L

A

R

T

T

A

A

I

L

V

I

R

R

G

G

A

A

F

F

E

D

F

Y

Q

Q

G

G

Q

Q

K

K

C
|
C

S

S

A

A

A

V

S

S

R

R

V

A

Y

F

L

I

P

A

K

H

S

S

T

V

S

W

D

Q

A

R

I

M

L

G

S

D

-

E

L

L

V

L

K

A

K

K

D

A

M

A

E

E

S

L

F

R

N

Y

P

-

P

-

G

G

S

D

P

I

E

T

D

D

M

L

S

S

N

N

F

Y

I

G

T

G

A

A

V

L

I

I

H

D

E

Q

A

R

S

A

F

F

D

V

K

K

L

N

A

V

H

D

Y

A

I

I

D

E

Q

R

A

A

K

K

A

G

D

A

E

A

N

A

A

V

E

T

I

V

Y

A

A

V

G

G

G

G

G

E

Y

Y

D

D

K

D

S

S

K

E

G

G

Y

Y

F

F

I

V

E

R

P

P

T

T

V

V

I

L

L

L

T

S

K

D

D

D

P

P

K
x
E

Y

Y

T

-

T

-

M

-

Y

-

T

-

E

-

L

-

F
|
F

G

G

P

P

V

L

V

L

T

S

I

V

Y

H

V

V

Y

Y

N

P

D

D

Q

E

D

R

W

Y

G

E

K

Q

T

I

L

L

K

D

L

V

V

I

D

D

E

T

T

G

S

S

E

R

Y

Y

A

A

L

L

T

T

G

G

A

A

V

V

L

I

S

A

R

D

D

D

R

R

Y

Q

A

A

I

V

D

L

E

T

A

A

T

L

K

D

A

R

L

L

Q

R

N

F

C

A

A

A

G

G

N

N

F

F

Y

Y

I

V

N

N

D

D

K

K

P

P

T

T

G

G

A

A

V

V

V

V

G

G

Q

R

Q

Q

P

P

F

F

G

G

G

G

A

A

R

R

A

G

S

S

G

D

T

T

N

N

D

D

K

K

A
|
A

G

G

S

S

A

P

Q

L

N

N

L

L

L

L

R

R

W

W

V

T

S

S

P

A

R

R

L

S

I

I

K

K

E

E

T

T

F

F

V

V

T

A

P

A

E

T

D

D

Y

H

R

I

Y

Y

P

P

F

H

L

M

active site: N190 (= N190), K212 (= K212), E293 (= E293), C327 (= C327), E418 (≠ K419), A503 (= A511)
binding nicotinamide-adenine-dinucleotide: I186 (= I186), T187 (= T187), P188 (= P188), F189 (= F189), N190 (= N190), I194 (= I194), K212 (= K212), S214 (= S214), G245 (≠ P245), S249 (≠ T249), T264 (= T264), G265 (= G265), S266 (= S266), T269 (≠ V269), E293 (= E293), T294 (= T294), C327 (= C327), F420 (= F428)

4lh3A Structure of mouse 1-pyrroline-5-carboxylate dehydrogenase (aldh4a1) complexed with glutarate (see paper)
46% identity, 98% coverage: 13:541/542 of query aligns to 4:532/533 of 4lh3A

query
sites
4lh3A

N

N

E

E

P

P

I

I

L

L

S

A

Y

F

A

S

P

Q

G

G

T

S

P

P

E

E

R

R

E

D

N

A

V

L

L

Q

K

K

Q

A

Y

L

K

K

A

D

F

L

Y

K

N

G

G

Q

K

T

M

E

E

A

V

I

P

P

L

C

Y

V

V

V

G

G

S

D

Q

E

E

E

I

V

K

W

T

T

G

S

T

D

T

I

E

Q

T

Y

M

Q

S

L

P

S

P

P

H

F

D

N

H

H

Q

A

H

H

V

K

V

V

G

A

H

K

Y

F

H

C

V

Y

A

A

D

D

K

K

K

A

I

L

T

L

Q

N

D

R

A

A

I

I

D

D

S

A

C

A

L

L

A

A

S

A

R

R

A

K

A

E

W

W

A

D

N

L

L

K

T

P

W

M

E

A

Q

D

R

R

A

A

A

Q

I

V

F

F

L

L

K

K

A

A

A

A

E

D

L

M

I

L

A

S

G

G

P

P

Y

R

R

R

A

A

K

E

I

V

N

L

A

A

A

K

T

T

M

M

I

V

A

G

Q

Q

S

G

K

K

T

T

I

V

H

I

Q

Q

A

A

E

E

I

I

D

D

A

A

A

A

C

A

E

E

F

L

I

I

D

D

F

F

L

F

R

R

F

F

N

N

V

A

E

K

Y

F

M

A

S

V

Q

E

I

L

Y

E

E

G

E

E

Q

Q

P

P

E

I

S

S

A

V

A

P

G

P

I

S

W

T

N

N

R

H

V

T

E

V

Y

Y

R

R

P

G

L

L

E

E

G

G

F

F

V

V

Y

A

A

A

I

I

T

S

P

P

F

F

N
|
N

F
|
F

T

T

A

A

I

I

A

G

G

G

N

N

L

L

P

A

A

G

S

A

A

P

A

A

M

L

M

M

G

G

N

N

V

V

V

V

L

L

W

W

K
|
K

P

P

S

S

D

D

S

T

Q

A

V

M

F

L

S

A

A

S

K

Y

I

A

I

V

M

Y

D

R

V

I

F

L

K

R

E

E

A

A

G

G

L

L

P

P

D

P

G

N

V

I

I

I

N

Q

M

F

V

V

M

P

G

A

D

D

P

G

V

P

M

T

I

F

T

G

E

D

T

T

V

V

L

T

S

S

N

S

A

E

N

H

F

L

S

C

G

G

L

I

H

N

F

F

T

T

G

G

S

S

T

V

H

P

V

T

F

F

K

K

E

H

L

L

W

W

K

R

Q

Q

I

V

G

A

Q

Q

N

N

I

L

H

D

T

R

Y

F

K

R

T

T

Y

F

P

P

R

R

I

L

V

A

G

G

E
|
E

T

C

G

G

G

G

K

K

D

N

F

F

I

H

I

F

A

V

H

H

P

S

T

S

A

A

K

D

P

V

E

D

Q

S

V

V

A

V

T

S

A

G

I

T

V

L

R

R

G

S

A

A

F

F

E

E

F

Y

Q

G

G

G

Q

Q

K
|
K

C
|
C

S
|
S

A

A

A

C

S

S

R

R

V

L

Y

Y

L

V

P

P

K

K

S

S

T

L

S

W

D

P

A

Q

I

I

L

K

S

G

L

R

V

L

K

L

K

E

D

E

M

H

E

S

S

R

F

I

N

K

P

V

P

G

G

D

S

P

P

A

E

E

D

D

M

F

S

G

N

T

F

F

I

F

T

S

A

A

V

V

I

I

H

D

E

A

A

K

S

A

F

F

D

A

K

R

L

I

A

K

H

K

Y

W

I

L

D

E

Q

H

A

A

K

R

A

S

D

S

E

P

N

S

A

L

E

S

I

I

Y

L

A

A

G

G

G

G

G

Q

Y

C

D

N

K

E

S

S

K

V

G

G

Y

Y

F

Y

I

V

E

E

P

P

T

C

V

I

I

I

L

E

T

S

K

K

D

D

P

P

K

Q

Y

E

T

P

T

I

M

M

Y

K

T

E

E
|
E

L

I

F

F

G

G

P

P

V

V

V

L

T

T

I

V

Y

Y

V

V

Y

Y

N

P

D

D

Q

D

D

K

W

Y

G

R

K

E

T

T

L

L

K

K

L

L

V

V

D

D

E

S

T

T

S

T

E

S

Y

Y

A

G

L

L

T

T

G

G

A

A

V

V

L

F

S

A

R

Q

D

D

R

K

Y

A

A

I

I

V

D

Q

E

E

A

A

T

T

K

R

A

M

L

L

Q

R

N

N

C

A

A

A

G

G

N

N

F

F

Y

Y

I

I

N

N

D

D

K

K

P

S

T

T

G
|
G

A
x
S

V

V

V

V

G

G

Q

Q

Q

Q

P

P

F
|
F

G

G

G

G

A

A

R

R

A

A

S

S

G

G

T

T

N

N

D

D

K

K

A
x
P

G

G

S

G

A

P

Q

H

N

Y

L

I

L

L

R

R

W

W

V

T

S

S

P

P

R

Q

L

V

I

I

K

K

E

E

T

T

F

H

V

K

T

P

P

L

E

G

D

D

Y

W

R

R

Y

Y

P

S

F

Y

L

M

active site: N181 (= N190), K203 (= K212), E284 (= E293), C318 (= C327), E417 (= E426), P502 (≠ A511)
binding glutaric acid: F182 (= F191), K317 (= K326), C318 (= C327), S319 (= S328), G482 (= G491), S483 (≠ A492), F490 (= F499)

4lh0A Structure of mouse 1-pyrroline-5-carboxylate dehydrogenase (aldh4a1) complexed with glyoxylate (see paper)
46% identity, 98% coverage: 13:541/542 of query aligns to 4:532/533 of 4lh0A

