SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_017549319.1 NCBI__GCF_000330705.1:WP_017549319.1 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)

A0QV10 Aldo-keto reductase MSMEG_2408/MSMEI_2347; EC 1.1.1.- from Mycolicibacterium smegmatis (strain ATCC 700084 / mc(2)155) (Mycobacterium smegmatis) (see paper)
45% identity, 92% coverage: 9:267/283 of query aligns to 7:262/275 of A0QV10

query
sites
A0QV10

L

L

N

N

D

D

G

G

T

N

D

S

T

I

P

P

A

Q

I

V

G

G

L

L

G

G

T

-

V

V

G

W

L

Q

K

T

G

P

A

A

R

E

G

D

V

T

G

E

S

R

I

A

V

V

T

A

A

A

I

A

E

L

K

Q

N

A

G

G

Y

Y

R

R

L

H

I

I

D

D

T

T

S

A

T

A

N

A

Y

Y

D

R

N

N

E

E

G

T

A

E

V

T

G

G

E

R

A

A

I

I

R

A

R

N

T

S

A

G

V

V

P

P

R

R

E

E

E

D

L

I

I

F

I

L

N

V

S

T

K

K

L

L

P

W

G

N

A

S

A

D

H

Q

D

G

Y

Y

D

D

Q

A

A

T

I

L

Q

A

M

A

I

F

Q

D

E

A

S

S

L

V

Y

Q

R

R

I

L

G

G

I

V

D

D

Y

Y

F

L

D

D

K

L

Y

Y

L

L

I

I

H

H

W

W

P

P

L

V

P

P

K

E

Q

N

G

N

K

K

Y

F

V

V

E

D

A

T

W

F

Q

K

A

A

L

F

I

A

D

H

A

L

R

R

K

D

F

Q

G

G

L

R

I

I

K

R

T

S

I

I

G

G

V

V

S

S

N

N

F

F

L

E

T

P

E

E

H

H

L

L

E

T

K

T

L

L

I

I

D

E

E

E

T

T

G

G

V

I

T

V

P

P

A

A

T

V

N

N

Q

Q

I

I

E

E

R

L

H

H

P

P

Y

L

F

L

N

P

N

Q

E

E

L

L

V

R

E

D

D

V

N

H

K

A

R

K

L

L

G

G

I

I

V

A

P

T

E

E

A

A

W

W

S

S

P

P

F

L

G

G

R

Q

E

-

I

-

N

G

D

S

V

L

L

L

E

A

N

D

E

P

T

V

I

I

R

T

G

G

I

I

A

A

Q

E

K

Q

Y

H

G

G

K

K

S

T

P

P

A

A

Q

Q

I

V

I

L

V

I

R

R

W

W

N

H

V

I

Q

Q

N

L

D

G

V

N

L

I

V

V

I

I

P

P

K

K

S

S

S

V

S

N

P

P

V

E

H

R

Q

I

R

A

E

S

N

N

L

F

D

D

V

V

F

F

D

D

F

F

E

E

L

L

S

S

N

G

E

Q

D

D

V

I

K

T

E

S

I

I

D

A

S

S

L

L

D

E

K

T

G

G

E
x
K

K262 (≠ E267) modified: Isoglutamyl lysine isopeptide (Lys-Gln) (interchain with Q-Cter in protein Pup)

3wbwA Crystal structure of gox0644 in complex with NADPH
41% identity, 95% coverage: 8:277/283 of query aligns to 7:267/271 of 3wbwA

