SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_019614488.1 NCBI__GCF_000381745.1:WP_019614488.1 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)

3iahA Crystal structure of short chain dehydrogenase (ycik) from salmonella enterica subsp. Enterica serovar typhimurium str. Lt2 in complex with NADP and acetate.
50% identity, 100% coverage: 2:245/245 of query aligns to 1:244/253 of 3iahA

query
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3iahA

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active site: S152 (= S153), Y165 (= Y166), K169 (= K170)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G19 (= G20), S21 (≠ G22), I24 (= I25), R44 (≠ K45), K48 (= K49), D70 (= D71), L71 (= L72), N99 (= N100), G101 (= G102), T150 (= T151), Y165 (= Y166), K169 (= K170), P195 (= P196), G196 (= G197), G197 (≠ A198), T198 (= T199), T200 (= T201), M202 (= M203), R203 (= R204)

3f1kA Crystal structure of ycik from e. Coli, an oxidoreductase, complexed with NADP+ at 2.6a resolution
49% identity, 100% coverage: 2:245/245 of query aligns to 1:243/252 of 3f1kA

query
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3f1kA

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active site: S152 (= S153), Y165 (= Y166), K169 (= K170)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G19 (= G20), D22 (≠ A23), G23 (= G24), I24 (= I25), R44 (≠ K45), D70 (= D71), L71 (= L72), N99 (= N100), G101 (= G102), T150 (= T151), Y165 (= Y166), K169 (= K170), P194 (= P196), G195 (= G197), G196 (≠ A198), T197 (= T199), T199 (= T201), M201 (= M203), R202 (= R204)

3e9qB Crystal structure of the short chain dehydrogenase from shigella flexneri
49% identity, 100% coverage: 2:245/245 of query aligns to 7:249/256 of 3e9qB

query
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3e9qB

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active site: S158 (= S153), Y171 (= Y166), K175 (= K170)
binding zinc ion: M36 (≠ L31), E65 (≠ V60)

3gz4A Crystal structure of putative short chain dehydrogenase from escherichia coli cft073 complexed with NADPH
49% identity, 98% coverage: 5:245/245 of query aligns to 1:240/242 of 3gz4A

query
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3gz4A

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active site: S149 (= S153), Y162 (= Y166), K166 (= K170)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G16 (= G20), S18 (≠ G22), G20 (= G24), I21 (= I25), R41 (≠ K45), K45 (= K49), L66 (= L70), D67 (= D71), L68 (= L72), N96 (= N100), G98 (= G102), T147 (= T151), Y162 (= Y166), K166 (= K170), G192 (= G197), G193 (≠ A198), T194 (= T199), T196 (= T201), M198 (= M203), R199 (= R204)

3toxA Crystal structure of a short chain dehydrogenase in complex with NAD(p) from sinorhizobium meliloti 1021
33% identity, 93% coverage: 11:239/245 of query aligns to 3:241/254 of 3toxA

query
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3toxA

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N

A

F

S

A

A

N

Y

L

P

P

A

G

-

A

-

P

-

E

-

T

-

R

-

G

-

F

-

V

E

E

D

G

S

L

S

H

L

A

L

L

K

K

-

R

-

I

-

A

T

R

P

P

E

E

I

I

M

A

S

E

T

A

Y

A

I

L

Y

Y

L

L

L

A

S

S

D

D

D

G

S

A

K

S

D

F

V

V

T

T

G

G

active site: G16 (= G24), S142 (= S153), V153 (≠ W163), Y156 (= Y166), K160 (= K170)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G20), S14 (≠ G22), S15 (≠ A23), G16 (= G24), I17 (= I25), A36 (≠ G44), R37 (≠ K45), N38 (≠ T46), V63 (≠ D71), N89 (= N100), A90 (= A101), G91 (= G102), T140 (= T151), S142 (= S153), Y156 (= Y166), K160 (= K170), P186 (= P196), G188 (≠ A198), T189 (= T199), T191 (= T201)

3uf0A Crystal structure of a putative NAD(p) dependent gluconate 5- dehydrogenase from beutenbergia cavernae(efi target efi-502044) with bound NADP (low occupancy)
33% identity, 95% coverage: 8:240/245 of query aligns to 2:238/249 of 3uf0A