query
sites
4lh0A

N

N

E

E

P

P

I

I

L

L

S

A

Y

F

A

S

P

Q

G

G

T

S

P

P

E

E

R

R

E

D

N

A

V

L

L

Q

K

K

Q

A

Y

L

K

K

A

D

F

L

Y

K

N

G

G

Q

K

T

M

E

E

A

V

I

P

P

L

C

Y

V

V

V

G

G

S

D

Q

E

E

E

I

V

K

W

T

T

G

S

T

D

T

I

E

Q

T

Y

M

Q

S

L

P

S

P

P

H

F

D

N

H

H

Q

A

H

H

V

K

V

V

G

A

H

K

Y

F

H

C

V

Y

A

A

D

D

K

K

K

A

I

L

T

L

Q

N

D

R

A

A

I

I

D

D

S

A

C

A

L

L

A

A

S

A

R

R

A

K

A

E

W

W

A

D

N

L

L

K

T

P

W

M

E

A

Q

D

R

R

A

A

A

Q

I

V

F

F

L

L

K

K

A

A

A

A

E

D

L

M

I

L

A

S

G

G

P

P

Y

R

R

R

A

A

K

E

I

V

N

L

A

A

A

K

T

T

M

M

I

V

A

G

Q

Q

S

G

K

K

T

T

I

V

H

I

Q

Q

A

A

E

E

I

I

D

D

A

A

A

A

C

A

E

E

F

L

I

I

D

D

F

F

L

F

R

R

F

F

N

N

V

A

E

K

Y

F

M

A

S

V

Q

E

I

L

Y

E

E

G

E

E

Q

Q

P

P

E

I

S

S

A

V

A

P

G

P

I

S

W

T

N

N

R

H

V

T

E

V

Y

Y

R

R

P

G

L

L

E

E

G

G

F

F

V

V

Y

A

A

A

I

I

T

S

P

P

F

F

N
|
N

F

F

T

T

A

A

I

I

A

G

G

G

N

N

L

L

P

A

A

G

S

A

A

P

A

A

M

L

M

M

G

G

N

N

V

V

V

V

L

L

W

W

K
|
K

P

P

S

S

D

D

S

T

Q

A

V

M

F

L

S

A

A

S

K

Y

I

A

I

V

M

Y

D

R

V

I

F

L

K

R

E

E

A

A

G

G

L

L

P

P

D

P

G

N

V

I

I

I

N

Q

M

F

V

V

M

P

G

A

D

D

P

G

V

P

M

T

I

F

T

G

E

D

T

T

V

V

L

T

S

S

N

S

A

E

N

H

F

L

S

C

G

G

L

I

H

N

F

F

T

T

G

G

S

S

T

V

H

P

V

T

F

F

K

K

E

H

L

L

W

W

K

R

Q

Q

I

V

G

A

Q

Q

N

N

I

L

H

D

T

R

Y

F

K

R

T

T

Y

F

P

P

R

R

I

L

V

A

G

G

E
|
E

T

C

G

G

G

G

K

K

D

N

F

F

I

H

I

F

A

V

H

H

P

S

T

S

A

A

K

D

P

V

E

D

Q

S

V

V

A

V

T

S

A

G

I

T

V

L

R

R

G

S

A

A

F

F

E

E

F

Y

Q

G

G

G

Q

Q

K

K

C
|
C

S
|
S

A

A

A

C

S

S

R

R

V

L

Y

Y

L

V

P

P

K

K

S

S

T

L

S

W

D

P

A

Q

I

I

L

K

S

G

L

R

V

L

K

L

K

E

D

E

M

H

E

S

S

R

F

I

N

K

P

V

P

G

G

D

S

P

P

A

E

E

D

D

M

F

S

G

N

T

F

F

I

F

T

S

A

A

V

V

I

I

H

D

E

A

A

K

S

A

F

F

D

A

K

R

L

I

A

K

H

K

Y

W

I

L

D

E

Q

H

A

A

K

R

A

S

D

S

E

P

N

S

A

L

E

S

I

I

Y

L

A

A

G

G

G

G

G

Q

Y

C

D

N

K

E

S

S

K

V

G

G

Y

Y

F

Y

I

V

E

E

P

P

T

C

V

I

I

I

L

E

T

S

K

K

D

D

P

P

K

Q

Y

E

T

P

T

I

M

M

Y

K

T

E

E
|
E

L

I

F

F

G

G

P

P

V

V

V

L

T

T

I

V

Y

Y

V

V

Y

Y

N

P

D

D

Q

D

D

K

W

Y

G

R

K

E

T

T

L

L

K

K

L

L

V

V

D

D

E

S

T

T

S

T

E

S

Y

Y

A

G

L

L

T

T

G

G

A

A

V

V

L

F

S

A

R

Q

D

D

R

K

Y

A

A

I

I

V

D

Q

E

E

A

A

T

T

K

R

A

M

L

L

Q

R

N

N

C

A

A

A

G

G

N

N

F

F

Y

Y

I

I

N

N

D

D

K

K

P

S

T

T

G
|
G

A
x
S

V

V

V

V

G

G

Q

Q

Q

Q

P

P

F
|
F

G

G

G

G

A

A

R

R

A

A

S

S

G

G

T

T

N

N

D

D

K

K

A
x
P

G

G

S

G

A

P

Q

H

N

Y

L

I

L

L

R

R

W

W

V

T

S

S

P

P

R

Q

L

V

I

I

K

K

E

E

T

T

F

H

V

K

T

P

P

L

E

G

D

D

Y

W

R

R

Y

Y

P

S

F

Y

L

M

active site: N181 (= N190), K203 (= K212), E284 (= E293), C318 (= C327), E417 (= E426), P502 (≠ A511)
binding glyoxylic acid: S319 (= S328), G482 (= G491), S483 (≠ A492), F490 (= F499)

7merA Structure of aldh4a1 complexed with trans-4-hydroxy-l-proline (see paper)
46% identity, 98% coverage: 13:541/542 of query aligns to 3:531/532 of 7merA

query
sites
7merA

N

N

E

E

P

P

I

I

L

L

S

A

Y

F

A

S

P

Q

G

G

T

S

P

P

E

E

R

R

E

D

N

A

V

L

L

Q

K

K

Q

A

Y

L

K

K

A

D

F

L

Y

K

N

G

G

Q

K

T

M

E

E

A

V

I

P

P

L

C

Y

V

V

V

G

G

S

D

Q

E

E

E

I

V

K

W

T

T

G

S

T

D

T

I

E

Q

T

Y

M

Q

S

L

P

S

P

P

H

F

D

N

H

H

Q

A

H

H

V

K

V

V

G

A

H

K

Y

F

H

C

V

Y

A

A

D

D

K

K

K

A

I

L

T

L

Q

N

D

R

A

A

I

I

D

D

S

A

C

A

L

L

A

A

S

A

R

R

A

K

A

E

W

W

A

D

N

L

L

K

T

P

W

M

E

A

Q

D

R

R

A

A

A

Q

I

V

F

F

L

L

K

K

A

A

A

A

E

D

L

M

I

L

A

S

G

G

P

P

Y

R

R

R

A

A

K

E

I

V

N

L

A

A

A

K

T

T

M

M

I

V

A

G

Q

Q

S

G

K

K

T

T

I

V

H

I

Q

Q

A

A

E

E

I

I

D

D

A

A

A

A

C

A

E
|
E

F

L

I

I

D

D

F

F

L

F

R

R

F

F

N

N

V

A

E

K

Y

F

M

A

S

V

Q

E

I

L

Y

E

E

G

E

E

Q

Q

P

P

E

I

S

S

A

V

A

P

G

P

I

S

W

T

N

N

R

H

V

T

E

V

Y

Y

R

R

P

G

L

L

E

E

G

G

F

F

V

V

Y

A

A

A

I

I

T

S

P

P

F

F

N
|
N

F
|
F

T

T

A

A

I
|
I

A

G

G

G

N

N

L

L

P

A

A

G

S

A

A

P

A

A

M

L

M

M

G

G

N

N

V

V

V

V

L

L

W

W

K
|
K

P

P

S

S

D

D

S

T

Q

A

V

M

F

L

S

A

A

S

K

Y

I

A

I

V

M

Y

D

R

V

I

F

L

K

R

E

E

A

A

G

G

L

L

P

P

D

P

G

N

V

I

I

I

N

Q

M

F

V

V

M

P

G

A

D

D

P

G

V

P

M

T

I

F

T

G

E

D

T

T

V

V

L

T

S

S

N

S

A

E

N

H

F

L

S

C

G

G

L

I

H

N

F

F

T

T

G

G

S

S

T

V

H

P

V

T

F

F

K

K

E

H

L

L

W

W

K

R

Q

Q

I

V

G

A

Q

Q

N

N

I

L

H

D

T

R

Y

F

K

R

T

T

Y

F

P

P

R

R

I

L

V

A

G

G

E
|
E

T

C

G

G

G

G

K

K

D

N

F

F

I

H

I

F

A

V

H

H

P

S

T

S

A

A

K

D

P

V

E

D

Q

S

V

V

A

V

T

S

A

G

I

T

V

L

R

R

G

S

A

A

F

F

E

E

F

Y

Q

G

G

G

Q

Q

K

K

C
|
C

S
|
S

A

A

A

C

S

S

R

R

V

L

Y

Y

L

V

P

P

K

K

S

S

T

L

S

W

D

P

A

Q

I

I

L

K

S

G

L

R

V

L

K

L

K

E

D

E

M

H

E

S

S

R

F

I

N

K

P

V

P

G

G

D

S

P

P

A

E

E

D

D

M

F

S

G

N

T

F

F

I

F

T

S

A

A

V

V

I

I

H

D

E

A

A

K

S

A

F

F

D

A

K

R

L

I

A

K

H

K

Y

W

I

L

D

E

Q

H

A

A

K

R

A

S

D

S

E

P

N

S

A

L

E

S

I

I

Y

L

A

A

G

G

G

G

G

Q

Y

C

D

N

K

E

S

S

K

V

G

G

Y

Y

F

Y

I

V

E

E

P

P

T

C

V

I

I

I

L

E

T

S

K

K

D

D

P

P

K

Q

Y

E

T

P

T

I

M

M

Y

K

T

E

E
|
E

L

I

F

F

G

G

P

P

V

V

V

L

T

T

I

V

Y

Y

V

V

Y

Y

N

P

D

D

Q

D

D

K

W

Y

G

R

K

E

T

T

L

L

K

K

L

L

V

V

D

D

E

S

T

T

S

T

E

S

Y

Y

A

G

L

L

T

T

G

G

A

A

V

V

L

F

S

A

R

Q

D

D

R

K

Y

A

A

I

I

V

D

Q

E

E

A

A

T

T

K

R

A

M

L

L

Q

R

N

N

C

A

A

A

G

G

N

N

F

F

Y

Y

I

I

N

N

D

D

K

K

P

S

T

T

G
|
G

A
x
S

V

V

V

V

G

G

Q

Q

Q

Q

P

P

F
|
F

G

G

G

G

A

A

R

R

A

A

S

S

G

G

T

T

N

N

D

D

K

K

A
x
P

G

G

S

G

A

P

Q

H

N

Y

L

I

L

L

R

R

W

W

V

T

S

S

P

P

R

Q

L

V

I

I

K

K

E

E

T

T

F

H

V

K

T

P

P

L

E

G

D

D

Y

W

R

R

Y

Y

P

S

F

Y

L

M

active site: N180 (= N190), K202 (= K212), E283 (= E293), C317 (= C327), E416 (= E426), P501 (≠ A511)
binding 4-hydroxyproline: E134 (= E144), F181 (= F191), I184 (= I194), S318 (= S328), G481 (= G491), S482 (≠ A492), F489 (= F499)

3v9lA Crystal structure of mouse 1-pyrroline-5-carboxylate dehydrogenase complexed with NAD+ (see paper)
46% identity, 98% coverage: 13:541/542 of query aligns to 5:533/534 of 3v9lA

query
sites
3v9lA

N

N

E

E

P

P

I

I

L

L

S

A

Y

F

A

S

P

Q

G

G

T

S

P

P

E

E

R

R

E

D

N

A

V

L

L

Q

K

K

Q

A

Y

L

K

K

A

D

F

L

Y

K

N

G

G

Q

K

T

M

E

E

A

V

I

P

P

L

C

Y

V

V

V

G

G

S

D

Q

E

E

E

I

V

K

W

T

T

G

S

T

D

T

I

E

Q

T

Y

M

Q

S

L

P

S

P

P

H

F

D

N

H

H

Q

A

H

H

V

K

V

V

G

A

H

K

Y

F

H

C

V

Y

A

A

D

D

K

K

K

A

I

L

T

L

Q

N

D

R

A

A

I

I

D

D

S

A

C

A

L

L

A

A

S

A

R

R

A

K

A

E

W

W

A

D

N

L

L

K

T

P

W

M

E

A

Q

D

R

R

A

A

A

Q

I

V

F

F

L

L

K

K

A

A

A

A

E

D

L

M

I

L

A

S

G

G

P

P

Y

R

R

R

A

A

K

E

I

V

N

L

A

A

A

K

T

T

M

M

I

V

A

G

Q

Q

S

G

K

K

T

T

I

V

H

I

Q

Q

A

A

E

E

I

I

D

D

A

A

A

A

C

A

E

E

F

L

I

I

D

D

F

F

L

F

R

R

F

F

N

N

V

A

E

K

Y

F

M

A

S

V

Q

E

I

L

Y

E

E

G

E

E

Q

Q

P

P

E

I

S

S

A

V

A

P

G

P

I

S

W

T

N

N

R

H

V

T

E

V

Y

Y

R

R

P

G

L

L

E

E

G

G

F

F

V

V

Y

A

A

A

I
|
I

T
x
S

P

P

F

F

N
|
N

F

F

T

T

A

A

I
|
I

A

G

G

G

N

N

L

L

P

A

A

G

S

A

A

P

A

A

M

L

M

M

G

G

N

N

V

V

V

V

L

L

W

W

K
|
K

P

P

S

S

D

D

S

T

Q

A

V

M

F

L

S

A

A

S

K

Y

I

A

I

V

M

Y

D

R

V

I

F

L

K

R

E

E

A

A

G

G

L

L

P

P

D

P

G

N

V

I

I

I

N

Q

M

F

V

V

M

P

G

A

D

D

P
x
G

V
x
P

M

T

I

F

T
x
G

E

D

T

T

V

V

L

T

S

S

N

S

A

E

N

H

F

L

S

C

G

G

L

I

H

N

F
|
F

T
|
T

G
|
G

S
|
S

T

V

H

P

V
x
T

F

F

K

K

E

H

L

L

W

W

K

R

Q

Q

I

V

G

A

Q

Q

N

N

I

L

H

D

T

R

Y

F

K

R

T

T

Y

F

P

P

R

R

I

L

V

A

G

G

E
|
E

T

C

G
|
G

G

G

K

K

D

N

F

F

I

H

I

F

A

V

H

H

P

S

T

S

A

A

K

D

P

V

E

D

Q

S

V

V

A

V

T

S

A

G

I

T

V

L

R

R

G

S

A

A

F

F

E

E

F

Y

Q

G

G

G

Q

Q

K

K

C
|
C

S

S

A

A

A

C

S

S

R

R

V

L

Y

Y

L

V

P

P

K

K

S

S

T

L

S

W

D

P

A

Q

I

I

L

K

S

G

L

R

V

L

K

L

K

E

D

E

M

H

E

S

S

R

F

I

N

K

P

V

P

G

G

D

S

P

P

A

E

E

D

D

M

F

S

G

N

T

F

F

I

F

T

S

A

A

V

V

I

I

H

D

E

A

A

K

S

A

F

F

D

A

K

R

L

I

A

K

H

K

Y

W

I

L

D

E

Q

H

A

A

K

R

A

S

D

S

E

P

N

S

A

L

E

S

I

I

Y

L

A

A

G

G

G

G

G

Q

Y

C

D

N

K

E

S

S

K

V

G

G

Y

Y

F

Y

I

V

E

E

P

P

T

C

V

I

I

I

L

E

T

S

K

K

D

D

P

P

K

Q

Y

E

T

P

T

I

M

M

Y

K

T

E

E
|
E

L

I

F
|
F

G

G

P

P

V

V

V

L

T

T

I

V

Y

Y

V

V

Y

Y

N

P

D

D

Q

D

D

K

W

Y

G

R

K

E

T

T

L

L

K

K

L

L

V

V

D

D

E

S

T

T

S

T

E

S

Y

Y

A

G

L

L

T

T

G

G

A

A

V

V

L

F

S

A

R

Q

D

D

R

K

Y

A

A

I

I

V

D

Q

E

E

A

A

T

T

K

R

A

M

L

L

Q

R

N

N

C

A

A

A

G

G

N

N

F

F

Y

Y

I

I

N

N

D

D

K

K

P

S

T

T

G

G

A

S

V

V

V

V

G

G

Q

Q

Q

Q

P

P

F
|
F

G

G

G

G

A

A

R

R

A

A

S

S

G

G

T

T

N

N

D

D

K

K

A
x
P

G

G

S

G

A

P

Q

H

N

Y

L

I

L

L

R

R

W

W

V

T

S

S

P

P

R

Q

L

V

I

I

K

K

E

E

T

T

F

H

V

K

T

P

P

L

E

G

D

D

Y

W

R

R

Y

Y

P

S

F

Y

L

M

active site: N182 (= N190), K204 (= K212), E285 (= E293), C319 (= C327), E418 (= E426), P503 (≠ A511)
binding nicotinamide-adenine-dinucleotide: I178 (= I186), S179 (≠ T187), N182 (= N190), I186 (= I194), K204 (= K212), G237 (≠ P245), P238 (≠ V246), G241 (≠ T249), F255 (= F263), T256 (= T264), G257 (= G265), S258 (= S266), T261 (≠ V269), E285 (= E293), G287 (= G295), C319 (= C327), E418 (= E426), F420 (= F428), F491 (= F499)

