SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing BWI76_RS10795 FitnessBrowser__Koxy:BWI76_RS10795 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)

9dl6A Bifunctional protein PutA (see paper)
59% identity, 94% coverage: 77:1320/1320 of query aligns to 4:1218/1218 of 9dl6A

query
sites
9dl6A

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binding (3S)-piperidine-3-carboxylic acid: E659 (= E745), F693 (= F780), R828 (= R916), C829 (= C917), S830 (= S918), G987 (= G1080), A988 (= A1081)
binding flavin-adenine dinucleotide: D291 (= D370), A292 (= A371), V323 (= V402), R352 (= R431), V354 (= V433), K355 (= K434), G356 (= G435), A357 (= A436), W359 (= W438), F377 (≠ Y456), T378 (= T457), R379 (= R458), K380 (= K459), T383 (= T462), A406 (= A485), T407 (= T486), H408 (= H487), N409 (= N488), Q432 (= Q511), C433 (= C512), Y458 (= Y540), E477 (= E559), S483 (= S565), F484 (= F566)
binding (3R)-piperidine-3-carboxylic acid: E659 (= E745), F693 (= F780), I697 (= I784), R828 (= R916), C829 (= C917), S830 (= S918), G987 (= G1080), A988 (= A1081), F995 (= F1088)
binding nicotinamide-adenine-dinucleotide: I688 (= I775), S689 (= S776), P690 (= P777), W691 (= W778), N692 (= N779), I697 (= I784), K715 (= K802), A717 (= A804), E718 (= E805), G748 (= G835), G751 (= G839), A752 (= A840), T766 (= T854), G767 (= G855), S768 (= S856), V771 (= V859), I775 (≠ L863), E795 (= E883), T796 (= T884), C829 (= C917), E925 (= E1018), F927 (= F1020), F995 (= F1088)

6x9dA Structure of proline utilization a with trans-4-hydroxy-l-proline bound in the l-glutamate-gamma-semialdehyde dehydrogenase active site (see paper)
59% identity, 94% coverage: 77:1320/1320 of query aligns to 4:1218/1218 of 6x9dA

query
sites
6x9dA

P

P

F

F

L

A

D

D

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A

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G

G

active site: N692 (= N779), K715 (= K802), E795 (= E883), C829 (= C917), E925 (= E1018), A1007 (= A1100)
binding flavin-adenine dinucleotide: D291 (= D370), A292 (= A371), V323 (= V402), Q325 (= Q404), R352 (= R431), V354 (= V433), K355 (= K434), G356 (= G435), A357 (= A436), Y358 (= Y437), W359 (= W438), F377 (≠ Y456), T378 (= T457), R379 (= R458), K380 (= K459), T383 (= T462), A406 (= A485), T407 (= T486), H408 (= H487), N409 (= N488), Q432 (= Q511), C433 (= C512), E477 (= E559), S483 (= S565), F484 (= F566)
binding 4-hydroxyproline: E659 (= E745), F693 (= F780), I697 (= I784), R828 (= R916), S830 (= S918), G987 (= G1080), A988 (= A1081), F995 (= F1088)
binding nicotinamide-adenine-dinucleotide: I688 (= I775), S689 (= S776), P690 (= P777), W691 (= W778), N692 (= N779), I697 (= I784), K715 (= K802), A717 (= A804), E718 (= E805), G748 (= G835), G751 (= G839), A752 (= A840), T766 (= T854), G767 (= G855), S768 (= S856), V771 (= V859), E795 (= E883), T796 (= T884), C829 (= C917), E925 (= E1018), F927 (= F1020), F995 (= F1088)

7mybA Structure of proline utilization a with tetrahydrothiophene-2- carboxylate bound in the proline dehydrogenase active site (see paper)
59% identity, 94% coverage: 77:1320/1320 of query aligns to 4:1217/1217 of 7mybA

query
sites
7mybA

P

P

F

F

L

A

D

D

F

F

A

A

E

P

Q

P

I

V

L

R

P

P

Q

Q

S

S

V

T

S

L

R

R

A

R

S

A

I

I

T

T

A

A

A

A

W

Y

R

R

W

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A

P

E

E

T

T

D

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A

C

V

L

P

P

M

P

L

L

L

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Q

A

A

A

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L

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L

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A

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A

H

A

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L

T

A

A

Y

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K

L

L

A

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E

K

A

L

L

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N

G

Q

K

K

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T

S

A

G

S

S

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G

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-

A

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G

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M

-

V

V

Q

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S

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L

L

L

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Q

Q

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F

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M

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G

G

binding flavin-adenine dinucleotide: D290 (= D370), A291 (= A371), V322 (= V402), Q324 (= Q404), R351 (= R431), V353 (= V433), K354 (= K434), G355 (= G435), A356 (= A436), Y357 (= Y437), W358 (= W438), F376 (≠ Y456), T377 (= T457), R378 (= R458), K379 (= K459), T382 (= T462), A405 (= A485), T406 (= T486), H407 (= H487), N408 (= N488), C432 (= C512), L433 (= L513), E476 (= E559), S482 (= S565), F483 (= F566)
binding nicotinamide-adenine-dinucleotide: I687 (= I775), S688 (= S776), P689 (= P777), W690 (= W778), N691 (= N779), I696 (= I784), K714 (= K802), E717 (= E805), G747 (= G835), G750 (= G839), T765 (= T854), G766 (= G855), S767 (= S856), V770 (= V859), I774 (≠ L863), E794 (= E883), T795 (= T884), C828 (= C917), E924 (= E1018), F926 (= F1020), F994 (= F1088)
binding (2S)-thiolane-2-carboxylic acid: K249 (= K329), Y457 (= Y540), Y469 (= Y552), R472 (= R555), R473 (= R556)
binding (2R)-thiolane-2-carboxylic acid: K249 (= K329), D290 (= D370), Y457 (= Y540), Y469 (= Y552), R472 (= R555), R473 (= R556)

7myaA Structure of proline utilization a with the fad covalently-modified by 1,3-dithiolane (see paper)
59% identity, 94% coverage: 77:1320/1320 of query aligns to 4:1217/1217 of 7myaA

query
sites
7myaA

P

P

F

F

L

A

D

D

F

F

A

A

E

P

Q

P

I

V

L

R

P

P

Q

Q

S

S

V

T

S

L

R

R

A

R

S

A

I

I

T

T

A

A

A

A

W

Y

R

R

W

R

A

P

E

E

T

T

D

E

A

C

V

L

P

P

M

P

L

L

L

V

E

E

Q

A

A

A

R

T

L

Q

P

S

Q

K

T

E

L

I

G

R

E

D

Q

A

A

A

H

A

K

S

L

T

A

A

Y

R

Q

K

L

L

A

I

E

E

K

A

L

L

R

R

N

G

Q

K

K

H

T

S

A

G

S

S

G

G

R

-

A

-

G

-

M

-

V

V

Q

E

S

G

L

L

L

V

Q

Q

E

E

F

Y

S

S

L

L

S

S

S

S

Q

Q

E

E

G

G

V

V

A

A

L

L

M

M

C

C

L

L

A

A

E

E

A

A

L

L

L

L

R

R

I

I

P

P

D

D

K

T

A

A

T

T

R

R

D

D

A

A

L

L

I

I

R

R

D

D

K

K

I

I

S

A

N

D

G

G

N

N

W

W

Q

K

S

S

H

H

I

L

G

-

R

-

S

-

P

R

S

S

L

L

F

F

V

V

N

N

A

A

A

A

T

T

W

W

G

G

L

L

L

V

F

V

T

T

G

G

K

K

L

L

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S

S

P

T

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N

N

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S

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L

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M

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M

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G

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N

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K

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Y

Y

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M

M

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G

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A

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D

A

D

D

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Q

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Y

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K

K

A

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N

A

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Y

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Y

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D

D

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G

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N

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D

A
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A

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W

N

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G

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|
V

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Q
|
Q

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|
V

K
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K

G
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G

A
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A

Y

Y

W
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W

D

D

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A

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E

I

I

K

K

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L

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x
F

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|
T

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K
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K