query
sites
3uf0A

P

P

D

F

C

S

L

L

A

A

G

G

K

R

T

T

I

A

L

V

I

V

T

T

G
|
G

A

A

G

G

A
x
S

G
|
G

I
|
I

G

G

K

R

T

A

L

I

A

A

L

H

Q

G

C

Y

A

A

Q

R

Y

A

G

G

A

A

S

H

V

V

I

L

L

A

L

W

G

G

K
x
R

T

T

V

-

K

D

K

G

L

V

E

K

A

E

V

V

Y

A

D

D

Q

E

I

I

L

A

-

D

A

G

V

G

G

G

K

S

Q

A

E

E

A

A

S

V

I

V

L

A

P
x
D

L
|
L

-

A

D

D

L

L

N

E

G

G

A

A

T

A

E

N

Q

V

H

A

Y

E

I

-

D

E

L

L

A

A

D

A

T

T

I

R

K

R

R

-

E

-

Y

-

G

-

K

-

L

V

D

D

A

V

L

L

V

V

H

N

N
|
N

A

A

G
|
G

L
x
I

L

I

G

-

V

A

L

R

G

A

P

P

F

A

T

E

Q

E

I

V

E

S

K

L

N

G

T

R

W

W

D

R

E

E

V

V

M

L

H

T

T

V

N

N

V

L

T

D

A

A

Q

A

F

W

L

V

L

L

T

S

K

R

S

S

L

F

I

G

P

T

V

A

L

M

N

-

L

L

A

A

Q

H

N

G

S

S

S

G

T

R

I

I

F

V

T

T

T
x
I

S
x
A

G
x
S

V

M

G

L

N

S

-

F

-

Q

A

G

G

G

R

R

A

N

Y
x
V

W

-

G

A

A

A

Y
|
Y

S

A

V

A

S

S

K
|
K

F

H

A

A

T

V

E

V

G

G

M

L

M

T

Q

R

V

A

L

L

A

A

D

S

E

E

Y

W

E

A

N

G

S

R

T

G

L

V

R

G

F

V

N

N

A

A

V

L

N

A

P
|
P

G
|
G

-

Y

-
x
V

-

V

-
x
T

A

A

T
x
N

R
x
T

T

A

A

A

M

L

R

R

A

A

S

D

A

D

Y

E

P

R

A

A

E

A

D

E

-

I

-

T

-

A

-

R

-

I

-

P

S

A

S

G

L

R

L

W

K

A

T

T

P

P

E

E

E

D

I

M

M

V

S

G

T

P

Y

A

I

V

Y

F

L

L

L

A

S

S

D

D

D

A

S

A

K

S

D

Y

V

V

T

H

G

G

Q

Q

active site: G18 (= G24), S141 (≠ G154), V151 (≠ Y162), Y154 (= Y166), K158 (= K170)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G14 (= G20), S17 (≠ A23), G18 (= G24), I19 (= I25), R39 (≠ K45), D63 (≠ P69), L64 (= L70), N89 (= N100), G91 (= G102), I92 (≠ L103), I139 (≠ T152), A140 (≠ S153), S141 (≠ G154), Y154 (= Y166), K158 (= K170), P184 (= P196), G185 (= G197), V187 (vs. gap), T189 (vs. gap), N191 (≠ T199), T192 (≠ R200)

3rkrA Crystal structure of a metagenomic short-chain oxidoreductase (sdr) in complex with NADP (see paper)
30% identity, 77% coverage: 11:199/245 of query aligns to 3:188/221 of 3rkrA

query
sites
3rkrA

L

L

A

S

G

G

K

Q

T

V

I

A

L

V

I

V

T

T

G
|
G

A

A

G

S

A
x
R

G
|
G

I

I

G

G

K

A

T

A

L

I

A

A

L

R

Q

K

C

L

A

G

Q

S

Y

L

G

G

A

A

S

R

V

V

I

V

L

L

L

T

G
x
A

K
x
R

T
x
D

V

V

K

E

K

K

L

L

E

R

A

A

V

V

Y

E

D

R

Q

E

I

I

L

V

A

A

V

A

G

G

K

-

Q

-

E

-

A

-

S

-

I

-

L

-

P

-

L

-

D

-

L

-

N

-

G

G

A

E

T

A

E

E

Q

S

H

H

Y

A

I
x
C

D
|
D

L
|
L

A

S

D

H

T

S

-

D

-

A

-

I

-

A

-

F

-

A

-

T

-

G

I

V

K

L

R

A

E

A

Y

H

G

G

K

R

L

C

D

D

A

V

L

L

V

V

H

N

N

N

A
|
A

G
|
G

L
x
V

L
x
G

G

W

V

F

L

G

G

G

P

P

F

L

T

H

Q

T

I

M

E

K

K

P

N

A

T

E

W

W

D

D

E

A

V

L

M

I

H

A

T

V

N

N

V

L

T

K

A

A

Q

P

F

Y

L

L

T

L

K

R

S

A

L

F

I

A

P

P

V

A

L

M

N

I

L

A

A

A

Q

K

N

R

S

G

S

H

T

I

I

I

F

N

T

I

T

S

S
|
S

G

L

V

A

G

G

N

K

A

N

G

P

R

V

A

A

Y

D

W

G

G

A

A

A

Y
|
Y

S

T

V

A

S

S

K
|
K

F

W

A

G

T

L

E

N

G

G

M

L

M

M

Q

T

V

S

L

A

A

A

D

E

E

E

Y

L

E

R

N

Q

S

H

T

Q

L

V

R

R

F

V

N

S

A

L

V

V

N

A

P

P

G

G

A

S

T

V

active site: G16 (= G24), S142 (= S153), Y155 (= Y166), K159 (= K170)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G20), R15 (≠ A23), A36 (≠ G44), R37 (≠ K45), D38 (≠ T46), C61 (≠ I81), D62 (= D82), L63 (= L83), A90 (= A101), G91 (= G102), V92 (≠ L103), G93 (≠ L104)

4fn4A Short-chain NAD(h)-dependent dehydrogenase/reductase from sulfolobus acidocaldarius (see paper)
25% identity, 95% coverage: 11:242/245 of query aligns to 5:245/254 of 4fn4A