3v9kA Crystal structure of mouse 1-pyrroline-5-carboxylate dehydrogenase complexed with the product glutamate (see paper)
46% identity, 98% coverage: 13:541/542 of query aligns to 5:533/534 of 3v9kA

query
sites
3v9kA

N

N

E

E

P

P

I

I

L

L

S

A

Y

F

A

S

P

Q

G

G

T

S

P

P

E

E

R

R

E

D

N

A

V

L

L

Q

K

K

Q

A

Y

L

K

K

A

D

F

L

Y

K

N

G

G

Q

K

T

M

E

E

A

V

I

P

P

L

C

Y

V

V

V

G

G

S

D

Q

E

E

E

I

V

K

W

T

T

G

S

T

D

T

I

E

Q

T

Y

M

Q

S

L

P

S

P

P

H

F

D

N

H

H

Q

A

H

H

V

K

V

V

G

A

H

K

Y

F

H

C

V

Y

A

A

D

D

K

K

K

A

I

L

T

L

Q

N

D

R

A

A

I

I

D

D

S

A

C

A

L

L

A

A

S

A

R

R

A

K

A

E

W

W

A

D

N

L

L

K

T

P

W

M

E

A

Q

D

R

R

A

A

A

Q

I

V

F

F

L

L

K

K

A

A

A

A

E

D

L

M

I

L

A

S

G

G

P

P

Y

R

R

R

A

A

K

E

I

V

N

L

A

A

A

K

T

T

M

M

I

V

A

G

Q

Q

S

G

K

K

T

T

I

V

H

I

Q

Q

A

A

E

E

I

I

D

D

A

A

A

A

C

A

E

E

F

L

I

I

D

D

F

F

L

F

R

R

F

F

N

N

V

A

E

K

Y

F

M

A

S

V

Q

E

I

L

Y

E

E

G

E

E

Q

Q

P

P

E

I

S

S

A

V

A

P

G

P

I

S

W

T

N

N

R

H

V

T

E

V

Y

Y

R

R

P

G

L

L

E

E

G

G

F

F

V

V

Y

A

A

A

I

I

T

S

P

P

F

F

N
|
N

F
|
F

T

T

A

A

I

I

A

G

G

G

N

N

L

L

P

A

A

G

S

A

A

P

A

A

M

L

M

M

G

G

N

N

V

V

V

V

L

L

W

W

K
|
K

P

P

S

S

D

D

S

T

Q

A

V

M

F

L

S

A

A

S

K

Y

I

A

I

V

M

Y

D

R

V

I

F

L

K

R

E

E

A

A

G

G

L

L

P

P

D

P

G

N

V

I

I

I

N

Q

M

F

V

V

M

P

G

A

D

D

P

G

V

P

M

T

I

F

T

G

E

D

T

T

V

V

L

T

S

S

N

S

A

E

N

H

F

L

S

C

G

G

L

I

H

N

F

F

T

T

G

G

S

S

T

V

H

P

V

T

F

F

K

K

E

H

L

L

W

W

K

R

Q

Q

I

V

G

A

Q

Q

N

N

I

L

H

D

T

R

Y

F

K

R

T

T

Y

F

P

P

R

R

I

L

V

A

G

G

E
|
E

T

C

G

G

G

G

K

K

D

N

F

F

I

H

I

F

A

V

H

H

P

S

T

S

A

A

K

D

P

V

E

D

Q

S

V

V

A

V

T

S

A

G

I

T

V

L

R

R

G

S

A

A

F

F

E

E

F

Y

Q

G

G

G

Q

Q

K
|
K

C
|
C

S
|
S

A

A

A

C

S

S

R

R

V

L

Y

Y

L

V

P

P

K

K

S

S

T

L

S

W

D

P

A

Q

I

I

L

K

S

G

L

R

V

L

K

L

K

E

D

E

M

H

E

S

S

R

F

I

N

K

P

V

P

G

G

D

S

P

P

A

E

E

D

D

M

F

S

G

N

T

F

F

I

F

T

S

A

A

V

V

I

I

H

D

E

A

A

K

S

A

F

F

D

A

K

R

L

I

A

K

H

K

Y

W

I

L

D

E

Q

H

A

A

K

R

A

S

D

S

E

P

N

S

A

L

E

S

I

I

Y

L

A

A

G

G

G

G

G

Q

Y

C

D

N

K

E

S

S

K

V

G

G

Y

Y

F

Y

I

V

E

E

P

P

T

C

V

I

I

I

L

E

T

S

K

K

D

D

P

P

K

Q

Y

E

T

P

T

I

M

M

Y

K

T

E

E
|
E

L

I

F

F

G

G

P

P

V

V

V

L

T

T

I

V

Y

Y

V

V

Y

Y

N

P

D

D

Q

D

D

K

W

Y

G

R

K

E

T

T

L

L

K

K

L

L

V

V

D

D

E

S

T

T

S

T

E

S

Y

Y

A

G

L

L

T

T

G

G

A

A

V

V

L

F

S

A

R

Q

D

D

R

K

Y

A

A

I

I

V

D

Q

E

E

A

A

T

T

K

R

A

M

L

L

Q

R

N

N

C

A

A

A

G

G

N

N

F

F

Y

Y

I

I

N

N

D

D

K

K

P

S

T

T

G
|
G

A
x
S

V

V

V

V

G

G

Q

Q

Q

Q

P

P

F
|
F

G

G

G

G

A

A

R

R

A

A

S

S

G

G

T

T

N

N

D

D

K

K

A
x
P

G

G

S

G

A

P

Q

H

N

Y

L

I

L

L

R

R

W

W

V

T

S

S

P

P

R

Q

L

V

I

I

K

K

E

E

T

T

F

H

V

K

T

P

P

L

E

G

D

D

Y

W

R

R

Y

Y

P

S

F

Y

L

M

active site: N182 (= N190), K204 (= K212), E285 (= E293), C319 (= C327), E418 (= E426), P503 (≠ A511)
binding glutamic acid: F183 (= F191), K318 (= K326), C319 (= C327), S320 (= S328), G483 (= G491), S484 (≠ A492), F491 (= F499)

4e3xA Crystal structure of mus musculus 1-pyrroline-5-carboxylate dehydrogenase cryoprotected in proline (see paper)
46% identity, 98% coverage: 13:541/542 of query aligns to 15:543/543 of 4e3xA

query
sites
4e3xA

N

N

E

E

P

P

I

I

L

L

S

A

Y

F

A

S

P

Q

G

G

T

S

P

P

E

E

R

R

E

D

N

A

V

L

L

Q

K

K

Q

A

Y

L

K

K

A

D

F

L

Y

K

N

G

G

Q

K

T

M

E

E

A

V

I

P

P

L

C

Y

V

V

V

G

G

S

D

Q

E

E

E

I

V

K

W

T

T

G

S

T

D

T

I

E

Q

T

Y

M

Q

S

L

P

S

P

P

H

F

D

N

H

H

Q

A

H

H

V

K

V

V

G

A

H

K

Y

F

H

C

V

Y

A

A

D

D

K

K

K

A

I

L

T

L

Q

N

D

R

A

A

I

I

D

D

S

A

C

A

L

L

A

A

S

A

R

R

A

K

A

E

W

W

A

D

N

L

L

K

T

P

W

M

E

A

Q

D

R

R

A

A

A

Q

I

V

F

F

L

L

K

K

A

A

A

A

E

D

L

M

I

L

A

S

G

G

P

P

Y

R

R

R

A

A

K

E

I

V

N

L

A

A

A

K

T

T

M

M

I

V

A

G

Q

Q

S

G

K

K

T

T

I

V

H

I

Q

Q

A

A

E

E

I

I

D

D

A

A

A

A

C

A

E

E

F

L

I

I

D

D

F

F

L

F

R

R

F

F

N

N

V

A

E

K

Y

F

M

A

S

V

Q

E

I

L

Y

E

E

G

E

E

Q
|
Q

P
|
P

E
x
I

S

S

A

V

A

P

G

P

I

S

W

T

N

N

R

H

V

T

E

V

Y

Y

R

R

P

G

L

L

E

E

G

G

F

F

V

V

Y

A

A

A

I

I

T

S

P

P

F
|
F

N
|
N

F

F

T

T

A

A

I

I

A

G

G

G

N

N

L

L

P

A

A

G

S

A

A

P

A

A

M

L

M

M

G

G

N

N

V

V

V

V

L

L

W

W

K
|
K

P

P

S

S

D

D

S

T

Q

A

V

M

F

L

S

A

A

S

K

Y

I

A

I

V

M

Y

D

R

V

I

F

L

K

R

E

E

A

A

G

G

L

L

P

P

D

P

G

N

V

I

I

I

N

Q

M

F

V

V

M

P

G

A

D

D

P

G

V

P

M

T

I

F

T

G

E

D

T

T

V

V

L

T

S

S

N

S

A

E

N

H

F

L

S

C

G

G

L

I

H

N

F

F

T

T

G

G

S

S

T

V

H

P

V

T

F

F

K
|
K

E

H

L

L

W

W

K

R

Q

Q

I

V

G

A

Q

Q

N

N

I
x
L

H
x
D

T

R

Y
x
F

K

R

T
|
T

Y
x
F

P

P

R

R

I

L

V

A

G

G

E
|
E

T

C

G

G

G

G

K

K

D

N

F

F

I

H

I

F

A

V

H

H

P

S

T

S

A

A

K

D

P

V

E

D

Q

S

V

V

A

V

T

S

A

G

I

T

V

L

R

R

G

S

A

A

F

F

E

E

F

Y

Q

G

G

G

Q

Q

K

K

C
|
C

S
|
S

A

A

A

C

S

S

R

R

V

L

Y

Y

L

V

P

P

K

K

S

S

T

L

S

W

D

P

A

Q

I

I

L

K

S

G

L

R

V

L

K

L

K

E

D

E

M

H

E

S

S

R

F

I

N

K

P

V

P

G

G

D

S

P

P

A

E

E

D

D

M

F

S

G

N

T

F

F

I

F

T

S

A

A

V

V

I

I

H
x
D

E

A

A

K

S

A

F

F

D

A

K

R

L

I

A

K

H

K

Y

W

I

L

D

E

Q

H

A

A

K

R

A

S

D

S

E

P

N

S

A

L

E

S

I

I

Y

L

A

A

G

G

G

G

G

Q

Y

C

D

N

K

E

S

S

K

V

G

G

Y

Y

F

Y

I

V

E

E

P

P

T

C

V

I

I

I

L

E

T

S

K

K

D

D

P

P

K

Q

Y

E

T

P

T

I

M

M

Y

K

T

E

E
|
E

L

I

F

F

G

G

P

P

V

V

V

L

T

T

I

V

Y

Y

V

V

Y

Y

N

P

D

D

Q

D

D

K

W

Y

G

R

K

E

T

T

L

L

K

K

L

L

V

V

D

D

E

S

T

T

S

T

E

S

Y

Y

A

G

L

L

T

T

G

G

A

A

V

V

L

F

S

A

R

Q

D

D

R

K

Y

A

A

I

I

V

D

Q

E

E

A

A

T

T

K

R

A

M

L

L

Q

R

N

N

C

A

A

A

G

G

N

N

F

F

Y

Y

I

I

N

N

D

D

K

K

P

S

T
|
T

G
|
G

A
x
S

V

V

V

V

G

G

Q

Q

Q

Q

P

P

F
|
F

G

G

G

G

A

A

R

R

A
|
A

S

S

G

G

T

T

N

N

D

D

K

K

A
x
P

G

G

S

G

A

P

Q

H

N

Y

L

I

L

L

R

R

W

W

V

T

S

S

P

P

R

Q

L

V

I

I

K

K

E

E

T

T

F

H

V

K

T

P

P

L

E

G

D

D

Y

W

R

R

Y

Y

P

S

F

Y

L

M

active site: N192 (= N190), K214 (= K212), E295 (= E293), C329 (= C327), E428 (= E426), P513 (≠ A511)
binding proline: Q165 (= Q163), P166 (= P164), I167 (≠ E165), F191 (= F189), K273 (= K271), L283 (≠ I281), D284 (≠ H282), F286 (≠ Y284), T288 (= T286), F289 (≠ Y287), C329 (= C327), S330 (= S328), D374 (≠ H372), T492 (= T490), G493 (= G491), S494 (≠ A492), F501 (= F499), A506 (= A504)