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T

D

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V

V

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S

Y

Y

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A
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A

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T

H
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H

N
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N

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|
L

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|
Y

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L

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Y

Y

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L

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V

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L

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|
E

N

N

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G

A

A

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C

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I
|
I

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|
S

P
|
P

W
|
W

N
|
N

F

F

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P

L

L

A

A

I
|
I

F

F

S

T

G

G

Q

Q

I

I

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L

L

A

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A

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G

N

N

T

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L

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K
|
K

P

P

A
|
A

E
|
E

Q

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G

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D

G
|
G

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-

V

V

G
|
G

A
|
A

A

A

L

L

T

V

S

A

D

A

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A

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G

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M

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F

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|
T

G
|
G

S
|
S

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|
V

A

A

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L

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|
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C
|
C

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L

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C

C

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|
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|
F

G

G

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L

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A

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F
|
F

G

G

G

G

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R

G

G

L

L

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S

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G

T

T

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G

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G

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N

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C

L

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L

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S

L

A

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S

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N

N

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A

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G

G

G

G

N

N

A

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S

S

L

L

M

M

T

A

I

I

G
|
G

binding nicotinamide-adenine-dinucleotide: I687 (= I775), S688 (= S776), P689 (= P777), W690 (= W778), N691 (= N779), I696 (= I784), K714 (= K802), A716 (= A804), E717 (= E805), G747 (= G835), G750 (= G839), A751 (= A840), T765 (= T854), G766 (= G855), S767 (= S856), V770 (= V859), E794 (= E883), T795 (= T884), C828 (= C917), E924 (= E1018), F926 (= F1020), F994 (= F1088)
binding [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[5-(1,3-dithiolan-2-yl)-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate: D290 (= D370), A291 (= A371), V322 (= V402), Q324 (= Q404), V353 (= V433), K354 (= K434), G355 (= G435), A356 (= A436), W358 (= W438), F376 (≠ Y456), T377 (= T457), R378 (= R458), K379 (= K459), T382 (= T462), A405 (= A485), T406 (= T486), H407 (= H487), N408 (= N488), Q431 (= Q511), C432 (= C512), L433 (= L513), Y457 (= Y540), E476 (= E559), G1217 (= G1320)

6x99A Structure of proline utilization a with d-proline bound in the l- glutamate-gamma-semialdehyde dehydrogenase active site (see paper)
59% identity, 94% coverage: 77:1320/1320 of query aligns to 4:1216/1216 of 6x99A

query
sites
6x99A

P

P

F

F

L

A

D

D

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F

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A

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G

G

active site: N690 (= N779), K713 (= K802), E793 (= E883), C827 (= C917), E923 (= E1018), A1005 (= A1100)
binding d-proline: W557 (= W645), T558 (≠ Q646), E657 (= E745), F691 (= F780), R727 (≠ A816), R826 (= R916), S828 (= S918), G985 (= G1080), A986 (= A1081), F993 (= F1088)
binding flavin-adenine dinucleotide: D289 (= D370), A290 (= A371), V321 (= V402), R350 (= R431), V352 (= V433), K353 (= K434), G354 (= G435), A355 (= A436), Y356 (= Y437), W357 (= W438), F375 (≠ Y456), T376 (= T457), R377 (= R458), K378 (= K459), T381 (= T462), A404 (= A485), T405 (= T486), H406 (= H487), N407 (= N488), Q430 (= Q511), C431 (= C512), Y456 (= Y540), E475 (= E559), S481 (= S565), F482 (= F566)

7my9A Structure of proline utilization a with 1,3-dithiolane-2-carboxylate bound in the proline dehydrogenase active site (see paper)
59% identity, 94% coverage: 77:1320/1320 of query aligns to 4:1216/1216 of 7my9A

query
sites
7my9A

P

P

F

F

L

A

D

D

F

F

A

A

E

P

Q

P

I

V

L

R

P

P

Q

Q

S

S

V

T

S

L

R

R

A

R

S

A

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I

T

T

A

A

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W

Y

R

R

W

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P

E

E

T

T

D

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A

C

V

L

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M

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A

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A

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L

L

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A

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M

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V

Q

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L

L

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G

G

binding flavin-adenine dinucleotide: D289 (= D370), A290 (= A371), V321 (= V402), Q323 (= Q404), R350 (= R431), V352 (= V433), K353 (= K434), G354 (= G435), A355 (= A436), Y356 (= Y437), W357 (= W438), F375 (≠ Y456), T376 (= T457), R377 (= R458), K378 (= K459), T381 (= T462), A404 (= A485), T405 (= T486), H406 (= H487), N407 (= N488), C431 (= C512), L432 (= L513), E475 (= E559), S481 (= S565), F482 (= F566)
binding nicotinamide-adenine-dinucleotide: I686 (= I775), S687 (= S776), P688 (= P777), W689 (= W778), N690 (= N779), I695 (= I784), K713 (= K802), A715 (= A804), E716 (= E805), G746 (= G835), G749 (= G839), A750 (= A840), T764 (= T854), G765 (= G855), S766 (= S856), V769 (= V859), E793 (= E883), T794 (= T884), C827 (= C917), E923 (= E1018), F925 (= F1020), F993 (= F1088)
binding 1,3-dithiolane-2-carboxylic acid: Y456 (= Y540), Y468 (= Y552), R471 (= R555), R472 (= R556)

9e0cA Bifunctional protein PutA (see paper)
59% identity, 94% coverage: 77:1320/1320 of query aligns to 4:1216/1216 of 9e0cA