query
sites
4fn4A

L

L

A

K

G

N

K

K

T

V

I

V

L

I

I

V

T

T

G
|
G

A

A

G

G

A
x
S

G
|
G

I
|
I

G

G

K

R

T

A

L

I

A

A

L

K

Q

K

C

F

A

A

Q

L

Y

N

G

D

A

S

S

I

V

V

I

V

L

A

L

V

G
x
E

K
x
L

T

L

V

E

K

D

K
x
R

L

L

E

N

A

Q

V

I

Y

V

D

Q

Q

E

I

L

L

R

A

G

V

M

G

G

K

K

Q

E

E

-

A

-

S

-

I

V

L

L

P

G

L

V

D

K

L
x
A

N
x
D

G
x
V

A

S

T

K

E

K

Q

K

H

-

Y

-

I

-

D

D

L

V

A

E

D

E

T

F

I

V

K

R

R

R

E

T

-

F

-

E

-

T

Y

Y

G

S

K

R

L

I

D

D

A

V

L

L

V

C

H

N

N
|
N

A

A

G
|
G

L
x
I

L

M

G

D

V

G

L

V

G

T

P

P

F

V

T

A

Q

E

I

V

E

S

K

D

N

E

T

L

W

W

D

E

E

R

V

V

M

L

H

A

T

V

N

N

V

L

T

Y

A

S

Q

A

F

F

L

Y

L

S

T

S

K

R

S

A

L

V

I

I

P

P

V

I

L

M

N

-

L

L

A

K

Q

Q

N

G

S

K

S

G

T

V

I

I

F

V

T

N

T
|
T

S

A

G
x
S

V

I

G

A

N

G

A

I

G

R

R

G

A

G

Y

F

W

A

G

G

A

A

-

P

Y
|
Y

S

T

V

V

S

A

K
|
K

F

H

A

G

T

L

E

I

G

G

M

L

M

T

Q

R

V

S

L

I

A

A

D

A

E

H

Y

Y

E

G

N

D

S

Q

T

G

L

I

R

R

F

A

N

V

A

A

V

V

N

L

P
|
P

G

G

A

T

T
x
V

R

K

T
|
T

A
x
N

M
x
I

-

G

R

L

A

G

S

S

A

S

Y

K

P

P

A
x
S

E

E

-

L

-

G

-

M

-

R

-

T

-

L

-

T

-

K

-

L

-

M

-

S

D

L

S

S

L

R

L

L

K

A

T

E

P

P

E

E

E

D

I

I

M

A

S

N

T

V

Y

I

I

V

Y

F

L

L

L

A

S

S

D

D

D

E

S

A

K

S

D

F

V

V

T

N

G

G

Q

D

R

A

I

V

active site: G18 (= G24), S144 (≠ G154), Y157 (= Y166), K161 (= K170), S202 (≠ A210)
binding nicotinamide-adenine-dinucleotide: G14 (= G20), S17 (≠ A23), G18 (= G24), I19 (= I25), E38 (≠ G44), L39 (≠ K45), R43 (≠ K49), A63 (≠ L72), D64 (≠ N73), V65 (≠ G74), N91 (= N100), G93 (= G102), I94 (≠ L103), T142 (= T152), S144 (≠ G154), Y157 (= Y166), K161 (= K170), P187 (= P196), V190 (≠ T199), T192 (= T201), N193 (≠ A202), I194 (≠ M203)

6t77A Crystal structure of klebsiella pneumoniae fabg(NADPH-dependent) NADP- complex at 1.75 a resolution (see paper)
28% identity, 94% coverage: 13:243/245 of query aligns to 5:236/244 of 6t77A

query
sites
6t77A

G

G

K

K

T

I

I

A

L

L

I

V

T

T

G
|
G

A

A

G
x
S

A
x
R

G
|
G

I

I

G

G

K

R

T

A

L

I

A

A

L

E

Q

T

C

L

A

V

Q

A

Y

R

G

G

A

A

S

K

V

V

I

I

L

G

L

T

G

A

K
x
T

T

S

V

E

K

S

K

G

L

A

E

Q

A

A

V

I

Y

S

D

D

Q

Y

I

L

L

G

A

A

V

N

G

G

K

K

Q

-

E

-

A

-

S

-

I

-

L

-

P

G

L

L

D

M

L
|
L

N
|
N

G
x
V

A

T

T

D

E

P

Q

A

H

S

Y

I

I

E

D

S

L

V

A

L

D

E

T

N

I

V

K

R

R

A

E

E

Y

F

G

G

K

E

L

V

D

D

A

I

L

L

V

V

H

N

N

N

A
|
A

G
|
G

L
x
I

L

T

G

-

V

R

L

D

G

N

P

L

F

L

T

M

Q

R

I

M

E

K

K

D

N

D

T

E

W

W

D

N

E

D

V

I

M

I

H

E

T

T

N

N

V

L

T

S

A

S

Q

V

F

F

L

R

L

L

T

S

K

K

S

A

L

V

I

M

P

R

V

A

L

M

N

M

L

K

A

K

Q

R

N

H

S

G

S

R

T

I

I

I

F

T

T

I

T

G

S
|
S

G

V

V

V

G

G

N

T

A

M

G

G

R

N

A

A

Y

G

W

Q

G

A

A

N

Y
|
Y

S

A

V

A

S

A

K

K

F

A

A

G

T

L

E

I

G

G

M

F

M

S

Q

K

V

S

L

L

A

A

D

R

E

E

Y

V

E

A

N

S

S

R

T

G

L

I

R

T

F

V

N

N

A

V

V

V

N

A

P

P

G

G

A

F

T

I

R

E

T

T

A

D

M

M

-

T

-

R

-

A

-

L

-

T

-

D

-

E

-

Q

R

R

A

A

S

G

A

T

Y

L

P

A

A

A

E

V

D

P

S

A

S

G

L

R

L

L

K

G

T

T

P

P

E

N

E

E

I

I

M

A

S

S

T

A

Y

V

I

A

Y

F

L

L

L

A

S

S

D

D

D

E

S

A

K

S

D

Y

V

I

T

T

G

G

Q

E

R

T

I

L

N

H

active site: G16 (= G24), S138 (= S153), Y151 (= Y166)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G20), S14 (≠ G22), R15 (≠ A23), T37 (≠ K45), L58 (= L72), N59 (= N73), V60 (≠ G74), A87 (= A101), G88 (= G102), I89 (≠ L103)