Q8CHT0 Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial; P5C dehydrogenase; Aldehyde dehydrogenase family 4 member A1; L-glutamate gamma-semialdehyde dehydrogenase; EC 1.2.1.88 from Mus musculus (Mouse) (see paper)
46% identity, 98% coverage: 13:541/542 of query aligns to 33:561/562 of Q8CHT0

query
sites
Q8CHT0

N

N

E

E

P

P

I

I

L

L

S

A

Y

F

A

S

P

Q

G

G

T

S

P

P

E

E

R

R

E

D

N

A

V

L

L

Q

K

K

Q

A

Y

L

K

K

A

D

F

L

Y

-

N

K

G

G

K

Q

M

M

E

E

-

A

V

I

P

P

L

C

Y

V

V

V

G

G

S

D

Q

E

E

E

I

V

K

W

T

T

G

S

T

D

T

I

E

Q

T

Y

M

Q

S

L

P

S

P

P

H

F

D

N

H

H

Q

A

H

H

V

K

V

V

G

A

H

K

Y

F

H

C

V

Y

A

A

D

D

K

K

K

A

I

L

T

L

Q

N

D

R

A

A

I

I

D

D

S

A

C

A

L

L

A

A

S

A

R

R

A

K

A

E

W

W

A

D

N

L

L

K

T

P

W

M

E

A

Q

D

R

R

A

A

A

Q

I

V

F

F

L

L

K

K

A

A

A

A

E

D

L

M

I

L

A

S

G

G

P

P

Y

R

R

R

A

A

K

E

I

V

N

L

A

A

A

K

T

T

M

M

I

V

A

G

Q

Q

S

G

K

K

T

T

I

V

H

I

Q

Q

A

A

E

E

I

I

D

D

A

A

A

A

C

A

E

E

F

L

I

I

D

D

F

F

L

F

R

R

F

F

N

N

V

A

E

K

Y

F

M

A

S

V

Q

E

I

L

Y

E

E

G

E

E

Q

Q

P

P

E

I

S

S

A

V

A

P

G

P

I

S

W

T

N

N

R

H

V

T

E

V

Y

Y

R

R

P

G

L

L

E

E

G

G

F

F

V

V

Y

A

A

A

I

I

T

S

P

P

F

F

N

N

F

F

T

T

A

A

I

I

A

G

G

G

N

N

L

L

P

A

A

G

S

A

A

P

A

A

M

L

M

M

G

G

N

N

V

V

V

V

L

L

W

W

K

K

P

P

S

S

D

D

S

T

Q

A

V

M

F

L

S

A

A

S

K

Y

I

A

I

V

M

Y

D

R

V

I

F

L

K

R

E

E

A

A

G

G

L

L

P

P

D

P

G

N

V

I

I

I

N

Q

M

F

V

V

M

P

G

A

D

D

P

G

V

P

M

T

I

F

T

G

E

D

T

T

V

V

L

T

S

S

N

S

A

E

N

H

F

L

S

C

G

G

L

I

H

N

F

F

T

T

G

G

S

S

T

V

H

P

V

T

F

F

K

K

E

H

L

L

W

W

K

R

Q

Q

I

V

G

A

Q

Q

N

N

I

L

H

D

T

R

Y

F

K

R

T

T

Y

F

P

P

R

R

I

L

V

A

G

G

E
|
E

T

C

G

G

G

G

K

K

D

N

F

F

I

H

I

F

A

V

H

H

P

S

T

S

A

A

K

D

P

V

E

D

Q

S

V

V

A

V

T

S

A

G

I

T

V

L

R

R

G

S

A

A

F

F

E

E

F

Y

Q

G

G

G

Q

Q

K

K

C
|
C

S

S

A

A

A

C

S

S

R

R

V

L

Y

Y

L

V

P

P

K

K

S

S

T

L

S

W

D

P

A

Q

I

I

L

K

S

G

L

R

V

L

K

L

K

E

D

E

M

H

E

S

S

R

F

I

N

K

P

V

P

G

G

D

S

P

P

A

E

E

D

D

M

F

S

G

N

T

F

F

I

F

T

S

A

A

V

V

I

I

H

D

E

A

A

K

S

A

F

F

D

A

K

R

L

I

A

K

H

K

Y

W

I

L

D

E

Q

H

A

A

K

R

A

S

D

S

E

P

N

S

A

L

E

S

I

I

Y

L

A

A

G

G

G

G

G

Q

Y

C

D

N

K

E

S

S

K

V

G

G

Y

Y

F

Y

I

V

E

E

P

P

T

C

V

I

I

I

L

E

T

S

K

K

D

D

P

P

K

Q

Y

E

T

P

T

I

M

M

Y

K

T

E

E

E

L

I

F

F

G

G

P

P

V

V

V

L

T

T

I

V

Y

Y

V

V

Y

Y

N

P

D

D

Q

D

D

K

W

Y

G

R

K

E

T

T

L

L

K

Q

L

L

V

V

D

D

E

S

T

T

S

T

E

S

Y

Y

A

G

L

L

T

T

G

G

A

A

V

V

L

F

S

A

R

Q

D

D

R

K

Y

A

A

I

I

V

D

Q

E

E

A

A

T

T

K

R

A

M

L

L

Q

R

N

N

C

A

A

A

G

G

N

N

F

F

Y

Y

I

I

N

N

D

D

K

K

P

S

T

T

G

G

A

S

V

V

V

V

G

G

Q

Q

Q

Q

P

P

F

F

G

G

G

G

A

A

R

R

A

A

S

S

G

G

T

T

N

N

D

D

K

K

A

P

G

G

S

G

A

P

Q

H

N

Y

L

I

L

L

R

R

W

W

V

T

S

S

P

P

R

Q

L

V

I

I

K

K

E

E

T

T

F

H

V

K

T

P

P

L

E

G

D

D

Y

W

R

R

Y

Y

P

S

F

Y

L

M

E313 (= E293) active site, Proton acceptor
C347 (= C327) active site, Nucleophile

8rkrA Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial (see paper)
46% identity, 98% coverage: 13:541/542 of query aligns to 3:531/532 of 8rkrA

query
sites
8rkrA

N

N

E

E

P

P

I

V

L

L

S

A

Y

F

A

T

P

Q

G

G

T

S

P

P

E

E

R

R

E

D

N

A

V

L

L

Q

K

K

Q

A

Y

L

K

K

A

D

F

L

Y

-

N

K

G

G

K

R

M

M

E

E

-

A

V

I

P

P

L

C

Y

V

V

V

G

G

S

D

Q

E

E

E

I

V

K

W

T

T

G

S

T

D

T

V

E

Q

T

Y

M

Q

S

V

P

S

P

P

H

F

D

N

H

H

Q

G

H

H

V

K

V

V

G

A

H

K

Y

F

H

C

V

Y

A

A

D

D

K

K

K

S

I

L

T

L

Q

N

D

K

A

A

I

I

D

E

S

A

C

A

L

L

A

A

S

A

R

R

A

K

A

E

W

W

A

D

N

L

L

K

T

P

W

I

E

A

Q

D

R

R

A

A

A

Q

I

I

F

F

L

L

K

K

A

A

A

A

E

D

L

M

I

L

A

S

G

G

P

P

Y

R

R

R

A

A

K

E

I

I

N

L

A

A

A

K

T

T

M

M

I

V

A

G

Q

Q

S

G

K

K

T

T

I

V

H

I

Q

Q

A

A

E

E

I

I

D

D

A

A

A

A

C

A

E

E

F

L

I

I

D

D

F

F

L

F

R

R

F

F

N

N

V

A

E

K

Y

Y

M

A

S

V

Q

E

I

L

Y

E

E

G

E

Q

Q

Q

P

P

E

I

S

S

A

V

A

P

G

P

I

S

W

T

N

N

R

S

V

T

E

V

Y

Y

R

R

P

G

L

L

E

E

G

G

F

F

V

V

Y

A

A

A

I

I

T

S

P

P

F

F

N

N

F

F

T

T

A

A

I

I

A

G

G

G

N

N

L

L

P

A

A

G

S

A

A

P

A

A

M

L

M

M

G

G

N

N

V

V

V

V

L

L

W

W

K

K

P

P

S

S

D

D

S

T

Q

A

V

M

F

L

S

A

A

S

K

Y

I

A

I

V

M

Y

D

R

V

I

F

L

K

R

E

E

A

A

G

G

L

L

P

P

D

P

G

N

V

I

I

I

N

Q

M

F

V

V

M

P

G

A

D

D

P

G

V

P

M

L

I

F

T

G

E

D

T

T

V

V

L

T

S

S

N

S

A

E

N

H

F

L

S

C

G

G

L

I

H

N

F

F

T

T

G

G

S

S

T

V

H

P

V

T

F

F

K

K

E

H

L

L

W

W

K

K

Q

Q

I

V

G

A

Q

Q

N

N

I

L

H

D

T

R

Y

F

K

H

T

T

Y

F

P

P

R

R

I

L

V

A

G

G

E

E

T

C

G

G

G

G

K

K

D

N

F

F

I

H

I

F

A

V

H

H

P

R

T

S

A

A

K

D

P

V

E

E

Q

S

V

V

A

V

T

S

A

G

I

T

V

L

R

R

G

S

A

A

F

F

E

E

F

Y

Q

G

G

G

Q

Q

K

K

C

C

S

S

A

A

A

C

S

S

R

R

V

L

Y

Y

L

V

P

P

K

H

S

S

T

L

S

W

D

P

A

Q

I

I

L

K

S

G

L

R

V

L

K

L

K

E

D

E

M

H

E

S

S

R

F

I

N

K

P

V

P

G

G

D

S

P

P

A

E

E

D

D

M

F

S

G

N

T

F

F

I

F

T

S

A

A

V

V

I

I

H

D

E

A

A

K

S

S

F

F

D

A

K
x
R

L

I

A

K

H
x
K

Y
x
W

I

L

D
x
E

Q
x
H

A

A

K

R

A

S

D

S

E

P

N

S

A

L

E

T

I

I

Y

L

A

A

G

G

G

G

G

K

Y

C

D

D

K

D

S

S

K

V

G

G

Y

Y

F

F

I

V

E

E

P

P

T

C

V

I

I

V

L

E

T

S

K

K

D

D

P

P

K

Q

Y

E

T

P

T

I

M

M

Y

K

T

E

E

E

L

I

F

F

G

G

P

P

V

V

V

L

T

S

I

V

Y

Y

V

V

Y

Y

N

P

D

D

Q

D

D

K

W

Y

G

K

K

E

T

T

L

L

K

Q

L

L

V

V

D

D

E

S

T

T

S

T

E

S

Y

Y

A

G

L

L

T

T

G

G

A

A

V

V

L

F

S

S

R

Q

D

D

R

K

Y

D

A

V

I

V

D

Q

E

E

A

A

T

T

K

K

A

V

L

L

Q

R

N

N

C

A

A

A

G

G

N

N

F

F

Y

Y

I

I

N

N

D

D

K

K

P

S

T

T

G

G

A

S

V

I

V

V

G

G

Q

Q

Q

Q

P

P

F

F

G

G

G

G

A

A

R

R

A

A

S

S

G

G

T

T

N

N

D

D

K

K

A

P

G

G

S

G

A

P

Q

H

N

Y

L

I

L

L

R

R

W

W

V

T

S

S

P

P

R

Q

L

V

I

I

K

K

E

E

T

T

F

H

V

K

T

P

P

L

E

G

D

D

Y

W

R

S

Y

Y

P

A

F

Y

L

M

binding (1R,5S,9S,16R,20R,24S,28S,35R)-22-(Dihydroxyphosphoryloxy)tridecacyclo[22.14.1.15,20.19,16.128,35.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34]dotetraconta-2(23),3,6,8(17),10,12,14,18,21,25,27(36),29,31,33,37-pentadecaen-3-ol: R368 (≠ K378), K371 (≠ H381), W372 (≠ Y382), E374 (≠ D384), H375 (≠ Q385)