query
sites
9e0cA

P

P

F

F

L

A

D

D

F

F

A

A

E

P

Q

P

I

V

L

R

P

P

Q

Q

S

S

V

T

S

L

R

R

A

R

S

A

I

I

T

T

A

A

A

A

W

Y

R

R

W

R

A

P

E

E

T

T

D

E

A

C

V

L

P

P

M

P

L

L

L

V

E

E

Q

A

A

A

R

T

L

Q

P

S

Q

K

T

E

L

I

G

R

E

D

Q

A

A

A

H

A

K

S

L

T

A

A

Y

R

Q

K

L

L

A

I

E

E

K

A

L

L

R

R

N

G

Q

K

K

H

T

S

A

G

S

-

G

-

R

-

A

-

G

-

M

-

V

V

Q

E

S

G

L

L

L

V

Q

Q

E

E

F

Y

S

S

L

L

S

S

S

S

Q

Q

E

E

G

G

V

V

A

A

L

L

M

M

C

C

L

L

A

A

E

E

A

A

L

L

L

L

R

R

I

I

P

P

D

D

K

T

A

A

T

T

R

R

D

D

A

A

L

L

I

I

R

R

D

D

K

K

I

I

S

A

N

D

G

G

N

N

W

W

Q

K

S

S

H

H

I

L

G

S

R

R

S

S

P

-

S

-

L

L

F

F

V

V

N

N

A

A

A

A

T

T

W

W

G

G

L

L

L

V

F

V

T

T

G

G

K

K

L

L

V

T

S

S

P

T

H

V

N

N

E

D

T

R

S

S

L

L

S

A

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A

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L

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L

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M

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M

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M

M

M

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G

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K

N

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K

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L

L

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D

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K

K

G

G

F

F

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Y

Y

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D

M

M

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L

G

G

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A

A

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A

D

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Y

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M

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Y

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I

I

H

H

A

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G

K

K

A

A

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N

A

G

G

R

R

G

G

I

I

Y

Y

E

E

G

G

P

P

G

G

I

I

S

S

I

I

K
|
K

L

L

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S

A

A

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L

H

H

P

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R

R

Y

Y

S

S

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M

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K

K

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L

L

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A

A

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Q

N

Y

Y

D

D

I

I

G

G

I

L

N

N

I

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D
|
D

A
|
A

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D

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R

L

L

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G

G

W

W

N

N

G

G

I

M

G

G

F

F

V
|
V

I

V

Q

Q

A

A

Y

Y

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M

M

I

V

R
|
R

L

L

V
|
V

K
|
K

G
|
G

A
|
A

Y
|
Y

W
|
W

D

D

S

A

E

E

I

I

K

K

R

R

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M

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A

G

D

Y

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P

P

V

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x
F

T
|
T

R
|
R

K
|
K

V

I

Y

H

T
|
T

D

D

V

V

S

S

Y

Y

L

I

A

A

C

C

A

A

K

A

K

K

L

L

L

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A

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P

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N

D

L

V

I

V

Y

F

P

P

Q

Q

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F

A
|
A

T
|
T

H
|
H

N
|
N

A

A

H

Q

T

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L

L

A

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|
Q

C
|
C

L

L

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M

M

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|
Y

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V

G

G

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L

L

L

L

A

A

Y

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L

L

V

V

R

R

R

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L

L

L

L

E
|
E

N

N

G

G

A

A

N

N

T

S

S
|
S

F
|
F

V

V

N

H

R

R

I

I

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D

D

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N

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N

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L

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I

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C

C

I
|
I

S
|
S

P
|
P

W
|
W

N
|
N

F

F

P

P

L

L

A

A

I
|
I

F

F

S

T

G

G

Q

Q

I

I

A

A

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A

A

A

L

L

A

V

A

A

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G

N

N

T

P

V

V

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L

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A

K
|
K

P

P

A
|
A

E
|
E

Q

E

T

T

P

P

L

L

I

I

A

A

A

A

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E

G

G

V

V

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L

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P

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A

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Q

L

L

L

L

P

P

G

G

R

D

G
|
G

E

R

T

-

V

V

G
|
G

A
|
A

A

A

L

L

T

V

S

A

D

A

E

A

R

E

V

T

R

A

G

G

V

V

M

M

F
|
F

T
|
T

G
|
G

S
|
S

T

T

E

E

V
|
V

A

A

T

R

L

L

L
x
I

Q

Q

R

A

N

Q

I

L

A

A

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D

R

R

L

L

D

S

A

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A

G

G

R

R

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P

T

I

P

P

L

L

I

I

A

A

E
|
E

T
|
T

G

G

G

G

M

Q

N

N

A

A

M

M

I

I

V

V

D

D

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A

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L

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S

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A

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F

D

D

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S

A

A

G

G

Q

Q

R

R

C
|
C

S

S

A

A

L

L

R

R

V

V

L

L

C

C

L

L

Q

Q

D

E

D

D

I

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A

A

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D

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L

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M

M

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D

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G

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P

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K

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N

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K

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G

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K

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-

Q

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A

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E

N

Q

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I

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A

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W

T

A

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G

G

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T

F

F

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V

P

P

P

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T

L

I

I

I

E

E

L

L

D

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S

K

F

L

D

S

E

D

L

L

K

Q

K

R

E
|
E

V

V

F
|
F

G

G

P

P

V

V

L

L

H

H

V

V

V

I

R

R

Y

Y

N

R

R

R

N

D

E

D

L

L

E

D

G

R

L

L

V

V

E

D

Q

D

I

V

N

N

A

A

S

T

G

G

Y

Y

G

G

L

L

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L

F

G

G

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L

H

H

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D

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A

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N

K

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A

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G

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N

L

L

Y

Y

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I

N

N

R

R

N

N

M

I

V

I

G

G

A

A

V

V

V

V

G

G

V

V

Q

Q

P

P

F
|
F

G

G

G

G

E

R

G

G

L

L

S

S

G

G

T

T

G

G

P

P

K

K

A

A

G

G

G

G

P

P

L

L

Y

Y

L

L

Y

G

R

R

L

L

L

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S

T

S

T

R

A

P

P

Q

V

N

P

A

-

V

-

G

-

I

-

T

-

L

-

A

-

R

-

Q

-

D

-

P

-

E

-

Y

-

P

P

L

Q

D

H

A

S

Q

S

L

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K

H

T

T

L

-

L

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D

K

P

P

V

L

L

V

L

A

D

L

F

Q

A

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W

W

A

L

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D

D

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R

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P

G

E

A

L

R

Q

A

A

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L

A

C

E

Q

A

Q

A

F

R

S

N

K

A

Q

G

A

S

Q

S

A

S

-

A

-

L

G

G

T

L

Q

D

R

L

L

E

L

L

P

P

G

G

P

P

T

V

G

G

E

E

R

R

N

N

T

L

L

Y

T

T

F

L

M

H

P

A

R

R

D

G

R

R

V

I

L

L

C

L

V

V

A

P

D

A

N

T

E

E

Q

S

D

G

A

L

L

Y

T

H

Q

Q

L

L

A

A

G

A

V

A

T

L

A

A

V

T

G

G

C

N

E

S

V

V

L

A

W

I

P

D

D

A

A

A

P

S

L

G

Q

L

R

Q

E

A

L

S

A

L

K

K

K

N

L

L

P

P

R

Q

E

T

V

V

S

G

E

L

R

R

I

V

H

S

F

W

A

S

K

K

A

-

E

D

T

W

L

A

T

A

T

D

E

G

P

P

F

F

D

A

A

G

V

A

I

L

Y

V

H

E

G

G

D

D

S

A

D

E

Q

R

L

I

R

R

E

A

L

V

C

N

E

K

Q

A

V

I

A

A

A

A

R

L

D

P

G

G

A

P

I

L

V

L

S

L

V

V

Q

Q

G

A

F

A

A

S

R

S

G

G

E

E

-

I

-

A

-

R

-

N

-

P

S

D

N

A

L

Y

L

C

L

L

E

N

R

W

L

L

Y

V

I

E

E

E

R

V

S

S

L

A

S

S

V

I

N

N

T

T

A

A

A

A

A

A

G

G

G

G

N

N

A

A

S

S

L

L

M

M

T

A

I

I

G

G

binding (1-benzofuran-5-yl)methanol: K248 (= K329), D289 (= D370), Y356 (= Y437), Y456 (= Y540)
binding flavin-adenine dinucleotide: D289 (= D370), A290 (= A371), V321 (= V402), R350 (= R431), V352 (= V433), K353 (= K434), G354 (= G435), A355 (= A436), Y356 (= Y437), W357 (= W438), F375 (≠ Y456), T376 (= T457), R377 (= R458), K378 (= K459), T381 (= T462), A404 (= A485), T405 (= T486), H406 (= H487), N407 (= N488), Q430 (= Q511), C431 (= C512), E475 (= E559), S481 (= S565), F482 (= F566)
binding nicotinamide-adenine-dinucleotide: I686 (= I775), S687 (= S776), P688 (= P777), W689 (= W778), N690 (= N779), I695 (= I784), K713 (= K802), A715 (= A804), E716 (= E805), G746 (= G835), G749 (= G839), A750 (= A840), F763 (= F853), T764 (= T854), G765 (= G855), S766 (= S856), V769 (= V859), I773 (≠ L863), E793 (= E883), T794 (= T884), C827 (= C917), E923 (= E1018), F925 (= F1020), F993 (= F1088)