1g6kA Crystal structure of glucose dehydrogenase mutant e96a complexed with NAD+
30% identity, 93% coverage: 11:239/245 of query aligns to 5:241/261 of 1g6kA

query
sites
1g6kA

L

L

A

E

G

G

K

K

T

V

I

V

L

V

I

I

T

T

G

G

A

S

G

S

A
x
T

G
|
G

I
x
L

G

G

K

K

T

S

L

M

A

A

L

I

Q

R

C

F

A

A

Q

T

Y

E

G

K

A

A

S

K

V

V

I

V

L

V

L

N

G

Y

K
x
R

T

S

V

-

K

K

K

E

L

D

E

E

A

A

-

N

-

S

V

V

Y

L

D

E

Q

E

I

I

L

K

A

K

V

V

G

G

K

-

Q

G

E

E

A

A

S

I

I

A

L

V

P

K

L

G

D
|
D

L
x
V

N

T

G

-

A

-

T

V

E

E

Q

S

H

D

Y

V

I

I

D

N

L

L

A

V

D

Q

T

S

I

A

K

I

R

K

E

E

Y

F

G

G

K

K

L

L

D

D

A

V

L

M

V

I

H

N

N
|
N

A
|
A

G
|
G

L

L

L

A

G

N

V

P

L

V

G

S

P

S

F

H

T

-

Q

E

I

M

E

S

K

L

N

S

T

D

W

W

D

N

E

K

V

V

M

I

H

D

T

T

N

N

V

L

T

T

A

G

Q

A

F

F

L

L

L

G

T

S

K

R

S

E

L

A

I

I

P

K

V

Y

L

F

N

V

L

E

A

N

Q

D

N

I

S

K

S

G

T

T

I

V

F

I

T

N

T
x
M

S

S

G
x
S

V

V

G

H

N

E

A

-

G

-

R

K

A

I

Y

P

W

W

G

P

-

L

-

F

-

V

A

H

Y
|
Y

S

A

V

A

S

S

K
|
K

F

G

A

G

T

M

E

K

G

L

M

M

M

T

Q

E

V

T

L

L

A

A

D

L

E

E

Y

Y

E

A

N

P

S

K

T

G

L

I

R

R

F

V

N

N

A

N

V

I

N

G

P
|
P

G
|
G

A

A

T
x
I

R

N

T
|
T

A

P

M

I

R

N

A

A

S

E

A

K

Y

F

-

A

-

D

P

P

A

E

E

Q

D

R

S

A

S

D

L

V

-

E

-

S

-

M

-

I

-

P

-

M

-

G

-

Y

L

I

K

G

T

E

P

P

E

E

I

I

M

A

S

A

T

V

Y

A

I

A

Y

W

L

L

L

A

S

S

D

S

D

E

S

A

K

S

D

Y

V

V

T

T

G

G

active site: G18 (= G24), S145 (≠ G154), Y158 (= Y166), K162 (= K170)
binding nicotinamide-adenine-dinucleotide: T17 (≠ A23), G18 (= G24), L19 (≠ I25), R39 (≠ K45), D65 (= D71), V66 (≠ L72), N92 (= N100), A93 (= A101), G94 (= G102), M143 (≠ T152), S145 (≠ G154), Y158 (= Y166), P188 (= P196), G189 (= G197), I191 (≠ T199), T193 (= T201)

P40288 Glucose 1-dehydrogenase; EC 1.1.1.47 from Priestia megaterium (Bacillus megaterium) (see 2 papers)
30% identity, 93% coverage: 11:239/245 of query aligns to 5:241/261 of P40288