8rkqA Structure of human delta-1-pyrroline-5-carboxylate dehydrogenase (aldh4a1) complexed with the molecular tweezer clr01 (see paper)
46% identity, 98% coverage: 13:541/542 of query aligns to 19:547/547 of 8rkqA

query
sites
8rkqA

N

N

E

E

P

P

I

V

L

L

S

A

Y

F

A

T

P

Q

G

G

T

S

P

P

E

E

R

R

E

D

N

A

V

L

L

Q

K

K

Q

A

Y

L

K

K

A

D

F

L

Y

-

N

K

G

G

K

R

M

M

E

E

-

A

V

I

P

P

L

C

Y

V

V

V

G

G

S

D

Q

E

E

E

I

V

K

W

T

T

G

S

T

D

T

V

E

Q

T

Y

M

Q

S

V

P

S

P

P

H

F

D

N

H

H

Q

G

H

H

V

K

V

V

G

A

H

K

Y

F

H

C

V

Y

A

A

D

D

K

K

K

S

I

L

T

L

Q

N

D

K

A

A

I

I

D

E

S

A

C

A

L

L

A

A

S

A

R

R

A

K

A

E

W

W

A

D

N

L

L

K

T

P

W

I

E

A

Q

D

R

R

A

A

A

Q

I

I

F

F

L

L

K

K

A

A

A

A

E

D

L

M

I

L

A

S

G

G

P

P

Y

R

R

R

A

A

K

E

I

I

N

L

A

A

A

K

T

T

M

M

I

V

A

G

Q

Q

S

G

K

K

T

T

I

V

H

I

Q

Q

A

A

E

E

I

I

D

D

A

A

A

A

C

A

E

E

F

L

I

I

D

D

F

F

L

F

R

R

F

F

N

N

V

A

E

K

Y

Y

M

A

S

V

Q

E

I

L

Y

E

E

G

E

Q

Q

Q

P

P

E

I

S
|
S

A

V

A
x
P

G
x
P

I
x
S

W

T

N

N

R

S

V

T

E

V

Y

Y

R

R

P

G

L

L

E

E

G

G

F

F

V

V

Y

A

A

A

I

I

T

S

P

P

F

F

N

N

F

F

T

T

A

A

I

I

A

G

G

G

N

N

L

L

P

A

A

G

S

A

A

P

A

A

M

L

M

M

G

G

N

N

V

V

V

V

L

L

W

W

K

K

P

P

S

S

D

D

S

T

Q

A

V

M

F

L

S

A

A

S

K

Y

I

A

I

V

M

Y

D

R

V

I

F

L

K

R

E

E

A

A

G

G

L

L

P

P

D

P

G

N

V

I

I

I

N

Q

M

F

V

V

M

P

G

A

D

D

P

G

V

P

M

L

I

F

T

G

E

D

T

T

V

V

L

T

S

S

N

S

A

E

N

H

F

L

S

C

G

G

L

I

H

N

F

F

T

T

G

G

S

S

T

V

H

P

V

T

F

F

K

K

E

H

L

L

W

W

K

K

Q

Q

I

V

G

A

Q

Q

N

N

I

L

H

D

T

R

Y

F

K

H

T

T

Y

F

P

P

R

R

I

L

V

A

G

G

E

E

T

C

G

G

G

G

K

K

D

N

F

F

I

H

I

F

A

V

H

H

P

R

T

S

A

A

K

D

P

V

E

E

Q

S

V

V

A

V

T

S

A

G

I

T

V

L

R

R

G

S

A

A

F

F

E

E

F

Y

Q

G

G

G

Q

Q

K

K

C

C

S

S

A

A

A

C

S

S

R

R

V

L

Y

Y

L

V

P

P

K

H

S

S

T

L

S

W

D

P

A

Q

I

I

L

K

S

G

L

R

V

L

K

L

K

E

D

E

M

H

E

S

S

R

F

I

N

K

P

V

P

G

G

D

S

P

P

A

E

E

D

D

M

F

S

G

N

T

F

F

I

F

T

S

A

A

V

V

I

I

H

D

E

A

A

K

S

S

F

F

D

A

K

R

L

I

A

K

H

K

Y

W

I

L

D

E

Q

H

A

A

K

R

A

S

D

S

E

P

N

S

A

L

E

T

I

I

Y

L

A

A

G

G

G

G

G

K

Y

C

D

D

K

D

S

S

K

V

G

G

Y

Y

F

F

I

V

E

E

P

P

T

C

V

I

I

V

L

E

T

S

K

K

D

D

P

P

K

Q

Y

E

T

P

T

I

M

M

Y

K

T

E

E

E

L

I

F

F

G

G

P

P

V

V

V

L

T

S

I

V

Y

Y

V

V

Y

Y

N

P

D

D

Q

D

D

K

W

Y

G

K

K

E

T

T

L

L

K

Q

L

L

V

V

D

D

E

S

T

T

S

T

E

S

Y

Y

A

G

L

L

T

T

G

G

A

A

V

V

L

F

S

S

R

Q

D

D

R

K

Y

D

A

V

I

V

D

Q

E

E

A

A

T

T

K

K

A

V

L

L

Q

R

N

N

C

A

A

A

G

G

N

N

F

F

Y

Y

I

I

N

N

D

D

K

K

P

S

T

T

G

G

A

S

V

I

V

V

G

G

Q

Q

Q

Q

P

P

F

F

G

G

G

G

A

A

R

R

A

A

S

S

G

G

T

T

N

N

D

D

K

K

A

P

G

G

S

G

A

P

Q

H

N

Y

L

I

L

L

R

R

W

W

V

T

S

S

P

P

R

Q

L

V

I

I

K

K

E

E

T

T

F

H

V
x
K

T

P

P

L

E

G

D

D

Y

W

R

S

Y

Y

P

A

F

Y

L

M

binding (1R,5S,9S,16R,20R,24S,28S,35R)-3,22-Bis(dihydroxyphosphoryloxy)tridecacyclo[22.14.1.15,20.19,16.128,35.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34]dotetraconta-2(23),3,6,8(17),10,12,14,18,21,25,27(36),29,31,33,37-pentadecaene: S172 (= S166), P174 (≠ A168), P175 (≠ G169), S176 (≠ I170), K537 (≠ V531)

Sites not aligning to the query:

binding (1R,5S,9S,16R,20R,24S,28S,35R)-3,22-Bis(dihydroxyphosphoryloxy)tridecacyclo[22.14.1.15,20.19,16.128,35.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34]dotetraconta-2(23),3,6,8(17),10,12,14,18,21,25,27(36),29,31,33,37-pentadecaene: 2, 7, 8

P30038 Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial; P5C dehydrogenase; Aldehyde dehydrogenase family 4 member A1; L-glutamate gamma-semialdehyde dehydrogenase; EC 1.2.1.88 from Homo sapiens (Human) (see 5 papers)
46% identity, 98% coverage: 13:541/542 of query aligns to 34:562/563 of P30038

query
sites
P30038

N

N

E

E

P

P

I

V

L

L

S

A

Y

F

A

T

P

Q

G

G

T

S

P

P

E

E

R

R

E

D

N

A

V

L

L

Q

K

K

Q

A

Y

L

K

K

A

D

F

L

Y

-

N

K

G

G

K

R

M

M

E

E

-

A

V

I

P

P

L

C

Y

V

V

V

G

G

S

D

Q

E

E

E

I

V

K

W

T

T

G

S

T

D

T

V

E

Q

T

Y

M

Q

S

V

P

S

P

P

H

F

D

N

H

H

Q

G

H

H

V

K

V

V

G

A

H

K

Y

F

H

C

V

Y

A

A

D

D

K

K

K

S

I

L

T

L

Q

N

D

K

A

A

I

I

D

E

S

A

C

A

L

L

A

A

S

A

R

R

A

K

A

E

W

W

A

D

N

L

L

K

T

P

W

I

E

A

Q

D

R

R

A

A

A

Q

I

I

F

F

L

L

K

K

A

A

A

A

E

D

L

M

I

L

A

S

G

G

P

P

Y

R

R

R

A

A

K

E

I

I

N

L

A

A

A

K

T

T

M

M

I

V

A

G

Q

Q

S

G

K

K

T

T

I

V

H

I

Q

Q

A

A

E

E

I

I

D

D

A

A

A

A

C

A

E

E

F

L

I

I

D

D

F

F

L

F

R

R

F

F

N

N

V

A

E

K

Y

Y

M

A

S

V

Q

E

I

L

Y

E

E

G

E

Q

Q

Q

P

P

E

I

S

S

A

V

A

P

G

P

I

S

W

T

N

N

R

S

V

T

E

V

Y

Y

R

R

P

G

L

L

E

E

G

G

F

F

V

V

Y

A

A

A

I

I

T

S

P

P

F

F

N

N

F

F

T

T

A

A

I

I

A

G

G

G

N

N

L

L

P

A

A

G

S

A

A

P

A

A

M

L

M

M

G

G

N

N

V

V

V

V

L

L

W

W

K

K

P

P

S

S

D

D

S

T

Q

A

V

M

F

L

S

A

A

S

K

Y

I

A

I

V

M

Y

D

R

V

I

F

L

K

R

E

E

A

A

G

G

L

L

P

P

D

P

G

N

V

I

I

I

N

Q

M

F

V

V

M

P

G

A

D

D

P

G

V

P

M

L

I

F

T

G

E

D

T

T

V

V

L

T

S

S

N

S

A

E

N

H

F

L

S

C

G

G

L

I

H

N

F

F

T

T

G

G

S

S

T

V

H

P

V

T

F

F

K

K

E

H

L

L

W

W

K

K

Q

Q

I

V

G

A

Q

Q

N

N

I

L

H

D

T

R

Y

F

K

H

T

T

Y

F

P

P

R

R

I

L

V

A

G

G

E

E

T

C

G

G

G

G

K

K

D

N

F

F

I

H

I

F

A

V

H

H

P

R

T

S

A

A

K

D

P

V

E

E

Q

S

V

V

A

V

T

S

A

G

I

T

V

L

R

R

G

S

A

A

F

F

E

E

F

Y

Q

G

G

G

Q

Q

K

K

C
|
C

S

S

A

A

A

C

S
|
S

R

R

V

L

Y

Y

L

V

P

P

K

H

S

S

T

L

S

W

D

P

A

Q

I

I

L

K

S

G

L

R

V

L

K

L

K

E

D

E

M

H

E

S

S

R

F

I

N

K

P

V

P

G

G

D

S

P

P

A

E

E

D

D

M

F

S

G

N

T

F

F

I

F

T

S

A

A

V

V

I

I

H

D

E

A

A

K

S

S

F

F

D

A

K

R

L

I

A

K

H

K

Y

W

I

L

D

E

Q

H

A

A

K

R

A

S

D

S

E

P

N

S

A

L

E

T

I

I

Y

L

A

A

G

G

G

G

G

K

Y

C

D

D

K

D

S

S

K

V

G

G

Y

Y

F

F

I

V

E

E

P

P

T

C

V

I

I

V

L

E

T

S

K

K

D

D

P

P

K

Q

Y

E

T

P

T

I

M

M

Y

K

T

E

E

E

L

I

F

F

G

G

P

P

V

V

V

L

T

S

I

V

Y

Y

V

V

Y

Y

N

P

D

D

Q

D

D

K

W

Y

G

K

K

E

T

T

L

L

K

Q

L

L

V
|
V

D

D

E

S

T

T

S

T

E

S

Y

Y

A

G

L

L

T

T

G

G

A

A

V

V

L

F

S

S

R

Q

D

D

R

K

Y

D

A

V

I

V

D

Q

E

E

A

A

T

T

K

K

A

V

L

L

Q

R

N

N

C

A

A

A

G

G

N

N

F

F

Y

Y

I

I

N

N

D

D

K

K

P

S

T

T

G

G

A

S

V

I

V

V

G

G

Q

Q

Q

Q

P

P

F

F

G

G

G

G

A

A

R

R

A

A

S

S

G

G

T

T

N

N

D

D

K

K

A

P

G

G

S

G

A

P

Q

H

N

Y

L

I

L

L

R

R

W

W

V

T

S

S

P

P

R

Q

L

V

I

I

K

K

E

E

T

T

F

H

V

K

T

P

P

L

E

G

D

D

Y

W

R

S

Y

Y

P

A

F

Y

L

M

C348 (= C327) active site, Nucleophile
S352 (= S331) to L: in HYRPRO2; allele ALDH4A1*3; loss of enzyme activity; dbSNP:rs137852937; mutation to A: Reduced affinity for NAD. No effect on enzyme activity.
V470 (= V449) to I: in dbSNP:rs2230709

Sites not aligning to the query:

1:24 modified: transit peptide, Mitochondrion
16 P → L: in allele ALDH4A1*4; dbSNP:rs146450609