9dl2A Structure of proline utilization a complexed with 2,3-dihydro-1,4- benzodioxine-5-carboxylic acid (see paper)
59% identity, 94% coverage: 77:1320/1320 of query aligns to 4:1216/1216 of 9dl2A

query
sites
9dl2A

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G

G

binding 2,3-dihydro-1,4-benzodioxine-5-carboxylic acid: E657 (= E745), F691 (= F780), A694 (= A783), R826 (= R916), S828 (= S918), G985 (= G1080), A986 (= A1081), F993 (= F1088)
binding flavin-adenine dinucleotide: D289 (= D370), A290 (= A371), V321 (= V402), R350 (= R431), V352 (= V433), K353 (= K434), G354 (= G435), A355 (= A436), Y356 (= Y437), W357 (= W438), F375 (≠ Y456), T376 (= T457), R377 (= R458), K378 (= K459), T381 (= T462), A404 (= A485), T405 (= T486), H406 (= H487), N407 (= N488), Q430 (= Q511), C431 (= C512), E475 (= E559), N476 (= N560), S481 (= S565), F482 (= F566)
binding nicotinamide-adenine-dinucleotide: I686 (= I775), S687 (= S776), P688 (= P777), W689 (= W778), N690 (= N779), I695 (= I784), K713 (= K802), A715 (= A804), E716 (= E805), G746 (= G835), G749 (= G839), F763 (= F853), T764 (= T854), G765 (= G855), S766 (= S856), V769 (= V859), I773 (≠ L863), E793 (= E883), T794 (= T884), C827 (= C917), E923 (= E1018), F925 (= F1020), F993 (= F1088)

7mycA Structure of proline utilization a with the fad covalently modified by tetrahydrothiophene (see paper)
59% identity, 94% coverage: 77:1319/1320 of query aligns to 4:1216/1216 of 7mycA

query
sites
7mycA

P

P

F

F

L

A

D

D

F

F

A

A

E

P

Q

P

I

V

L

R

P

P

Q

Q

S

S

V

T

S

L

R

R

A

R

S

A

I

I

T

T

A

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W

Y

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W

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E

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T

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D

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A

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A

A

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K

A

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L

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N

G

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K

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A

G

S

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G

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-

A

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M

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V

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L

L

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W

G

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|
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I

I

binding 1,4-dihydronicotinamide adenine dinucleotide: I687 (= I775), S688 (= S776), P689 (= P777), W690 (= W778), N691 (= N779), K714 (= K802), E717 (= E805), G747 (= G835), G750 (= G839), A751 (= A840), F764 (= F853), G766 (= G855), S767 (= S856), V770 (= V859), T795 (= T884), G796 (= G885), C828 (= C917), E924 (= E1018), F926 (= F1020)
binding [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-{7,8-dimethyl-2,4-dioxo-5-[(2R)-tetrahydrothiophen-2-yl]-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl}-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name): K249 (= K329), D290 (= D370), A291 (= A371), V322 (= V402), Q324 (= Q404), R351 (= R431), V353 (= V433), K354 (= K434), G355 (= G435), A356 (= A436), Y357 (= Y437), W358 (= W438), F376 (≠ Y456), T377 (= T457), R378 (= R458), K379 (= K459), T382 (= T462), A405 (= A485), T406 (= T486), H407 (= H487), N408 (= N488), Q431 (= Q511), C432 (= C512), L433 (= L513), Y457 (= Y540), S482 (= S565), F483 (= F566)

6x9aA Structure of proline utilization a with trans-4-hydroxy-d-proline bound in the l-glutamate-gamma-semialdehyde dehydrogenase active site (see paper)
59% identity, 94% coverage: 77:1320/1320 of query aligns to 4:1214/1214 of 6x9aA

query
sites
6x9aA

P

P

F

F

L

A

D

D

F

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A

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Q

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G

G

active site: N688 (= N779), K711 (= K802), E791 (= E883), C825 (= C917), E921 (= E1018), A1003 (= A1100)
binding flavin-adenine dinucleotide: D287 (= D370), A288 (= A371), V319 (= V402), R348 (= R431), V350 (= V433), K351 (= K434), G352 (= G435), A353 (= A436), Y354 (= Y437), W355 (= W438), F373 (≠ Y456), T374 (= T457), R375 (= R458), K376 (= K459), T379 (= T462), A402 (= A485), T403 (= T486), H404 (= H487), N405 (= N488), C429 (= C512), E473 (= E559), S479 (= S565), F480 (= F566)
binding (4S)-4-hydroxy-D-proline: W555 (= W645), T556 (≠ Q646), E655 (= E745), F689 (= F780), R725 (≠ A816), S826 (= S918), G983 (= G1080), A984 (= A1081), F991 (= F1088)

6x9bA Structure of proline utilization a with cis-4-hydroxy-d-proline bound in the l-glutamate-gamma-semialdehyde dehydrogenase active site (see paper)
59% identity, 94% coverage: 77:1320/1320 of query aligns to 4:1214/1214 of 6x9bA