query
sites
P40288

L

L

A

E

G

G

K

K

T

V

I

V

L
x
V

I
|
I

T
|
T

G
|
G

A
x
S

G
x
S

A
x
T

G
|
G

I
x
L

G
|
G

K
|
K

T
x
S

L
x
M

A
|
A

L
x
I

Q
x
R

C
x
F

A
|
A

Q
x
T

Y
x
E

G
x
K

A
|
A

S
x
K

V
|
V

I
x
V

L

V

L

N

G

Y

K

R

T

S

V

-

K

K

K

E

L

D

E

E

A

A

-

N

-

S

V

V

Y

L

D

E

Q

E

I

I

L

K

A

K

V

V

G

G

K

-

Q

G

E

E

A

A

S

I

I

A

L

V

P

K

L

G

D

D

L

V

N

T

G

-

A

-

T

V

E

E

Q

S

H

D

Y

V

I

I

D

N

L

L

A

V

D

Q

T

S

I

A

K

I

R

K

E

E

Y

F

G

G

K

K

L

L

D

D

A

V

L

M

V

I

H

N

N

N

A

A

G

G

L

L

L
x
E

G

N

V

P

L

V

G

S

P

S

F

H

T

-

Q

E

I

M

E

S

K

L

N

S

T
x
D

W

W

D

N

E

K

V
|
V

M

I

H

D

T

T

N

N

V

L

T

T

A

G

Q

A

F

F

L

L

L

G

T

S

K

R

S

E

L

A

I

I

P

K

V

Y

L

F

N

V

L
x
E

A

N

Q

D

N

I

S

K

S

G

T

T

I

V

F

I

T

N

T

M

S

S

G

S

V

V

G

H

N

E

A

-

G

-

R

K

A

I

Y

P

W

W

G

P

-

L

-

F

-

V

A

H

Y

Y

S

A

V

A

S

S

K

K

F

G

A

G

T

M

E

K

G

L

M

M

M

T

Q

E

V

T

L

L

A

A

D

L

E

E

Y

Y

E

A

N

P

S

K

T

G

L

I

R

R

F
x
V

N

N

A

N

V

I

N

G

P

P

G

G

A

A

T

I

R

N

T

T

A
x
P

M

I

R

N

A

A

S

E

A

K

Y

F

-

A

-

D

P

P

A

E

E

Q

D

R

S

A

S

D

L

V

-
x
E

-

S

-

M

-

I

-

P

-

M

-

G

-
x
Y

L

I

K

G

T

E

P

P

E

E

I

I

M

A

S

A

T

V

Y

A

I

A

Y

W

L

L

L

A

S

S

D

S

D

E

S

A

K

S

D

Y

V

V

T

T

G

G

11:35 (vs. 17:41, 40% identical) binding NADP(+)
E96 (≠ L104) mutation E->A,G,K: Heat stable.
D108 (≠ T117) mutation to N: Heat stable.
V112 (= V121) mutation to A: Heat stable.
E133 (≠ L142) mutation to K: Heat stable.
V183 (≠ F191) mutation to I: Heat stable.
P194 (≠ A202) mutation to Q: Heat stable.
E210 (vs. gap) mutation to K: Heat stable.
Y217 (vs. gap) mutation to H: Heat stable.

Sites not aligning to the query:

252 Q→L: Heat stable.
253 Y→C: Heat stable.
258 A→G: Heat stable.

2hsdA The refined three-dimensional structure of 3alpha,20beta- hydroxysteroid dehydrogenase and possible roles of the residues conserved in short-chain dehydrogenases (see paper)
31% identity, 95% coverage: 11:242/245 of query aligns to 3:235/253 of 2hsdA

query
sites
2hsdA

L

L

A

S

G

G

K

K

T

T

I

V

L

I

I

I

T

T

G
|
G

A

G

G

A

A
x
R

G
|
G

I
x
L

G

G

K

A

T

E

L

A

A

A

L

R

Q

Q

C

A

A

V

Q

A

Y

A

G

G

A

A

S

R

V

V

I

V

L

L

L

-

G

-

K

-

T

-

V

-

K

-

L

-

E

A

A
x
D

V
|
V

Y

L

D

D

Q

E

I

E

L

G

A

A

V

A

G

T

K

A

Q

R

E

E

-

L

-

G

-

D

-

A

A

A

S

R

I

Y

L

Q

P

H

L
|
L

D

D

L
x
V

N

T

G

-

A

-

T

I

E

E

Q

E

H

D

Y

W

I

Q

D

R

L

V

A

V

D

A

T

Y

I

A

K

R

R

E

E

E

Y

F

G

G

K

S

L

V

D

D

A

G

L

L

V

V

H

N

N
|
N

A
|
A

G

G

L

I

L

-

G

-

V

S

L

T

G

G

P

M

F

F

T

L

Q

E

I

T

E

E

K

S

-

V

N

E

T

R

W

F

D

R

E

K

V

V

M

V

H

E

T

I

N

N

V

L

T

T

A

G

Q

V

F

F

L

I

L

G

T

M

K

K

S

T

L

V

I

I

P

P

V

A

L

M

N

K

L

D

A

A

Q

G

N

G

S

G

S

S

T

I

I

V

F

N

T

I

T

S

S
|
S

G

A

V

A

G

G

N

L

A

M

G

G

R

L

A

A

Y

L

W

T

G

S

A

S

Y
|
Y

S

G

V

A

S

S

K
|
K

F

W

A

G

T

V

E

R

G

G

M

L

M

S

Q

K

V

L

L

A

A

A

D

V

E

E

Y

L

E

G

N

T

S

D

T

R

L

I

R

R

F

V

N

N

A

S

V

V

N

H

P
|
P

G
|
G

A

M

T
|
T

R

Y

T

T

A

P

M

M

R

T

A

A

S

E

A

T

-

G

-

I

-

R

-

Q

-

G

-

E

-

G

-

N

Y

Y

P

P

A

N

E

T

D

P

S

M

S

G

L

R

L

V

K

G

T

E

P

P

E

G

E

E

I

I

M

A

S

G

T

A

Y

V

I

V

Y

K

L

L

S

S

D

D

D

T

S

S

K

S

D

Y

V

V

T

T

G

G

Q

A

R

E

I

L

active site: G16 (= G24), S138 (= S153), Y151 (= Y166), K155 (= K170)
binding nicotinamide-adenine-dinucleotide: G12 (= G20), R15 (≠ A23), G16 (= G24), L17 (≠ I25), D36 (≠ A52), V37 (= V53), L58 (= L70), V60 (≠ L72), N86 (= N100), A87 (= A101), S138 (= S153), Y151 (= Y166), K155 (= K170), P181 (= P196), G182 (= G197), T184 (= T199)