3v9hA Crystal structure of human 1-pyrroline-5-carboxylate dehydrogenase mutant s352a (see paper)
46% identity, 98% coverage: 13:541/542 of query aligns to 12:540/541 of 3v9hA

query
sites
3v9hA

N

N

E

E

P

P

I

V

L

L

S

A

Y

F

A

T

P

Q

G

G

T

S

P

P

E

E

R

R

E

D

N

A

V

L

L

Q

K

K

Q

A

Y

L

K

K

A

D

F

L

Y

-

N

K

G

G

K

R

M

M

E

E

-

A

V

I

P

P

L

C

Y

V

V

V

G

G

S

D

Q

E

E

E

I

V

K

W

T

T

G

S

T

D

T

V

E

Q

T

Y

M

Q

S

V

P

S

P

P

H

F

D

N

H

H

Q

G

H

H

V

K

V

V

G

A

H

K

Y

F

H

C

V

Y

A

A

D

D

K

K

K

S

I

L

T

L

Q

N

D

K

A

A

I

I

D

E

S

A

C

A

L

L

A

A

S

A

R

R

A

K

A

E

W

W

A

D

N

L

L

K

T

P

W

I

E

A

Q

D

R

R

A

A

A

Q

I

I

F

F

L

L

K

K

A

A

A

A

E

D

L

M

I

L

A

S

G

G

P

P

Y

R

R

R

A

A

K

E

I

I

N

L

A

A

A

K

T

T

M

M

I

V

A

G

Q

Q

S

G

K

K

T

T

I

V

H

I

Q

Q

A

A

E

E

I

I

D

D

A

A

A

A

C

A

E

E

F

L

I

I

D

D

F

F

L

F

R

R

F

F

N

N

V

A

E

K

Y

Y

M

A

S

V

Q

E

I

L

Y

E

E

G

E

Q

Q

Q

P

P

E

I

S

S

A

V

A

P

G

P

I

S

W

T

N

N

R

S

V

T

E

V

Y

Y

R

R

P

G

L

L

E

E

G

G

F

F

V

V

Y

A

A

A

I

I

T

S

P

P

F

F

N
|
N

F

F

T

T

A

A

I

I

A

G

G

G

N

N

L

L

P

A

A

G

S

A

A

P

A

A

M

L

M

M

G

G

N

N

V

V

V

V

L

L

W

W

K
|
K

P

P

S

S

D

D

S

T

Q

A

V

M

F

L

S

A

A

S

K

Y

I

A

I

V

M

Y

D

R

V

I

F

L

K

R

E

E

A

A

G

G

L

L

P

P

D

P

G

N

V

I

I

I

N

Q

M

F

V

V

M

P

G

A

D

D

P

G

V

P

M

L

I

F

T

G

E

D

T

T

V

V

L

T

S

S

N

S

A

E

N

H

F

L

S

C

G

G

L

I

H

N

F

F

T

T

G

G

S

S

T

V

H

P

V

T

F

F

K

K

E

H

L

L

W

W

K

K

Q

Q

I

V

G

A

Q

Q

N

N

I

L

H

D

T

R

Y

F

K

H

T

T

Y

F

P

P

R

R

I

L

V

A

G

G

E
|
E

T

C

G

G

G

G

K

K

D

N

F

F

I

H

I

F

A

V

H

H

P

R

T

S

A

A

K

D

P

V

E

E

Q

S

V

V

A

V

T

S

A

G

I

T

V

L

R

R

G

S

A

A

F

F

E

E

F

Y

Q

G

G

G

Q

Q

K

K

C
|
C

S
|
S

A

A

A

C

S

A

R

R

V

L

Y

Y

L

V

P

P

K

H

S

S

T

L

S

W

D

P

A

Q

I

I

L

K

S

G

L

R

V

L

K

L

K

E

D

E

M

H

E

S

S

R

F

I

N

K

P

V

P

G

G

D

S

P

P

A

E

E

D

D

M

F

S

G

N

T

F

F

I

F

T

S

A

A

V

V

I

I

H

D

E

A

A

K

S

S

F

F

D

A

K

R

L

I

A

K

H

K

Y

W

I

L

D

E

Q

H

A

A

K

R

A

S

D

S

E

P

N

S

A

L

E

T

I

I

Y

L

A

A

G

G

G

G

G

K

Y

C

D

D

K

D

S

S

K

V

G

G

Y

Y

F

F

I

V

E

E

P

P

T

C

V

I

I

V

L

E

T

S

K

K

D

D

P

P

K

Q

Y

E

T

P

T

I

M

M

Y

K

T

E

E
|
E

L

I

F

F

G

G

P

P

V

V

V

L

T

S

I

V

Y

Y

V

V

Y

Y

N

P

D

D

Q

D

D

K

W

Y

G

K

K

E

T

T

L

L

K

Q

L

L

V

V

D

D

E

S

T

T

S

T

E

S

Y

Y

A

G

L

L

T

T

G

G

A

A

V

V

L

F

S

S

R

Q

D

D

R

K

Y

D

A

V

I

V

D

Q

E

E

A

A

T

T

K

K

A

V

L

L

Q

R

N

N

C

A

A

A

G

G

N

N

F

F

Y

Y

I

I

N

N

D

D

K

K

P

S

T

T

G
|
G

A
x
S

V

I

V

V

G

G

Q

Q

Q

Q

P

P

F
|
F

G

G

G

G

A

A

R

R

A

A

S

S

G

G

T

T

N

N

D

D

K

K

A
x
P

G

G

S

G

A

P

Q

H

N

Y

L

I

L

L

R

R

W

W

V

T

S

S

P

P

R

Q

L

V

I

I

K

K

E

E

T

T

F

H

V

K

T

P

P

L

E

G

D

D

Y

W

R

S

Y

Y

P

A

F

Y

L

M

active site: N189 (= N190), K211 (= K212), E292 (= E293), C326 (= C327), E425 (= E426), P510 (≠ A511)
binding sulfate ion: S327 (= S328), G490 (= G491), S491 (≠ A492), F498 (= F499)

7mesA Structure of aldh4a1 complexed with trans-4-hydroxy-d-proline (see paper)
46% identity, 95% coverage: 13:529/542 of query aligns to 3:519/523 of 7mesA

query
sites
7mesA

N

N

E

E

P

P

I

I

L

L

S

A

Y

F

A

S

P

Q

G

G

T

S

P

P

E

E

R

R

E

D

N

A

V

L

L

Q

K

K

Q

A

Y

L

K

K

A

D

F

L

Y

K

N

G

G

Q

K

T

M

E

E

A

V

I

P

P

L

C

Y

V

V

V

G

G

S

D

Q

E

E

E

I

V

K

W

T

T

G

S

T

D

T

I

E

Q

T

Y

M

Q

S

L

P

S

P

P

H

F

D

N

H

H

Q

A

H

H

V

K

V

V

G

A

H

K

Y

F

H

C

V

Y

A

A

D

D

K

K

K

A

I

L

T

L

Q

N

D

R

A

A

I

I

D

D

S

A

C

A

L

L

A

A

S

A

R

R

A

K

A

E

W

W

A

D

N

L

L

K

T

P

W

M

E

A

Q

D

R

R

A

A

A

Q

I

V

F

F

L

L

K

K

A

A

A

A

E

D

L

M

I

L

A

S

G

G

P

P

Y

R

R

R

A

A

K

E

I

V

N

L

A

A

A

K

T

T

M

M

I

V

A

G

Q

Q

S

G

K

K

T
|
T

I

V

H

I

Q
|
Q

A

A

E

E

I

I

D

D

A

A

A

A

C

A

E
|
E

F

L

I

I

D

D

F

F

L

F

R

R

F

F

N

N

V

A

E

K

Y

F

M

A

S

V

Q

E

I

L

Y

E

E

G

E

E

Q

Q

P

P

E

I

S

S

A

V

A

P

G

P

I

S

W

T

N

N

R

H

V

T

E

V

Y

Y

R

R

P

G

L

L

E

E

G

G

F

F

V

V

Y

A

A

A

I
|
I

T
x
S

P

P

F

F

N
|
N

F
|
F

T

T

A

A

I

I

A

G

G

G

N

N

L

L

P

A

A

G

S

A

A

P

A

A

M

L

M

M

G

G

N

N

V

V

V

V

L

L

W

W

K
|
K

P

P

S

S

D

D

S

T

Q

A

V

M

F

L

S

A

A

S

K

Y

I

A

I

V

M

Y

D

R

V

I

F

L

K

R

E

E

A

A

G

G

L

L

P

P

D

P

G

N

V

I

I

I

N

Q

M

F

V

V

M

P

G

A

D

D

P
x
G

V

P

M

T

I

F

T
x
G

E

D

T

T

V

V

L

T

S

S

N

S

A

E

N

H

F

L

S

C

G

G

L

I

H

N

F
|
F

T

T

G

G

S
|
S

T

V

H

P

V
x
T

F

F

K

K

E

H

L

L

W

W

K

R

Q

Q

I

V

G

A

Q

Q

N

N

I

L

H

D

T

R

Y

F

K

R

T

T

Y

F

P

P

R

R

I

L

V

A

G

G

E
|
E

T

C

G

G

G

G

K

K

D

N

F

F

I

H

I

F

A

V

H

H

P

S

T

S

A

A

K

D

P

V

E

D

Q

S

V

V

A

V

T

S

A

G

I

T

V

L

R

R

G

S

A

A

F

F

E
|
E

F

Y

Q

G

G

G

Q

Q

K

K

C
|
C

S
|
S

A

A

A

C

S

S

R

R

V

L

Y

Y

L

V

P

P

K

K

S

S

T

L

S

W

D

P

A

Q

I

I

L

K

S

G

L

R

V

L

K

L

K

E

D

E

M

H

E

S

S

R

F

I

N

K

P

V

P

G

G

D

S

P

P

A

E

E

D

D

M

F

S

G

N

T

F
|
F

I

F

T

S

A

A

V

V

I

I

H

D

E

A

A

K

S

A

F

F

D

A

K

R

L

I

A

K

H

K

Y

W

I

L

D

E

Q

H

A

A

K

R

A

S

D

S

E

P

N

S

A

L

E

S

I

I

Y

L

A

A

G

G

G

G

G

Q

Y

C

D

N

K

E

S

S

K

V

G

G

Y

Y

F

Y

I

V

E

E

P

P

T

C

V

I

I

I

L

E

T

S

K

K

D

D

P

P

K

Q

Y

E

T

P

T

I

M

M

Y

K

T

E

E
|
E

L

I

F

F

G

G

P

P

V

V

V

L

T

T

I

V

Y

Y

V

V

Y

Y

N

P

D

D

Q

D

D

K

W

Y

G

R

K

E

T

T

L

L

K

K

L

L

V

V

D

D

E

S

T

T

S

T

E

S

Y

Y

A

G

L

L

T

T

G

G

A

A

V

V

L

F

S

A

R

Q

D

D

R

K

Y

A

A

I

I

V

D

Q

E

E

A

A

T

T

K

R

A

M

L

L

Q

R

N

N

C

A

A

A

G

G

N

N

F

F

Y

Y

I

I

N

N

D

D

K

K

P

S

T

T

G
|
G

A
x
S

V

V

V

V

G

G

Q

Q

Q

Q

P

P

F
|
F

G

G

G

G

A

A

R

R

A

A

S

S

G

G

T

T

N

N

D

D

K

K

A
x
P

G

G

S

G

A

P

Q

H

N

Y

L

I

L

L

R

R

W

W

V

T

S

S

P

P

R

Q

L

V

I

I

K

K

E

E

T

T

active site: N180 (= N190), K202 (= K212), E283 (= E293), C317 (= C327), E416 (= E426), P501 (≠ A511)
binding nicotinamide-adenine-dinucleotide: I176 (= I186), S177 (≠ T187), K202 (= K212), G235 (≠ P245), G239 (≠ T249), F253 (= F263), S256 (= S266), T259 (≠ V269)
binding (4S)-4-hydroxy-D-proline: T123 (= T133), Q126 (= Q136), E134 (= E144), F181 (= F191), E311 (= E321), S318 (= S328), F356 (= F366), G481 (= G491), S482 (≠ A492), F489 (= F499)