query
sites
6x9bA

P

P

F

F

L

A

D

D

F

F

A

A

E

P

Q

P

I

V

L

R

P

P

Q

Q

S

S

V

T

S

L

R

R

A

R

S

A

I

I

T

T

A

A

A

A

W

Y

R

R

W

R

A

P

E

E

T

T

D

E

A

C

V

L

P

P

M

P

L

L

L

V

E

E

Q

A

A

A

R

T

L

Q

P

S

Q

K

T

E

L

I

G

R

E

D

Q

A

A

A

H

A

K

S

L

T

A

A

Y

R

Q

K

L

L

A

I

E

E

K

A

L

L

R

R

N

-

Q

-

K

-

T

-

A

-

S

-

G

G

R

K

A

S

G

G

M

-

V

V

Q

E

S

G

L

L

L

V

Q

Q

E

E

F

Y

S

S

L

L

S

S

S

S

Q

Q

E

E

G

G

V

V

A

A

L

L

M

M

C

C

L

L

A

A

E

E

A

A

L

L

L

L

R

R

I

I

P

P

D

D

K

T

A

A

T

T

R

R

D

D

A

A

L

L

I

I

R

R

D

D

K

K

I

I

S

A

N

D

G

G

N

N

W

W

Q

K

S

S

H

H

I

L

G

-

R

-

S

-

P

R

S

S

L

L

F

F

V

V

N

N

A

A

A

A

T

T

W

W

G

G

L

L

L

V

F

V

T

T

G

G

K

K

L

L

V

T

S

S

P

T

H

V

N

N

E

D

T

R

S

S

L

L

S

A

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A

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L

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L

I

I

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K

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V

D

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M

M

A

A

M

M

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R

L

M

M

M

G

G

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E

Q

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F

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T

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I

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L

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N

R

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K

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L

L

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E

K

K

G

G

F

F

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Y

Y

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Y

Y

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D

M

M

L

L

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G

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A

A

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T

T

A

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D

A

D

D

A

A

Q

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A

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Y

Y

M

Y

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R

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D

Y

Y

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A

A

I

I

H

H

A

A

I

I

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G

K

K

A

A

S

S

N

A

G

G

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I

Y

Y

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M

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K

K

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A

L

L

L

L

A

A

R

K

Q

N

Y

Y

D

D

I

I

G

G

I

L

N

N

I

I

D
|
D

A
|
A

E

E

E

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A

A

D

D

R

R

L

L

E

E

I

L

S

S

L

L

D

D

L

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L

L

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K

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L

C

C

F

L

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G

E

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L

L

A

S

G

G

W

W

N

N

G

G

I

M

G

G

F

F

V
|
V

I

V

Q

Q

A

A

Y

Y

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K

K

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C

C

P

P

F

F

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Y

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I

I

D

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L

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A

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R

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S

S

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G

R

R

R

R

L

I

M

M

I

V

R
|
R

L

L

V
|
V

K
|
K

G
|
G

A
|
A

Y
|
Y

W
|
W

D

D

S

A

E

E

I

I

K

K

R

R

A

A

Q

Q

M

L

D

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G

G

L

L

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A

G

D

Y

F

P

P

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V

Y
x
F

T
|
T

R
|
R

K
|
K

V

I

Y

H

T
|
T

D

D

V

V

S

S

Y

Y

L

I

A

A

C

C

A

A

K

A

K

K

L

L

L

L

A

A

V

A

P

T

N

D

L

V

I

V

Y

F

P

P

Q

Q

F

F

A
|
A

T
|
T

H
|
H

N
|
N

A

A

H

Q

T

T

L

L

A

A

A

A

I

I

Y

Y

Q

H

L

M

A

A

G

G

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D

Y

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Y

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G

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Y

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F

Q
|
Q

C
|
C

L

L

H

H

G

G

M

M

G

G

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E

P

P

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L

Y

Y

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V

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A

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G

G

K

K

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L

N

D

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R

P

P

C

C

R

R

I

I

Y
|
Y

A

A

P

P

V

V

G

G

T

T

H

H

E

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T

L

L

L

L

A

A

Y

Y

L

L

V

V

R

R

R

R

L

L

L

L

E
|
E

N

N

G

G

A

A

N

N

T

S

S
|
S

F
|
F

V

V

N

H

R

R

I

I

A

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D

D

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N

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G

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L

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D

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N

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L

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N

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M

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M

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G

I

L

L

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I

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A

A

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K

K

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A

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N

N

A

A

I

I

A

A

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V

V

R

R

E
|
E

A

A

V

I

D

D

F

F

L

L

H

R

Y

Y

Y

Y

A

A

G

E

Q

Q

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R

N

R

D

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F

L

D

-

N

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L

L

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G

P

P

V

I

V

V

C

C

I
|
I

S
|
S

P
|
P

W
|
W

N
|
N

F
|
F

P

P

L

L

A

A

I
|
I

F

F

S

T

G

G

Q

Q

I

I

A

A

A

A

A

A

L

L

A

V

A

A

G

G

N

N

T

P

V

V

L

L

A

A

K
|
K

P

P

A
|
A

E
|
E

Q

E

T

T

P

P

L

L

I

I

A

A

A

A

Q

E

G

G

V

V

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I

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L

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Q

L

L

L

L

P

P

G

G

R

D

G
|
G

E

R

T

-

V

V

G
|
G

A
|
A

A

A

L

L

T

V

S

A

D

A

E

A

R

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T

R

A

G

G

V

V

M

M

F

F

T
|
T

G
|
G

S
|
S

T

T

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E

V
|
V

A

A

T

R

L

L

L
x
I

Q

Q

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A

N

Q

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A

A

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R

L

L

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G

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R

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P

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P

P

L

L

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I

A

A

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|
E

T
|
T

G

G

G

G

M

Q

N

N

A

A

M

M

I

I

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D

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F

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D

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S

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A

G

G

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Q

R

R

C
|
C

S
|
S

A

A

L

L

R

R

V

V

L

L

C

C

L

L

Q

Q

D

E

D

D

I

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A

D

D

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L

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M

M

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N

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M

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K

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-

Q

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A

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E

L

L

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K

F

L

D

S

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D

L

L

K

Q

K

R

E
|
E

V

V

F
|
F

G

G

P

P

V

V

L

L

H

H

V

V

V

I

R

R

Y

Y

N

R

R

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N

D

E

D

L

L

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D

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R

L

L

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V

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Q

D

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N

N

A

A

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T

G

G

Y

Y

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G

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L

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G

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N

L

L

Y

Y

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I

N

N

R

R

N

N

M

I

V

I

G
|
G

A
|
A

V

V

V

V

G

G

V

V

Q

Q

P

P

F
|
F

G

G

G

G

E

R

G

G

L

L

S

S

G

G

T

T

G

G

P

P

K

K

A
|
A

G

G

G

G

P

P

L

L

Y

Y

L

L

Y

G

R

R

L

L

L

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S

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A

P

P

Q

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N

P

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-

V

-

G

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I

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L

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A

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Y

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L

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A

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L

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L

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L

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N

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A

L

L

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A

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C

N

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V

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I

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D

D

A

A

A

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L

G

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L

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A

L

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A

L

K

K

K

N

L

L

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P

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V

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L

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R

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F

W

A

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K

K

A

-

E

D

T

W

L

A

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A

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D

E

G

P

P

F

F

D

A

A

G

V

A

I

L

Y

V

H

E

G

G

D

D

S

A

D

E

Q

R

L

I

R

R

E

A

L

V

C

N

E

K

Q

A

V

I

A

A

A

A

R

L

D

P

G

G

A

P

I

L

V

L

S

L

V

V

Q

Q

G

A

F

A

A

S

R

S

G

G

E

E

-

I

-

A

-

R

-

N

-

P

S

D

N

A

L

Y

L

C

L

L

E

N

R

W

L

L

Y

V

I

E

E

E

R

V

S

S

L

A

S

S

V

I

N

N

T

T

A

A

A

A

A

A

G

G

G

G

N

N

A

A

S

S

L

L

M

M

T

A

I

I

G

G

active site: N688 (= N779), K711 (= K802), E791 (= E883), C825 (= C917), E921 (= E1018), A1003 (= A1100)
binding flavin-adenine dinucleotide: D287 (= D370), A288 (= A371), V319 (= V402), R348 (= R431), V350 (= V433), K351 (= K434), G352 (= G435), A353 (= A436), Y354 (= Y437), W355 (= W438), F373 (≠ Y456), T374 (= T457), R375 (= R458), K376 (= K459), T379 (= T462), A402 (= A485), T403 (= T486), H404 (= H487), N405 (= N488), Q428 (= Q511), C429 (= C512), Y454 (= Y540), E473 (= E559), S479 (= S565), F480 (= F566)
binding nicotinamide-adenine-dinucleotide: I684 (= I775), S685 (= S776), P686 (= P777), W687 (= W778), N688 (= N779), I693 (= I784), K711 (= K802), A713 (= A804), E714 (= E805), G744 (= G835), G747 (= G839), A748 (= A840), T762 (= T854), G763 (= G855), S764 (= S856), V767 (= V859), I771 (≠ L863), E791 (= E883), T792 (= T884), C825 (= C917), E921 (= E1018), F923 (= F1020)
binding (4R)-4-hydroxy-D-proline: E655 (= E745), F689 (= F780), S826 (= S918), G983 (= G1080), A984 (= A1081), F991 (= F1088)

9e5wA Proline utilization a (puta) from sinorhizobium meliloti inactivated by n-propargylglycine (see paper)
59% identity, 94% coverage: 77:1317/1320 of query aligns to 4:1211/1212 of 9e5wA

query
sites
9e5wA

P

P

F

F

L

A

D

D

F

F

A

A

E

P

Q

P

I

V

L

R

P

P

Q

Q

S

S

V

T

S

L

R

R

A

R

S

A

I

I

T

T

A

A

A

A

W

Y

R

R

W

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A

P

E

E

T

T

D

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A

C

V

L

P

P

M

P

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L

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Q

A

A

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L

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L

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D

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A

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A

H

A

K

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L

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A

A

Y

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K

L

L

A

I

E

E

K

A

L

L

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N

G

Q

K

K

G

T

-

A

-

S

-

G

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R

-

A

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G

-

M

-

V

V

Q

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S

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L

L

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Y

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M

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W

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|
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|
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|
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M