1hdcA Mechanism of inhibition of 3alpha,20beta-hydroxysteroid dehydrogenase by a licorice-derived steroidal inhibitor (see paper)
31% identity, 95% coverage: 11:242/245 of query aligns to 3:235/253 of 1hdcA

query
sites
1hdcA

L

L

A

S

G

G

K

K

T

T

I

V

L

I

I

I

T

T

G

G

A

G

G

A

A

R

G
|
G

I

L

G

G

K

A

T

E

L

A

A

A

L

R

Q

Q

C

A

A

V

Q

A

Y

A

G

G

A

A

S

R

V

V

I

V

L

L

L

-

G

-

K

-

T

-

V

-

K

-

L

-

E

A

A

D

V

V

Y

L

D

D

Q

E

I

E

L

G

A

A

V

A

G

T

K

A

Q

R

E

E

-

L

-

G

-

D

-

A

A

A

S

R

I

Y

L

Q

P

H

L

L

D

D

L

V

N

T

G

-

A

-

T

I

E

E

Q

E

H

D

Y

W

I

Q

D

R

L

V

A

V

D

A

T

Y

I

A

K

R

R

E

E

E

Y

F

G

G

K

S

L

V

D

D

A

G

L

L

V

V

H

N

N

N

A

A

G

G

L

I

L

-

G

-

V
x
S

L
x
T

G
|
G

P

M

F

F

T

L

Q

E

I

T

E

E

K

S

-

V

N

E

T

R

W

F

D

R

E

K

V

V

M

V

H

E

T

I

N

N

V

L

T

T

A

G

Q

V

F

F

L

I

L

G

T

M

K

K

S

T

L

V

I

I

P

P

V

A

L

M

N

K

L

D

A

A

Q

G

N

G

S

G

S

S

T

I

I

V

F

N

T

I

T

S

S
|
S

G

A

V

A

G

G

N

L

A

M

G

G

R

L

A

A

Y
x
L

W

T

G

S

A

S

Y
|
Y

S

G

V

A

S

S

K
|
K

F

W

A

G

T

V

E

R

G

G

M

L

M

S

Q

K

V

L

L

A

A

A

D

V

E

E

Y

L

E

G

N

T

S

D

T

R

L

I

R

R

F

V

N

N

A

S

V

V

N

H

P

P

G

G

A
x
M

T

T

R

Y

T

T

A

P

M
|
M

R
x
T

A

A

S

E

A
x
T

-

G

-

I

-

R

-

Q

-

G

-

E

-

G

-

N

Y

Y

P

P

A

N

E

T

D

P

S

M

S

G

L

R

L

V

K

G

T

E

P

P

E

G

E

E

I

I

M

A

S

G

T

A

Y

V

I

V

Y

K

L

L

S

S

D

D

D

T

S

S

K

S

D

Y

V

V

T

T

G

G

Q

A

R

E

I

L

active site: G16 (= G24), S138 (= S153), Y151 (= Y166), K155 (= K170)
binding carbenoxolone: S90 (≠ V106), T91 (≠ L107), G92 (= G108), L147 (≠ Y162), Y151 (= Y166), M183 (≠ A198), M188 (= M203), T189 (≠ R204), T192 (≠ A207)

Q8KES3 Sepiapterin reductase; SPR; cSR; EC 1.1.1.325 from Chlorobaculum tepidum (strain ATCC 49652 / DSM 12025 / NBRC 103806 / TLS) (Chlorobium tepidum) (see 2 papers)
28% identity, 84% coverage: 16:222/245 of query aligns to 5:213/244 of Q8KES3

query
sites
Q8KES3

I

L

L

L

I

I

T

T

G
|
G

A
|
A

G
|
G

A
x
K

G
|
G

I
|
I

G
|
G

K

R

T

A

L

I

A

A

L

L

Q

E

C

F

A

A

Q

R

-

A

-

R

-

H

-

P

-

D

Y

F

G

E

A

P

S

V

V

L

I

V

L

L

L

S

G
x
S

K
x
R

T
|
T

V

A

K

A

K

D

L

L

E

E

A

K

V

I

Y

S

D

L

Q

E

I

C

L

R

A

A

V

E

G

G

K

A

Q

L

E

T

A

D

S

T

I

I

L

T

P

A

L

-

D
|
D

L
x
I

N

S

G

D

A

M

T

A

E

D

Q

V

H

R

Y

R

I

-

D

-

L

L

A

T

D

T

T

H

I

I

K

V

R

E

E

R

Y

Y

G

G

K

H

L

I

D

D

A

C

L

L

V

V

H

N

N
|
N

A

A

G

G

L

V

L

-

G

G

V

R

L
x
F

G

G

P

A

F

L

T

S

Q

D

I

L

E

T

K

E

N

E

T

D

W

F

D

D

E

Y

V

T

M

M

H

N

T
|
T

N

N

V

L

T

K

A

G

Q

T

F

F

L

F

L

L

T

T

K

Q

S

A

L

L

I

F

P

A

V

L

L

M

N

E

L

R

A

Q

Q

H

N

S

S

G

S

H

T

I

I

F

F

F

T

I

T

T

S
|
S

G

V

V

A

G

A

N

T

A

K

G

A

R

F

A

R

Y

H

W

S

G

S

A

I

Y
|
Y

S

C

V

M

S

S

K
|
K

F

F

A

G

T

Q

E

R

G

G

M

L

M

V

Q

E

V

T

L

M

A

R

D

L

E

Y

Y

A

E

R

N

K

S

C

T

N

L

V

R

R

F

I

N

T

A

D

V

V

N

Q

P

P

G

G

A

A

T
x
V

R
x
Y

T
|
T

A
x
P

M
|
M

R
x
W

A

G

S

K

A

V

Y

-

P

D

A

D

E

E

D

M

S

Q

S

A

L

L

L

M

K

M

T

M

P

P

E

E

E

D

I

I

9:15 (vs. 20:26, 86% identical) binding NADP(+)
SRT 40:42 (≠ GKT 44:46) binding NADP(+)
DI 66:67 (≠ DL 71:72) binding NADP(+)
N93 (= N100) binding NADP(+)
F99 (≠ L107) binding substrate; mutation to A: Drastically reduces activity. Complete loss of activity; when associated with A-196.
T116 (= T124) binding NADP(+)
S145 (= S153) binding substrate
Y158 (= Y166) binding NADP(+); binding substrate
K162 (= K170) binding NADP(+)
VYTPMW 191:196 (≠ TRTAMR 199:204) binding NADP(+)
W196 (≠ R204) binding substrate; mutation to A: Drastically reduces activity. Complete loss of activity; when associated with A-99.