4oe4B Crystal structure of yeast aldh4a1 complexed with NAD+ (see paper)
48% identity, 85% coverage: 36:496/542 of query aligns to 12:467/481 of 4oe4B

query
sites
4oe4B

F

F

Y

K

N

S

G

S

K

S

M

L

E

E

V

V

P

P

L

L

Y

V

V

I

G

N

S

G

Q

E

E

R

I

I

K

Y

T

D

G

N

T

N

T

E

E

R

T

A

M

L

S

F

P

P

-

Q

-

T

-

N

P

P

H

A

D

N

H

H

Q

Q

H

Q

V

V

V

L

G

A

H

N

Y

V

H

T

V

Q

A

A

D

T

K

E

K

K

I

D

T

V

Q

M

D

N

A

A

I

V

D

K

S

A

C

A

L

K

A

D

S

A

R

K

A

K

A

D

W

W

A

Y

N

N

L

L

T

P

W

F

E

Y

Q

D

R

R

A

S

A

A

I

I

F

F

L

L

K

K

A

A

A

A

E

D

L

L

I

I

A

S

G

T

P

K

Y

Y

R

R

A

Y

K

D

I

M

N

L

A

A

A

A

T

T

M

M

I

L

A

G

Q

Q

S

G

K

K

T

N

I

V

H

Y

Q

Q

A

A

E

E

I

I

D

D

A

C

A

I

C

T

E

E

F

L

I

S

D

D

F

F

L

F

R

R

F

Y

N

Y

V

V

E

K

Y

Y

M

A

S

S

Q

D

I

L

Y

Y

E

A

E

Q

Q

Q

P

P

-

V

E

E

S

S

A

A

A

D

G

G

I

T

W

W

N

N

R

K

V

A

E

E

Y

Y

R

R

P

P

L

L

E

E

G

G

F

F

V

V

Y

Y

A

A

I
x
V

T
x
S

P
|
P

F
|
F

N
|
N

F

F

T

T

A

A

I

I

A

A

G

A

N

N

L

L

P

I

A

G

S

A

A

P

A

A

M

L

M

M

G

G

N

N

V

T

V

V

L

V

W

W

K
|
K

P

P

S

S

D

Q

S

T

Q

A

V

A

F

L

S

S

A

N

K

Y

I

L

I

L

M

M

D

T

V

V

F

L

K

E

E

E

A

A

G

G

L

L

P

P

D

K

G

G

V

V

I

I

N

N

M

F

V

I

M

P

G

G

D

D

P
|
P

V

V

M

Q

I

V

T

T

E

D

T

Q

V

V

L

L

S

A

N

D

A

K

N

D

F

F

S

G

G

A

L

L

H

H

F

F

T

T

G

G

S
|
S

T

T

H

N

V
|
V

F

F

K

K

E

S

L

L

W

Y

K

G

Q

K

I

I

G

Q

Q

S

N

G

I

V

-

V

-

E

H

G

T

K

Y

Y

K

R

T

D

Y

Y

P

P

R

R

I

I

V

I

G

G

E
|
E

T

T

G

G

G

G

K

K

D

N

F

F

I

H

I

L

A

V

H

H

P

P

T

S

A

A

K

N

P

I

E

S

Q

H

V

A

A

V

T

L

A

S

I

T

V

I

R

R

G

G

A

T

F

F

E

E

F

F

Q

Q

G

G

Q

Q

K

K

C
|
C

S

S

A

A

A

A

S

S

R

R

V

L

Y

Y

L

L

P

P

K

E

S

S

T

K

S

S

D

E

A

E

I

F

L

L

S

S

L

-

V

-

K

-

K

-

D

D

M

M

E

F

S

-

F

-

N

-

P

-

P

-

G

G

S

I

P

L

E

Q

D

S

M

Q

S

R

N

G

F

F

I

M

T

G

A

P

V

V

I

I

H

H

E

E

A

Q

S

S

F

F

D

D

K

K

L

L

A

V

H

K

Y

V

I

I

D

E

Q

D

A

A

K

K

A

K

D

D

E

P

N

E

A

L

E

E

I

I

Y

L

A

Y

G

G

G

G

G

Q

Y

Y

D

D

K

K

S

S

K

Q

G

G

Y

W

F

F

I

V

E

G

P

P

T

T

V

V

I

I

L

K

T

A

K

K

D

R

P

P

K

D

Y

H

T

P

T

Y

M

M

Y

S

T

T

E
|
E

L

F

F

F

G

G

P

P

V

I

V

L

T

T

I

V

Y

Y

V

E

Y

Y

N

P

D

D

Q

T

D

E

W

F

G

N

K

E

T

I

L

C

K

D

L

I

V

I

D

D

E

N

T

T

S

-

E

-

Y

Y

A

A

L

L

T

T

G

G

A

A

V

I

L

F

S

A

R

K

D

D

R

R

Y

K

A

A

I

I

D

E

E

Y

A

A

T

D

K

E

A

K

L

L

Q

K

N

F

C

S

A

A

G

G

N

N

F

F

Y

Y

I

I

N

N

D

D

K

K

P

C

T

T

G

G

A

N

V

I

V

L

G

S

Q

R

active site: N170 (= N190), K192 (= K212), E275 (= E293), C309 (= C327), E399 (= E426)
binding nicotinamide-adenine-dinucleotide: V166 (≠ I186), S167 (≠ T187), P168 (= P188), F169 (= F189), K192 (= K212), P225 (= P245), S246 (= S266), V249 (= V269)

2j5nA 1-pyrroline-5-carboxylate dehydrogenase from thermus thermophirus with bound inhibitor glycine and NAD.
31% identity, 96% coverage: 13:530/542 of query aligns to 8:516/516 of 2j5nA

query
sites
2j5nA

N

N

E

E

P

P

I

I

L

E

S

T

Y

F

A

Q

P

T

G

E

T

E

P

A

E

R

R

R

-

A

-

M

E

R

N

E

V

A

L

L

K

R

Q

R

Y

V

K

R

A

E

F

E

Y

F

N

G

G

-

K

-

M

R

E

H

V

Y

P

P

L

L

Y

Y

V

I

G

G

S

G

Q

E

E

W

I

V

K

D

T

T

G

K

T

E

T

R

E

M

T

V

M

S

S

L

P

N

P

P

H

S

D

A

H

P

Q

S

H

E

V

V

V

V

G

G

H

T

Y

T

H

A

V

K

A

A

D

G

K

K

K

A

I

E

T

A

Q

E

D

A

A

A

I

L

D

E

S

A

C

A

L

W

A

K

S

A

R

F

A

K

A

T

W

W

A

K

N

D

L

W

T

P

W

Q

E

E

Q

D

R

R

A

S

A

R

I

L

F

L

L

L

K

K

A

A

A

A

E

A

L

L

I

M

A

R

G

R

P

R

Y

K

R

R

A

-

K

E

I

L

N

E

A

A

A

T

T

L

M

V

I

Y

A

E

Q

V

S

G

K

K

T

N

I

W

H

V

Q

E

A

A

E

S

I

A

D

D

A

V

A

A

C

-

E

E

F

A

I

I

D

D

F

F

L

I

-

E

-

Y

-

Y

-

A

R

R

F

A

N

A

V

L

E

R

Y

Y

M

R

S

Y

Q

P

I

A

Y

V

E

E

E

V

Q

V

P

P

E

-

S

-

A

Y

A

P

G

G

I

E

W

D

N

N

R

E

V

S

E

F

Y

Y

R

V

P

P

L

L

E

-

G

G

F

A

V

G

Y

V

A

V

I
|
I

T
x
A

P
|
P

F
x
W

N
|
N

F

F

-

P

T

V

A

A

I
|
I

A

F

G

T

N

G

L

M

P

I

A

V

S

G

A

P

A

V

M

A

M

V

G

G

N

N

V

T

V

V

L

I

W

A

K
|
K

P

P

S

A

D
x
E

S

D

Q

A

V

V

F

V

S

V

A

G

K

A

I

K

I

V

M

F

D

E

V

I

F

F

K

H

E

E

A

A

G

G

L

F

P

P

D

P

G

G

V

V

I

V

N

N

M

F

V

L

M

P

G

G

D

V

P
x
G

V

E

M

E

I

V

T

G

E

A

T

Y

V

L

L

V

S

E

N

H

A

P

N

R

F

I

S

R

G

F

L

I

H

N

F
|
F

T
|
T

G
|
G

S
|
S

T

L

H

E

V
|
V

F

G

K

L

E

K

L

I

W

Y

K

E

Q

A

I

A

G

G

Q

R

N

L

I

A

H

P

T

G

Y

Q

K

T

T

W

Y

F

P

K

R

R

I

A

V

Y

G

V

E
|
E

T
|
T

G

G

G

G

K

K

D

D

F

A

I

I

I

I

A

V

H

D

P

E

T

T

A

A

K

D

P

F

E

D

Q

L

V

A

A

A

T

E

A

G

I

V

V

V

R

V

G

S

A

A

F

Y

E

G

F

F

Q

Q

G

G

Q

Q

K

K

C
|
C

S
|
S

A

A

A

A

S

S

R

R

V

L

Y

I

L

L

P

T

K

Q

S

G

T

A

S

Y

D

E

A

P

I

V

L

L

S

E

L

R

V

V

K

L

K

K

D

R

M

A

E

E

S

R

F

L

N

S

P

V

P

-

G

-

S

G

P

P

E

A

D

E

M

E

S

N

N

P

F

D

I

L

T

G

A

P

V

V

I

V

H

S

E

A

A

E

S

Q

F

E

D

R

K

K

L

V

A

L

H

S

Y

Y

I

I

D

E

Q

I

A

G

K

K

A

N

D

E

E

-

N

-

A

G

E

Q

I

L

Y

V

A

L

G

G

G

G

G

K

Y

R

D

L

K

E

S

G

K

E

G

G

Y

Y

F

F

I

I

E

A

P

P

T

T

V

V

I

F

L

T

T

E

K

V

D

P

P

P

K

K

Y

A

T

R

T

I

M

A

Y

Q

T

E

E
|
E

L

I

F
|
F

G

G

P

P

V

V

V

L

T

S

I

-

Y

-

V

V

Y

I

N

R

D

V

Q

K

D

D

W

F

G

A

K

E

T

A

L

L

K

E

L

V

V

A

D

N

E

D

T

T

S

P

E

-

Y

Y

A

G

L

L

T

T

G

G

A

G

V

V

L

Y

S

S

R

R

D

K

R

R

Y

E

A

H

I

L

D

E

E

W

A

A

T

R

K

R

A

E

L

F

Q

H

N

-

C

-

A

V

G

G

N

N

F

L

Y

Y

I

F

N

N

D

R

K

K

P

I

T

T

G
|
G

A
|
A

V

L

V

V

G

G

Q

V

Q

Q

P

P

F
|
F

G

G

G

G

A

F

R

K

A

L

S

S

G

G

T

T

N

N

D

A

K

K

A
x
T

G

G

S

A

A

L

Q

D

N

Y

L

L

L

R

R

L

W

F

V

L

S

E

P

M

R

K

L

A

I

V

K

A

E

E

T

R

F

F

active site: N184 (= N190), K207 (= K212), E288 (= E293), C322 (= C327), E417 (= E426), T497 (≠ A511)
binding glycine: S323 (= S328), G477 (= G491), A478 (= A492), F485 (= F499)
binding nicotinamide-adenine-dinucleotide: I180 (= I186), A181 (≠ T187), P182 (= P188), W183 (≠ F189), N184 (= N190), I189 (= I194), K207 (= K212), E210 (≠ D215), G240 (≠ P245), F258 (= F263), T259 (= T264), G260 (= G265), S261 (= S266), V264 (= V269), E288 (= E293), T289 (= T294), C322 (= C327), E417 (= E426), F419 (= F428)

2ej6A Crystal analysis of delta1-pyrroline-5-carboxylate dehydrogenase from thermus thermophilus with bound d-proline
31% identity, 96% coverage: 13:530/542 of query aligns to 8:516/516 of 2ej6A