M

binding nicotinamide-adenine-dinucleotide: I684 (= I775), S685 (= S776), P686 (= P777), W687 (= W778), N688 (= N779), I693 (= I784), K711 (= K802), A713 (= A804), E714 (= E805), G744 (= G835), G747 (= G839), A748 (= A840), T762 (= T854), G763 (= G855), S764 (= S856), V767 (= V859), I771 (≠ L863), E791 (= E883), T792 (= T884), C825 (= C917), E921 (= E1018), F923 (= F1020), F991 (= F1088)
binding N-propargylglycine-modified flavin adenine dinucleotide: K246 (= K329), D287 (= D370), A288 (= A371), V319 (= V402), Q321 (= Q404), R348 (= R431), V350 (= V433), K351 (= K434), G352 (= G435), A353 (= A436), W355 (= W438), F373 (≠ Y456), T374 (= T457), R375 (= R458), K376 (= K459), T379 (= T462), A402 (= A485), T403 (= T486), H404 (= H487), N405 (= N488), Q428 (= Q511), C429 (= C512), L430 (= L513), Y454 (= Y540), S479 (= S565)

9e0eA Bifunctional protein PutA (see paper)
59% identity, 94% coverage: 77:1320/1320 of query aligns to 4:1214/1214 of 9e0eA

query
sites
9e0eA

P

P

F

F

L

A

D

D

F

F

A

A

E

P

Q

P

I

V

L

R

P

P

Q

Q

S

S

V

T

S

L

R

R

A

R

S

A

I

I

T

T

A

A

A

A

W

Y

R

R

W

R

A

P

E

E

T

T

D

E

A

C

V

L

P

P

M

P

L

L

L

V

E

E

Q

A

A

A

R

T

L

Q

P

S

Q

K

T

E

L

I

G

R

E

D

Q

A

A

A

H

A

K

S

L

T

A

A

Y

R

Q

K

L

L

A

I

E

E

K

A

L

L

R

R

N

-

Q

-

K

-

T

-

A

-

S

-

G

G

R

K

A

S

G

G

M

-

V

V

Q

E

S

G

L

L

L

V

Q

Q

E

E

F

Y

S

S

L

L

S

S

S

S

Q

Q

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E

G

G

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V

A

A

L

L

M

M

C

C

L

L

A

A

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A

A

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L

L

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I

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K

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D

D

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L

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I

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D

K

K

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I

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N

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G

G

N

N

W

W

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H

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-

S

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L

L

F

F

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V

N

N

A

A

A

A

T

T

W

W

G

G

L

L

L

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F

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G

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K

K

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N

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K
|
K

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|
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|
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|
V

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|
R

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|
V

K
|
K

G
|
G

A
|
A

Y
|
Y

W
|
W

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|
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|
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|
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|
T

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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
W

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|
N

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I
|
I

F

F

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G

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|
K

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|
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|
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|
G

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-

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|
G

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|
A

A

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L

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|
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|
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|
G

S
|
S

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|
V

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L

L

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I

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|
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|
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C
|
C

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L

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Q

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|
E

V

V

F
|
F

G

G

P

P

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L

L

H

H

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V

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Y

Y

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L

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N

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G

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A

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Q

P

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F
|
F

G

G

G

G

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R

G

G

L

L

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S

G

G

T

T

G

G

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P

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K

A

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L

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K

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A

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L

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L

L

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L

L

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N

N

T

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L

Y

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A

L

L

Y

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H

Q

Q

L

L

A

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G

A

V

A

T

L

A

A

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T

G

G

C

N

E

S

V

V

L

A

W

I

P

D

D

A

A

A

P

S

L

G

Q

L

R

Q

E

A

L

S

A

L

K

K

K

N

L

L

P

P

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V

S

G

E

L

R

R

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V

H

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F

W

A

S

K

K

A

-

E

D

T

W

L

A

T

A

T

D

E

G

P

P

F

F

D

A

A

G

V

A

I

L

Y

V

H

E

G

G

D

D

S

A

D

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Q

R

L

I

R

R

E

A

L

V

C

N

E

K

Q

A

V

I

A

A

A

A

R

L

D

P

G

G

A

P

I

L

V

L

S

L

V

V

Q

Q

G

A

F

A

A

S

R

S

G

G

E

E

-

I

-

A

-

R

-

N

-

P

S

D

N

A

L

Y

L

C

L

L

E

N

R

W

L

L

Y

V

I

E

E

E

R

V

S

S

L

A

S

S

V

I

N

N

T

T

A

A

A

A

A

A

G

G

G

G

N

N

A

A

S

S

L

L

M

M

T

A

I

I

G

G

binding (1H-indol-5-yl)methanol: K247 (= K329), D288 (= D370), A354 (= A436), Y355 (= Y437), Y455 (= Y540)
binding flavin-adenine dinucleotide: D288 (= D370), A289 (= A371), V320 (= V402), R349 (= R431), V351 (= V433), K352 (= K434), G353 (= G435), A354 (= A436), Y355 (= Y437), W356 (= W438), F374 (≠ Y456), T375 (= T457), R376 (= R458), K377 (= K459), T380 (= T462), A403 (= A485), T404 (= T486), H405 (= H487), N406 (= N488), Q429 (= Q511), C430 (= C512), S479 (= S565), F480 (= F566)
binding nicotinamide-adenine-dinucleotide: I684 (= I775), S685 (= S776), P686 (= P777), W687 (= W778), N688 (= N779), I693 (= I784), K711 (= K802), A713 (= A804), E714 (= E805), G744 (= G835), G747 (= G839), A748 (= A840), F761 (= F853), T762 (= T854), G763 (= G855), S764 (= S856), V767 (= V859), I771 (≠ L863), E791 (= E883), T792 (= T884), C825 (= C917), E921 (= E1018), F923 (= F1020), F991 (= F1088)

9e0dA Bifunctional protein PutA (see paper)
59% identity, 94% coverage: 77:1320/1320 of query aligns to 4:1214/1214 of 9e0dA

query
sites
9e0dA

P

P

F

F

L

A

D

D

F

F

A

A

E

P

Q

P

I

V

L

R

P

P

Q

Q

S

S

V

T

S

L

R

R

A

R

S

A

I

I

T

T

A

A

A

A

W

Y

R

R

W

R

A

P

E

E

T

T

D

E

A

C

V

L

P

P

M

P

L

L

L

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E

E

Q

A

A

A

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T

L

Q

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Q

K

T

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L

I

G

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D

Q

A

A

A

H

A

K

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L

T

A

A

Y

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K

L

L

A

I

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A

L

L

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G

Q

K

K

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G

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A

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M

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V

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L

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|
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|
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A