2bd0D Chlorobium tepidum sepiapterin reductase complexed with NADP and sepiapterin (see paper)
28% identity, 84% coverage: 16:222/245 of query aligns to 4:212/240 of 2bd0D

query
sites
2bd0D

I

L

L

L

I

I

T

T

G
|
G

A

A

G

G

A
x
K

G

G

I
|
I

G

G

K

R

T

A

L

I

A

A

L

L

Q

E

C

F

A

A

Q

R

-

A

-

R

-

H

-

P

-

D

Y

F

G

E

A

P

S

V

V

L

I

V

L

L

L

S

G
x
S

K
x
R

T
|
T

V

A

K

A

K

D

L

L

E

E

A

K

V

I

Y

S

D

L

Q

E

I

C

L

R

A

A

V

E

G

G

K

A

Q

L

E

T

A

D

S

T

I

I

L

T

P

A

L

-

D
|
D

L
x
I

N

S

G

-

A

-

T

-

E

-

Q

-

H

-

Y

-

I

-

D

D

L

M

A

A

D

D

T

V

-

R

-

L

-

T

-

H

I

I

K

V

R

E

E

R

Y

Y

G

G

K

H

L

I

D

D

A

C

L

L

V

V

H

N

N
|
N

A

A

G
|
G

L
x
V

L

-

G

G

V

R

L
x
F

G

G

P

A

F

L

T

S

Q

D

I

L

E

T

K

E

N

E

T

D

W

F

D

D

E

Y

V

T

M

M

H

N

T
|
T

N

N

V

L

T

K

A

G

Q

T

F

F

L

F

L

L

T

T

K

Q

S

A

L

L

I

F

P

A

V

L

L

M

N

E

L

R

A

Q

Q

H

N

S

S

G

S

H

T

I

I

F

F

F

T

I

T

T

S
|
S

G

V

V

A

G

A

N

T

A

K

G

A

R

F

A

R

Y

H

W

S

G

S

A

I

Y
|
Y

S

C

V

M

S

S

K
|
K

F

F

A

G

T

Q

E

R

G

G

M

L

M

V

Q

E

V

T

L

M

A

R

D

L

E

Y

Y

A

E

R

N

K

S

C

T

N

L

V

R

R

F

I

N

T

A

D

V

V

N

Q

P
|
P

G

G

A
|
A

T
x
V

R

Y

T
|
T

A
x
P

M
|
M

R
x
W

A

G

S

K

A

V

Y

-

P

D

A

D

E

E

D

M

S

Q

S

A

L

L

L

M

K

M

T

M

P

P

E

E

E

D

I

I

active site: S144 (= S153), Y157 (= Y166), K161 (= K170)
binding biopterin: F98 (≠ L107), S144 (= S153), Y157 (= Y166), M194 (= M203), W195 (≠ R204)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G20), K11 (≠ A23), I13 (= I25), S39 (≠ G44), R40 (≠ K45), T41 (= T46), D65 (= D71), I66 (≠ L72), N92 (= N100), G94 (= G102), V95 (≠ L103), T115 (= T124), S144 (= S153), Y157 (= Y166), K161 (= K170), P187 (= P196), A189 (= A198), V190 (≠ T199), T192 (= T201), P193 (≠ A202), M194 (= M203), W195 (≠ R204)

2bd0A Chlorobium tepidum sepiapterin reductase complexed with NADP and sepiapterin (see paper)
28% identity, 84% coverage: 16:222/245 of query aligns to 4:212/240 of 2bd0A