query
sites
2ej6A

N

N

E

E

P

P

I

I

L

E

S

T

Y

F

A

Q

P

T

G

E

T

E

P

A

E

R

R

R

-

A

-

M

E

R

N

E

V

A

L

L

K

R

Q

R

Y

V

K

R

A

E

F

E

Y

F

N

G

G

-

K

-

M

R

E

H

V

Y

P

P

L

L

Y

Y

V

I

G

G

S

G

Q

E

E

W

I

V

K

D

T

T

G

K

T

E

T

R

E

M

T

V

M

S

S

L

P

N

P

P

H

S

D

A

H

P

Q

S

H

E

V

V

V

V

G

G

H

T

Y

T

H

A

V

K

A

A

D

G

K

K

K

A

I

E

T

A

Q

E

D

A

A

A

I

L

D

E

S

A

C

A

L

W

A

K

S

A

R

F

A

K

A

T

W

W

A

K

N

D

L

W

T

P

W

Q

E

E

Q

D

R

R

A

S

A

R

I

L

F

L

L

L

K

K

A

A

A

A

E

A

L

L

I

M

A

R

G

R

P

R

Y

K

R

R

A

-

K

E

I

L

N

E

A

A

A

T

T

L

M

V

I

Y

A

E

Q

V

S

G

K

K

T

N

I

W

H

V

Q

E

A

A

E

S

I

A

D

D

A

V

A

A

C

-

E
|
E

F

A

I

I

D

D

F

F

L

I

-

E

-

Y

-

Y

-

A

R

R

F

A

N

A

V

L

E

R

Y

Y

M

R

S

Y

Q

P

I

A

Y

V

E

E

E

V

Q

V

P

P

E

-

S

-

A

Y

A

P

G

G

I

E

W

D

N

N

R

E

V

S

E

F

Y

Y

R

V

P

P

L

L

E

-

G

G

F

A

V

G

Y

V

A

V

I

I

T

A

P

P

F

W

N
|
N

F
|
F

-

P

T

V

A

A

I

I

A

F

G

T

N

G

L

M

P

I

A

V

S

G

A

P

A

V

M

A

M

V

G

G

N

N

V

T

V

V

L

I

W

A

K
|
K

P

P

S

A

D

E

S

D

Q

A

V

V

F

V

S

V

A

G

K

A

I

K

I

V

M

F

D

E

V

I

F

F

K

H

E

E

A

A

G

G

L

F

P

P

D

P

G

G

V

V

I

V

N

N

M

F

V

L

M

P

G

G

D

V

P

G

V

E

M

E

I

V

T

G

E

A

T

Y

V

L

L

V

S

E

N

H

A

P

N

R

F

I

S

R

G

F

L

I

H

N

F

F

T

T

G

G

S

S

T

L

H

E

V

V

F

G

K

L

E

K

L

I

W

Y

K

E

Q

A

I

A

G

G

Q

R

N

L

I

A

H

P

T

G

Y

Q

K

T

T

W

Y

F

P

K

R

R

I

A

V

Y

G

V

E
|
E

T

T

G

G

G

G

K

K

D

D

F

A

I

I

I

I

A

V

H

D

P

E

T

T

A

A

K

D

P

F

E

D

Q

L

V

A

A

A

T

E

A

G

I

V

V

V

R

V

G

S

A

A

F

Y

E

G

F

F

Q

Q

G

G

Q

Q

K

K

C
|
C

S
|
S

A

A

A

A

S

S

R

R

V

L

Y

I

L

L

P

T

K

Q

S

G

T

A

S

Y

D

E

A

P

I

V

L

L

S

E

L

R

V

V

K

L

K

K

D

R

M

A

E

E

S

R

F

L

N

S

P

V

P

-

G

-

S

G

P

P

E

A

D

E

M

E

S

N

N

P

F

D

I

L

T

G

A

P

V

V

I

V

H

S

E

A

A

E

S

Q

F

E

D

R

K

K

L

V

A

L

H

S

Y

Y

I

I

D

E

Q

I

A

G

K

K

A

N

D

E

E

-

N

-

A

G

E

Q

I

L

Y

V

A

L

G

G

G

G

G

K

Y

R

D

L

K

E

S

G

K

E

G

G

Y

Y

F

F

I

I

E

A

P

P

T

T

V

V

I

F

L

T

T

E

K

V

D

P

P

P

K

K

Y

A

T

R

T

I

M

A

Y

Q

T

E

E
|
E

L

I

F

F

G

G

P

P

V

V

V

L

T

S

I

-

Y

-

V

V

Y

I

N

R

D

V

Q

K

D

D

W

F

G

A

K

E

T

A

L

L

K

E

L

V

V

A

D

N

E

D

T

T

S

P

E

-

Y

Y

A

G

L

L

T

T

G

G

A

G

V

V

L

Y

S

S

R

R

D

K

R

R

Y

E

A

H

I

L

D

E

E

W

A

A

T

R

K

R

A

E

L

F

Q

H

N

-

C

-

A

V

G

G

N

N

F

L

Y

Y

I

F

N

N

D

R

K

K

P

I

T

T

G
|
G

A
|
A

V

L

V

V

G

G

Q

V

Q

Q

P

P

F
|
F

G

G

G

G

A

F

R

K

A

L

S

S

G

G

T

T

N

N

D

A

K

K

A
x
T

G

G

S

A

A

L

Q

D

N

Y

L

L

L

R

R

L

W

F

V

L

S

E

P

M

R

K

L

A

I

V

K

A

E

E

T

R

F

F

active site: N184 (= N190), K207 (= K212), E288 (= E293), C322 (= C327), E417 (= E426), T497 (≠ A511)
binding d-proline: E137 (= E144), F185 (= F191), S323 (= S328), G477 (= G491), A478 (= A492), F485 (= F499)

2eitA Crystal analysis of delta1-pyrroline-5-carboxylate dehydrogenase from thermus thermophilus with bound l-alanine and NAD
31% identity, 96% coverage: 13:530/542 of query aligns to 8:516/516 of 2eitA

query
sites
2eitA

N

N

E

E

P

P

I

I

L

E

S

T

Y

F

A

Q

P

T

G

E

T

E

P

A

E

R

R

R

-

A

-

M

E

R

N

E

V

A

L

L

K

R

Q

R

Y

V

K

R

A

E

F

E

Y

F

N

G

G

-

K

-

M

R

E

H

V

Y

P

P

L

L

Y

Y

V

I

G

G

S

G

Q

E

E

W

I

V

K

D

T

T

G

K

T

E

T

R

E

M

T

V

M

S

S

L

P

N

P

P

H

S

D

A

H

P

Q

S

H

E

V

V

V

V

G

G

H

T

Y

T

H

A

V

K

A

A

D

G

K

K

K

A

I

E

T

A

Q

E

D

A

A

A

I

L

D

E

S

A

C

A

L

W

A

K

S

A

R

F

A

K

A

T

W

W

A

K

N

D

L

W

T

P

W

Q

E

E

Q

D

R

R

A

S

A

R

I

L

F

L

L

L

K

K

A

A

A

A

E

A

L

L

I

M

A

R

G

R

P

R

Y

K

R

R

A

-

K

E

I

L

N

E

A

A

A

T

T

L

M

V

I

Y

A

E

Q

V

S

G

K

K

T

N

I

W

H

V

Q

E

A

A

E

S

I

A

D

D

A

V

A

A

C

-

E

E

F

A

I

I

D

D

F

F

L

I

-

E

-

Y

-

Y

-

A

R

R

F

A

N

A

V

L

E

R

Y

Y

M

R

S

Y

Q

P

I

A

Y

V

E

E

E

V

Q

V

P

P

E

-

S

-

A

Y

A

P

G

G

I

E

W

D

N

N

R

E

V

S

E

F

Y

Y

R

V

P

P

L

L

E

-

G

G

F

A

V

G

Y

V

A

V

I
|
I

T
x
A

P

P

F
x
W

N
|
N

F

F

-

P

T

V

A

A

I
|
I

A

F

G

T

N

G

L

M

P

I

A

V

S

G

A

P

A

V

M

A

M

V

G

G

N

N

V

T

V

V

L

I

W

A

K
|
K

P

P

S

A

D
x
E

S

D

Q

A

V

V

F

V

S

V

A

G

K

A

I

K

I

V

M

F

D

E

V

I

F

F

K

H

E

E

A

A

G

G

L

F

P

P

D

P

G

G

V

V

I

V

N

N

M

F

V

L

M

P

G

G

D

V

P
x
G

V
x
E

M

E

I

V

T
x
G

E

A

T

Y

V

L

L

V

S

E

N

H

A

P

N

R

F

I

S

R

G

F

L

I

H

N

F
|
F

T
|
T

G
|
G

S
|
S

T

L

H

E

V
|
V

F

G

K

L

E

K

L

I

W

Y

K

E

Q

A

I

A

G

G

Q

R

N

L

I

A

H

P

T

G

Y

Q

K

T

T

W

Y

F

P

K

R

R

I

A

V

Y

G

V

E
|
E

T

T

G
|
G

G

G

K

K

D

D

F

A

I

I

I

I

A

V

H

D

P

E

T

T

A

A

K

D

P

F

E

D

Q

L

V

A

A

A

T

E

A

G

I

V

V

V

R

V

G

S

A

A

F

Y

E

G

F

F

Q

Q

G

G

Q

Q

K

K

C
|
C

S
|
S

A

A

A

A

S

S

R

R

V

L

Y

I

L

L

P

T

K

Q

S

G

T

A

S

Y

D

E

A

P

I

V

L

L

S

E

L

R

V

V

K

L

K

K

D

R

M

A

E

E

S

R

F

L

N

S

P

V

P

-

G

-

S

G

P

P

E

A

D

E

M

E

S

N

N

P

F

D

I

L

T

G

A

P

V

V

I

V

H

S

E

A

A

E

S

Q

F

E

D

R

K

K

L

V

A

L

H

S

Y

Y

I

I

D

E

Q

I

A

G

K

K

A

N

D

E

E

-

N

-

A

G

E

Q

I

L

Y

V

A

L

G

G

G

G

G

K

Y

R

D

L

K

E

S

G

K

E

G

G

Y

Y

F

F

I

I

E

A

P

P

T

T

V

V

I

F

L

T

T

E

K

V

D

P

P

P

K

K

Y

A

T

R

T

I

M

A

Y

Q

T

E

E
|
E

L

I

F
|
F

G

G

P

P

V

V

V

L

T

S

I

-

Y

-

V

V

Y

I

N

R

D

V

Q

K

D

D

W

F

G

A

K

E

T

A

L

L

K

E

L

V

V

A

D

N

E

D

T

T

S

P

E

-

Y

Y

A

G

L

L

T

T

G

G

A

G

V

V

L

Y

S

S

R

R

D

K

R

R

Y

E

A

H

I

L

D

E

E

W

A

A

T

R

K

R

A

E

L

F

Q

H

N

-

C

-

A

V

G

G

N

N

F

L

Y

Y

I

F

N

N

D

R

K

K

P

I

T

T

G
|
G

A
|
A

V

L

V

V

G

G

Q

V

Q

Q

P

P

F
|
F

G

G

G

G

A

F

R

K

A

L

S

S

G

G

T

T

N

N

D

A

K

K

A
x
T

G

G

S

A

A

L

Q

D

N

Y

L

L

L

R

R

L

W

F

V

L

S

E

P

M

R

K

L

A

I

V

K

A

E

E

T

R

F

F

active site: N184 (= N190), K207 (= K212), E288 (= E293), C322 (= C327), E417 (= E426), T497 (≠ A511)
binding alanine: S323 (= S328), G477 (= G491), A478 (= A492), F485 (= F499)
binding nicotinamide-adenine-dinucleotide: I180 (= I186), A181 (≠ T187), W183 (≠ F189), N184 (= N190), I189 (= I194), K207 (= K212), E210 (≠ D215), G240 (≠ P245), E241 (≠ V246), G244 (≠ T249), F258 (= F263), T259 (= T264), G260 (= G265), S261 (= S266), V264 (= V269), E288 (= E293), G290 (= G295), C322 (= C327), E417 (= E426), F419 (= F428)

2eiiA Crystal analysis of delta1-pyrroline-5-carboxylate dehydrogenase from thermus thermophilus with bound l-valine and NAD.
31% identity, 96% coverage: 13:530/542 of query aligns to 8:516/516 of 2eiiA

query
sites
2eiiA

N

N

E

E

P

P

I

I

L

E

S

T

Y

F

A

Q

P

T

G

E

T

E

P

A

E

R

R

R

-

A

-

M

E

R

N

E

V

A

L

L

K

R

Q

R

Y

V

K

R

A

E

F

E

Y

F

N

G

G

-

K

-

M

R

E

H

V

Y

P

P

L

L

Y

Y

V

I

G

G

S

G

Q

E

E

W

I

V

K

D

T

T

G

K

T

E

T

R

E

M

T

V

M

S

S

L

P

N

P

P

H

S

D

A

H

P

Q

S

H

E

V

V

V

V

G

G

H

T

Y

T

H

A

V

K

A

A

D

G

K

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F

active site: N184 (= N190), K207 (= K212), E288 (= E293), C322 (= C327), E417 (= E426), T497 (≠ A511)
binding nicotinamide-adenine-dinucleotide: I180 (= I186), A181 (≠ T187), P182 (= P188), W183 (≠ F189), N184 (= N190), I189 (= I194), K207 (= K212), E210 (≠ D215), G240 (≠ P245), E241 (≠ V246), G244 (≠ T249), F258 (= F263), T259 (= T264), G260 (= G265), S261 (= S266), V264 (= V269), E288 (= E293), T289 (= T294), C322 (= C327), E417 (= E426), F419 (= F428)
binding valine: E137 (= E144), F185 (= F191), S323 (= S328), G477 (= G491), A478 (= A492), F485 (= F499)

Query Sequence

>WP_054560547.1 NCBI__GCF_001306415.1:WP_054560547.1
MGKGFFQVPTAINEPILSYAPGTPERENVLKQYKAFYNGKMEVPLYVGSQEIKTGTTETM
SPPHDHQHVVGHYHVADKKITQDAIDSCLASRAAWANLTWEQRAAIFLKAAELIAGPYRA
KINAATMIAQSKTIHQAEIDAACEFIDFLRFNVEYMSQIYEEQPESAAGIWNRVEYRPLE
GFVYAITPFNFTAIAGNLPASAAMMGNVVLWKPSDSQVFSAKIIMDVFKEAGLPDGVINM
VMGDPVMITETVLSNANFSGLHFTGSTHVFKELWKQIGQNIHTYKTYPRIVGETGGKDFI
IAHPTAKPEQVATAIVRGAFEFQGQKCSAASRVYLPKSTSDAILSLVKKDMESFNPPGSP
EDMSNFITAVIHEASFDKLAHYIDQAKADENAEIYAGGGYDKSKGYFIEPTVILTKDPKY
TTMYTELFGPVVTIYVYNDQDWGKTLKLVDETSEYALTGAVLSRDRYAIDEATKALQNCA
GNFYINDKPTGAVVGQQPFGGARASGTNDKAGSAQNLLRWVSPRLIKETFVTPEDYRYPF
LG

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