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G

E

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-

I

-

A

-

R

-

N

-

P

S

D

N

A

L

Y

L

C

L

L

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N

R

W

L

L

Y

V

I

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E

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S

S

L

A

S

S

V

I

N

N

T

T

A

A

A

A

A

A

G

G

G

G

N

N

A

A

S

S

L

L

M

M

T

A

I

I

G

G

binding (2H-1,3-benzodioxol-5-yl)methanol: K248 (= K329), D289 (= D370), Y356 (= Y437), Y456 (= Y540)
binding flavin-adenine dinucleotide: D289 (= D370), A290 (= A371), V321 (= V402), Q323 (= Q404), R350 (= R431), V352 (= V433), K353 (= K434), G354 (= G435), A355 (= A436), Y356 (= Y437), W357 (= W438), F375 (≠ Y456), T376 (= T457), R377 (= R458), K378 (= K459), T381 (= T462), A404 (= A485), T405 (= T486), H406 (= H487), N407 (= N488), C431 (= C512), S479 (= S565), F480 (= F566)
binding nicotinamide-adenine-dinucleotide: I684 (= I775), S685 (= S776), P686 (= P777), W687 (= W778), N688 (= N779), I693 (= I784), K711 (= K802), A713 (= A804), E714 (= E805), G744 (= G835), G747 (= G839), A748 (= A840), F761 (= F853), T762 (= T854), G763 (= G855), S764 (= S856), V767 (= V859), I771 (≠ L863), E791 (= E883), T792 (= T884), C825 (= C917), E921 (= E1018), F923 (= F1020), F991 (= F1088)

6x9cA Structure of proline utilization a with l-proline bound in the l- glutamate-gamma-semialdehyde dehydrogenase active site (see paper)
59% identity, 94% coverage: 77:1316/1320 of query aligns to 3:1209/1209 of 6x9cA

query
sites
6x9cA

P

P

F

F

L

A

D

D

F

F

A

A

E

P

Q

P

I

V

L

R

P

P

Q

Q

S

S

V

T

S

L

R

R

A

R

S

A

I

I

T

T

A

A

A

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Y

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W

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Y

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A

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G

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I

-

A

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N

-

P

S

D

N

A

L

Y

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C

L

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W

L

L

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I

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S

S

L

A

S

S

V

I

N

N

T

T

A

A

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A

A

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G

G

G

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N

N

A

A

S

S

L

L

active site: N687 (= N779), K710 (= K802), E790 (= E883), C824 (= C917), E920 (= E1018), A1002 (= A1100)
binding dihydroflavine-adenine dinucleotide: D286 (= D370), A287 (= A371), V318 (= V402), Q320 (= Q404), R347 (= R431), V349 (= V433), K350 (= K434), G351 (= G435), A352 (= A436), Y353 (= Y437), W354 (= W438), F372 (≠ Y456), T373 (= T457), R374 (= R458), K375 (= K459), T378 (= T462), A401 (= A485), T402 (= T486), H403 (= H487), N404 (= N488), Q427 (= Q511), C428 (= C512), E472 (= E559), S478 (= S565), F479 (= F566)
binding 1,4-dihydronicotinamide adenine dinucleotide: I683 (= I775), S684 (= S776), P685 (= P777), W686 (= W778), N687 (= N779), K710 (= K802), E713 (= E805), G743 (= G835), G746 (= G839), A747 (= A840), F760 (= F853), G762 (= G855), S763 (= S856), V766 (= V859), E920 (= E1018), F922 (= F1020)
binding proline: R823 (= R916), C824 (= C917), S825 (= S918), G982 (= G1080), A983 (= A1081), F990 (= F1088)

9e0bA Bifunctional protein PutA (see paper)
59% identity, 94% coverage: 77:1320/1320 of query aligns to 4:1213/1213 of 9e0bA