query
sites
2bd0A

I

L

L

L

I

I

T

T

G
|
G

A

A

G

G

A
x
K

G
|
G

I
|
I

G

G

K

R

T

A

L

I

A

A

L

L

Q

E

C

F

A

A

Q

R

-

A

-

R

-

H

-

P

-

D

Y

F

G

E

A

P

S

V

V

L

I

V

L

L

L

S

G

S

K
x
R

T
|
T

V

A

K

A

K

D

L

L

E

E

A

K

V

I

Y

S

D

L

Q

E

I

C

L

R

A

A

V

E

G

G

K

A

Q

L

E

T

A

D

S

T

I

I

L

T

P

A

L

-

D
|
D

L
x
I

N

S

G

-

A

-

T

-

E

-

Q

-

H

-

Y

-

I

-

D

D

L

M

A

A

D

D

T

V

-

R

-

L

-

T

-

H

I

I

K

V

R

E

E

R

Y

Y

G

G

K

H

L

I

D

D

A

C

L

L

V

V

H

N

N
|
N

A
|
A

G
|
G

L
x
V

L

-

G

G

V

R

L

F

G

G

P

A

F

L

T

S

Q

D

I

L

E

T

K

E

N

E

T

D

W

F

D

D

E

Y

V

T

M

M

H

N

T
|
T

N

N

V

L

T

K

A

G

Q

T

F

F

L

F

L

L

T

T

K

Q

S

A

L

L

I

F

P

A

V

L

L

M

N

E

L

R

A

Q

Q

H

N

S

S

G

S

H

T

I

I

F

F

F

T
x
I

T

T

S
|
S

G

V

V

A

G

A

N

T

A

K

G

A

R

F

A

R

Y

H

W

S

G

S

A

I

Y
|
Y

S

C

V

M

S

S

K
|
K

F

F

A

G

T

Q

E

R

G

G

M

L

M

V

Q

E

V

T

L

M

A

R

D

L

E

Y

Y

A

E

R

N

K

S

C

T

N

L

V

R

R

F

I

N

T

A

D

V

V

N

Q

P
|
P

G

G

A
|
A

T
x
V

R

Y

T
|
T

A
x
P

M
|
M

R
x
W

A

G

S

K

A

V

Y

-

P

D

A

D

E

E

D

M

S

Q

S

A

L

L

L

M

K

M

T

M

P

P

E

E

E

D

I

I

active site: S144 (= S153), Y157 (= Y166), K161 (= K170)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G20), K11 (≠ A23), G12 (= G24), I13 (= I25), R40 (≠ K45), T41 (= T46), D65 (= D71), I66 (≠ L72), N92 (= N100), A93 (= A101), G94 (= G102), V95 (≠ L103), T115 (= T124), I142 (≠ T151), S144 (= S153), K161 (= K170), P187 (= P196), A189 (= A198), V190 (≠ T199), T192 (= T201), P193 (≠ A202), M194 (= M203), W195 (≠ R204)

4i08A Crystal structure of beta-ketoacyl-acyl carrier protein reductase (fabg) from vibrio cholerae in complex with NADPH (see paper)
29% identity, 95% coverage: 11:243/245 of query aligns to 6:235/243 of 4i08A

query
sites
4i08A

L

L

A

E

G

G

K

K

T

V

I

A

L

L

I

V

T

T

G
|
G

A

A

G
x
S

A
x
R

G
|
G

I
|
I

G

G

K

K

T

A

L

I

A

A

L

E

Q

L

C

L

A

A

Q

E

Y

R

G

G

A

A

S

K

V

V

I

I

L

G

L

T

G

A

K
x
T

T

S

V

E

K

S

K

G

L

A

E

Q

A

A

V

I

Y

S

D

D

Q

Y

I

L

L

G

A

D

V

N

G

G

K

K

Q

G

E

M

A

A

S

-

I

-

L

-

P

-

L

-

D

-

L

L

N
|
N

G
x
V

A

T

T

N

E

P

Q

E

H

S

Y

I

I

E

D

A

L

V

A

L

D

K

T

A

I

I

K

T

R

D

E

E

Y

F

G

G

K

G

L

V

D

D

A

I

L

L

V

V

H

N

N
|
N

A
|
A

G

G

L

I

L

T

G

-

V

R

L

D

G

N

P

L

F

L

T

M

Q

R

I

M

E

K

K

E

N

E

T

E

W

W

D

S

E

D

V

I

M

M

H

E

T

T

N
|
N

V

L

T

T

A

S

Q

I

F

F

L

R

L

L

T

S

K

K

S

A

L

V

I

L

P

R

V

G

L

M

N

M

L

K

A

K

Q

R

N

Q

S

G

S

R

T

I

I

I

F

N

T

V

T
x
G

S
|
S

G

V

V

V

G

G

N

T

A

M

G

G

R

N

A

A

Y

G

W
x
Q

G

A

A

N

Y
|
Y

S

A

V

A

S

A

K
|
K

F

A

A

G

T

V

E

I

G

G

M

F

M

T

Q

K

V

S

L

M

A

A

D

R

E

E

Y

V

E

A

N

S

S

R

T

G

L

V

R

T

F

V

N

N

A

T

V

V

N

A

P
|
P

G
|
G

A

F

T

I

R

E

T
|
T

A

D

M

M

-

N

-

D

-

E

-

Q

R

R

A

T

S

A

A

T

Y

L

P

A

A

Q

E

V

D

P

S

A

S

G

L

R

L

L

K

G

T

D

P

P

E

R

E

E

I

I

M

A

S

S

T

A

Y

V

I

A

Y

F

L

L

L

A

S

S

D

P

D

E

S

A

K

A

D

Y

V

I

T

T

G

G

Q

E

R

T

I

L

N

H

active site: G19 (= G24), N113 (= N125), S141 (= S153), Q151 (≠ W163), Y154 (= Y166), K158 (= K170)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G15 (= G20), S17 (≠ G22), R18 (≠ A23), I20 (= I25), T40 (≠ K45), N62 (= N73), V63 (≠ G74), N89 (= N100), A90 (= A101), G140 (≠ T152), S141 (= S153), Y154 (= Y166), K158 (= K170), P184 (= P196), G185 (= G197), T189 (= T201)

5ojiA Crystal structure of the dehydrogenase/reductase sdr family member 4 (dhrs4) from caenorhabditis elegans (see paper)
26% identity, 94% coverage: 13:242/245 of query aligns to 10:250/260 of 5ojiA

query
sites
5ojiA

G

G

K

K

T

V

I

A

L

I

I

V

T

T

G
x
A

A

A

G
x
T

A

K

G
|
G

I
|
I

G

G

K

L

T

A

L

I

A

A

L

E

Q

R

C

L

A

L

Q

D

Y

E

G

G

A

A

S

S

V

V

I

V

L

I

L

G