query
sites
9e0bA

P

P

F

F

L

A

D

D

F

F

A

A

E

P

Q

P

I

V

L

R

P

P

Q

Q

S

S

V

T

S

L

R

R

A

R

S

A

I

I

T

T

A

A

A

A

W

Y

R

R

W

R

A

P

E

E

T

T

D

E

A

C

V

L

P

P

M

P

L

L

L

V

E

E

Q

A

A

A

R

T

L

Q

P

S

Q

K

T

E

L

I

G

R

E

D

Q

A

A

A

H

A

K

S

L

T

A

A

Y

R

Q

K

L

L

A

I

E

E

K

A

L

L

R

R

N

G

Q

K

K

H

T

S

A

G

S

-

G

-

R

-

A

-

G

-

M

-

V

V

Q

E

S

G

L

L

L

V

Q

Q

E

E

F

Y

S

S

L

L

S

S

S

S

Q

Q

E

E

G

G

V

V

A

A

L

L

M

M

C

C

L

L

A

A

E

E

A

A

L

L

L

L

R

R

I

I

P

P

D

D

K

T

A

A

T

T

R

R

D

D

A

A

L

L

I

I

R

R

D

D

K

K

I

I

S

A

N

D

G

G

N

N

W

W

Q

K

S

S

H

H

I

-

G

-

R

-

S

S

P

R

S

S

L

L

F

F

V

V

N

N

A

A

A

A

T

T

W

W

G

G

L

L

L

V

F

V

T

T

G

G

K

K

L

L

V

T

S

S

P

T

H

V

N

N

E

D

T

R

S

S

L

L

S

A

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A

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A

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N

T

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L

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G

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K

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G

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N

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K

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G

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Y

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K

K

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A

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G

G

I

I

Y

Y

E

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G

G

P

P

G

G

I

I

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S

I

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K
|
K

L

L

S

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A

A

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L

H

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Y

Y

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K

K

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A

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Q

N

Y

Y

D

D

I

I

G

G

I

L

N

N

I

I

D
|
D

A
|
A

E

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D

D

R

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L

L

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C

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L

A

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G

G

W

W

N

N

G

G

I

M

G

G

F

F

V
|
V

I

V

Q
|
Q

A

A

Y

Y

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K

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R

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M

M

I

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R
|
R

L

L

V
|
V

K
|
K

G
|
G

A
|
A

Y
|
Y

W
|
W

D

D

S

A

E

E

I

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K

K

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D

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A

G

D

Y

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P

P

V

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Y
x
F

T
|
T

R
|
R

K
|
K

V

I

Y

H

T
|
T

D

D

V

V

S

S

Y

Y

L

I

A

A

C

C

A

A

K

A

K

K

L

L

L

L

A

A

V

A

P

T

N

D

L

V

I

V

Y

F

P

P

Q

Q

F

F

A
|
A

T
|
T

H
|
H

N
|
N

A

A

H

Q

T

T

L

L

A

A

A

A

I

I

Y

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Y

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C
|
C

L

L

H

H

G

G

M

M

G

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P

P

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L

Y

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-

A

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G

G

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K

L

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C

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|
Y

A

A

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P

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G

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T

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L

L

L

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A

Y

Y

L

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R

R

R

L

L

L

L

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-

N

-

G

G

A

A

N

N

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S

S
|
S

F
|
F

V

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N

H

R

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I

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D

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C

C

I
|
I

S
|
S

P
|
P

W
|
W

N
|
N

F

F

P

P

L

L

A

A

I
|
I

F

F

S

T

G

G

Q

Q

I

I

A

A

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A

L

L

A

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A

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G

N

N

T

P

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L

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K
|
K

P

P

A
|
A

E
|
E

Q

E

T

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P

P

L

L

I

I

A

A

A

A

Q

E

G

G

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A

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Q

L

L

L

L

P

P

G

G

R

D

G
|
G

E

R

T

-

V

V

G
|
G

A
|
A

A

A

L

L

T

V

S

A

D

A

E

A

R

E

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T

R

A

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G

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V

M

M

F
|
F

T
|
T

G
|
G

S
|
S

T

T

E

E

V
|
V

A

A

T

R

L

L

L
x
I

Q

Q

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A

N

Q

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L

A

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D

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L

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G

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L

L

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|
E

T
|
T

G

G

G

G

M

Q

N

N

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M

I

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D

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G

Q

Q

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R

C
|
C

S

S

A

A

L

L

R

R

V

V

L

L

C

C

L

L

Q

Q

D

E

D

D

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K

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N

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M

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A

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K

K

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-

Q

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A

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V

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E

N

Q

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I

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S

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W

T

A

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G

G

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F

F

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P

P

P

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T

T

L

I

I

I

E

E

L

L

D

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S

K

F

L

D

S

E

D

L

L

K

Q

K

R

E
|
E

V

V

F
|
F

G

G

P

P

V

V

L

L

H

H

V

V

V

I

R

R

Y

Y

N

R

R

R

N

D

E

D

L

L

E

D

G

R

L

L

V

V

E

D

Q

D

I

V

N

N

A

A

S

T

G

G

Y

Y

G

G

L

L

T

T

L

F

G

G

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L

H

H

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L

D

D

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T

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I

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R

A

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N

K

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A

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G

N

N

L

L

Y

Y

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I

N

N

R

R

N

N

M

I

V

I

G

G

A

A

V

V

V

V

G

G

V

V

Q

Q

P

P

F
|
F

G

G

G

G

E

R

G

G

L

L

S

S

G

G

T

T

G

G

P

P

K

K

A

A

G

G

G

G

P

P

L

L

Y

Y

L

L

Y

G

R

R

L

L

L

V

S

T

S

T

R

A

P

P

Q

V

N

P

A

-

V

-

G

-

I

-

T

-

L

-

A

-

R

-

Q

-

D

-

P

-

E

-

Y

-

P

P

L

Q

D

H

A

S

Q

S

L

V

K

H

T

T

L

-

L

-

E

D

K

P

P

V

L

L

V

L

A

D

L

F

Q

A

Q

K

W

W

A

L

A

D

D

G

R

K

P

G

E

A

L

R

Q

A

A

E

L

A

C

E

Q

A

Q

A

F

R

S

N

K

A

Q

G

A

S

Q

S

A

S

-

A

-

L

G

G

T

L

Q

D

R

L

L

E

L

L

P

P

G

G

P

P

T

V

G

G

E

E

R

R

N

N

T

L

L

Y

T

T

F

L

M

H

P

A

R

R

D

G

R

R

V

I

L

L

C

L

V

V

A

P

D

A

N

T

E

E

Q

S

D

G

A

L

L

Y

T

H

Q

Q

L

L

A

A

G

A

V

A

T

L

A

A

V

T

G

G

C

N

E

S

V

V

L

A

W

I

P

D

D

A

A

A

P

S

L

G

Q

L

R

Q

E

A

L

S

A

L

K

K

K

N

L

L

P

P

R

Q

E

T

V

V

S

G

E

L

R

R

I

V

H

S

F

W

A

S

K

K

A

-

E

D

T

W

L

A

T

A

T

D

E

G

P

P

F

F

D

A

A

G

V

A

I

L

Y

V

H

E

G

G

D

D

S

A

D

E

Q

R

L

I

R

R

E

A

L

V

C

N

E

K

Q

A

V

I

A

A

A

A

R

L

D

P

G

G

A

P

I

L

V

L

S

L

V

V

Q

Q

G

A

F

A

A

S

R

S

G

G

E

E

-

I

-

A

-

R

-

N

-

P

S

D

N

A

L

Y

L

C

L

L

E

N

R

W

L

L

Y

V

I

E

E

E

R

V

S

S

L

A

S

S

V

I

N

N

T

T

A

A

A

A

A

A

G

G

G

G

N

N

A

A

S

S

L

L

M

M

T

A

I

I

G

G

binding (2,3-dihydro-1-benzofuran-5-yl)methanol: K247 (= K329), D288 (= D370), Y355 (= Y437), Y455 (= Y540)
binding flavin-adenine dinucleotide: D288 (= D370), A289 (= A371), V320 (= V402), Q322 (= Q404), R349 (= R431), V351 (= V433), K352 (= K434), G353 (= G435), A354 (= A436), Y355 (= Y437), W356 (= W438), F374 (≠ Y456), T375 (= T457), R376 (= R458), K377 (= K459), T380 (= T462), A403 (= A485), T404 (= T486), H405 (= H487), N406 (= N488), C430 (= C512), S478 (= S565), F479 (= F566)
binding nicotinamide-adenine-dinucleotide: I683 (= I775), S684 (= S776), P685 (= P777), W686 (= W778), N687 (= N779), I692 (= I784), K710 (= K802), A712 (= A804), E713 (= E805), G743 (= G835), G746 (= G839), A747 (= A840), F760 (= F853), T761 (= T854), G762 (= G855), S763 (= S856), V766 (= V859), I770 (≠ L863), E790 (= E883), T791 (= T884), C824 (= C917), E920 (= E1018), F922 (= F1020), F990 (= F1088)

9e0aB Bifunctional protein PutA (see paper)
59% identity, 94% coverage: 77:1320/1320 of query aligns to 4:1212/1212 of 9e0aB

query
sites
9e0aB

P

P

F

F

L

A

D

D

F

F

A

A

E

P

Q

P

I

V

L

R

P

P

Q

Q

S

S

V

T

S

L

R

R

A

R

S

A

I

I

T

T

A

A

A

A

W

Y

R

R

W

R

A

P

E

E

T

T

D

E

A

C

V

L

P

P

M

P

L

L

L

V

E

E

Q

A

A

A

R

T

L

Q

P

S

Q

K

T

E

L

I

G

R

E

D

Q

A

A

A

H

A

K

S

L

T

A

A

Y

R

Q

K

L

L

A

I

E

E

K

A

L

L

R

R

N

G

Q

K

K

G

T

-

A

-

S

-

G

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R

-

A

-

G

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M

-

V

V

Q

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L

L

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W

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|
K

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|
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|
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|
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|
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|
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|
I

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|
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|
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|
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|
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|
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|
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|
F

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A

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A

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I

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L

S

L

V

V

Q

Q

G

A

F

A

A

S

R

S

G

G

E

E

-

I

-

A

-

R

-

N

-

P

S

D

N

A

L

Y

L

C

L

L

E

N

R

W

L

L

Y

V

I

E

E

E

R

V

S

S

L

A

S

S

V

I

N

N

T

T

A

A

A

A

A

A

G

G

G

G

N

N

A

A

S

S

L

L

M

M

T

A

I

I

G

G

binding (1,4-phenylene)dimethanol: K245 (= K329), D286 (= D370), A287 (= A371), Y353 (= Y437), Y453 (= Y540)
binding flavin-adenine dinucleotide: D286 (= D370), A287 (= A371), V318 (= V402), Q320 (= Q404), R347 (= R431), V349 (= V433), K350 (= K434), G351 (= G435), A352 (= A436), Y353 (= Y437), W354 (= W438), F372 (≠ Y456), T373 (= T457), R374 (= R458), K375 (= K459), T378 (= T462), A401 (= A485), T402 (= T486), H403 (= H487), N404 (= N488), C428 (= C512), E472 (= E559), S477 (= S565), F478 (= F566)
binding nicotinamide-adenine-dinucleotide: I682 (= I775), S683 (= S776), P684 (= P777), W685 (= W778), N686 (= N779), I691 (= I784), K709 (= K802), A711 (= A804), E712 (= E805), G742 (= G835), G745 (= G839), A746 (= A840), F759 (= F853), T760 (= T854), G761 (= G855), S762 (= S856), V765 (= V859), I769 (≠ L863), E789 (= E883), T790 (= T884), C823 (= C917), E919 (= E1018), F921 (= F1020), F989 (= F1088)

5kf6A Structure of proline utilization a from sinorhizobium meliloti complexed with l-tetrahydrofuroic acid and NAD+ in space group p21 (see paper)
58% identity, 94% coverage: 77:1317/1320 of query aligns to 4:1206/1207 of 5kf6A

query
sites
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