query
sites
3wbwA

G

S

L

F

N

H

D

D

G

G

T

H

D

T

T

M

P

P

A

Q

I

I

G

G

L

L

G
|
G

T

-

V

V

G

W

L

E

K

T

G

P

A

P

R

D

G

E

V

T

G

A

S

E

I

V

V

V

T

K

A

E

I

A

E

V

K

K

N

L

G

G

Y

Y

R

R

L

S

I

V

D
|
D

T

T

S

A

T

R

N

L

Y
|
Y

D

K

N

N

E

E

G

E

A

G

V

V

G

G

E

K

A

G

I

L

R

E

R

-

T

-

A

-

V

-

P

D

R

H

E

P

E

E

L

I

I

F

I

L

N

T

S

T

K
|
K

L

L

P

W

G

N

A

D

A

E

H

Q

D

G

Y

Y

D

D

Q

S

A

T

I

L

Q

R

M

A

I

Y

Q

E

E

E

S

S

L

A

Y

R

R

L

I

L

G

R

I

R

D

P

Y

V

F

L

D

D

K

L

Y

Y

L

L

I

I

H
|
H

W

W

P

P

L

M

P

P

K

A

Q

Q

G

G

K

Q

Y

Y

V

V

E

E

A

T

W

W

Q

K

A

A

L

L

I

V

D

E

A

L

R

K

K

K

F

S

G

G

L

R

I

V

K

K

T

S

I

I

G

G

V

V

S

S

N
|
N

F

F

L

E

T

S

E

E

H

H

L

L

E

E

K

R

L

I

I

M

D

D

E

A

T

T

G

G

V

V

T

V

P

P

A

V

T

V

N

N

Q

Q

I

I

E

E

R

L

H

H

P

P

Y

D

F

F

N

Q

N

R

E

A

L

L

V

R

E

E

D

F

N

H

K

E

R

K

L

H

G

N

I

I

V

R

P

T

E

E

A

S

W
|
W

S
x
R

P
|
P

F
x
L

G

G

R

K

E

-

I

-

N

G

D

R

V

V

L
|
L

E

S

N

D

E

E

T

R

I

I

R

G

G

K

I

I

A

A

Q

E

K

K

Y

H

G

S

K

R

S

T

P

P

A
|
A

Q

Q

I

V

V

I

R

R

W

W

N

H

V

L

Q

Q

N

N

D

G

V

L

L

I

V

V

I

I

P

P

K
|
K

S
|
S

S
x
V

S

N

P

P

V

K

H
x
R

Q

L

R

A

E
|
E

N
|
N

L

L

D

D

V

V

F

F

D

G

F

F

E

V

L

L

S

D

N

A

E

D

D

D

V

M

K

Q

E

A

I

I

D

E

S

Q

L

M

D

D

K

R

G

-

E

K

E

D

G

G

R

R

V

M

E

-

G

G

Q

A

H

D

P

P

N

N

active site: D45 (= D47), Y50 (= Y52), K71 (= K77), H104 (= H110)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G20 (= G21), H104 (= H110), N136 (= N142), W183 (= W189), R184 (≠ S190), P185 (= P191), L186 (≠ F192), L192 (= L200), A209 (= A217), K226 (= K234), S227 (= S235), V228 (≠ S236), R232 (≠ H240), E235 (= E243), N236 (= N244)

1m9hA Corynebacterium 2,5-dkgr a and phe 22 replaced with tyr (f22y), lys 232 replaced with gly (k232g), arg 238 replaced with his (r238h)and ala 272 replaced with gly (a272g)in presence of nadh cofactor (see paper)
41% identity, 96% coverage: 9:280/283 of query aligns to 7:277/277 of 1m9hA

query
sites
1m9hA

L

L

N

N

D

D

G

G

T

N

D

S

T

I

P

P

A

Q

I

L

G

G

L

Y

G
|
G

T

V

V
x
Y

G

K

L

V

K

P

G

P

A

A

R

D

G

T

V

Q

G

R

S

A

I

V

V

E

T

E

A

A

I

L

E

E

K

V

N

-

G

G

Y

Y

R

R

L

H

I

I

D
|
D

T

T

S

A

T

A

N

I

Y
|
Y

D

G

N

N

E

E

G

E

A

G

V

V

G

G

E

A

A

A

I

I

R

A

T

S

A

G

V

I

P

A

R

R

E

D

L

L

I

F

I

I

N

T

S

T

K
|
K

L

L

P

W

G

N

A

D

A

R

H

H

D

D

Y

G

D

D

Q

E

A

P

I

A

Q

A

M

A

I

I

Q

A

E

E

S

S

L

L

Y

A

R

K

I

L

G

A

I

L

D

D

Y

Q

F

V

D

D

K

L

Y

Y

L

L

I

V

H
|
H

W

W

P

P

L

T

P

P

K

A

Q

A

G

D

K

N

Y

Y

V

V

E

H

A

A

W

W

Q

E

A

K

L

M

I

I

D

E

A

L

R

R

K

A

F

A

G

G

L

L

I

T

K

R

T

S

I

I

G

G

V

V

S

S

N

N

F

H

L

L

T

V

E

P

H

H

L

L

E

E

K

R

L

I

I

V

D

A

E

A

T

T

G

G

V

V

T

V

P

P

A

A

T

V

N

N

Q
|
Q

I

I

E

E

R

L

H

H

P

P

Y

A

F

Y

N

Q

N

R

E

E

L

I

V

T

E

D

D

W

N

A

K

A

R

A

L

H

G

D

I

V

V

K

P

I

E

E

A

S

W
|
W

S
x
G

P
|
P

F
x
L

G

G

R
x
Q

E

G

I

K

N

Y

D

D

V

L

L

F

E

G

N

A

E

E

T

P

I

V

R

T

G

A

I

A

A

A

Q

A

K

A

Y

H

G

G

K

K

S

T

P

P

A
|
A

Q

Q

I

A

I

V

V

L

R

R

W

W

N

H

V

L

Q

Q

N

K

D

G

V

F

L

V

V

V

I
x
F

P
|
P

K
x
G

S

S

S

V

S

R

P

R

V

E

H
|
H

Q

L

R

E

E

E

N
|
N

L

L

D

D

V

V

F

F

D

D

F

F

E

D

L

L

S

T

N

D

E

T

D

E

V

I

K

A

E

A

I

I

D

D

S

A

L

M

D

D

K

P

G

G

E

D

-

G

E

S

G

G

R

R

V

V

E

S

G

G

Q

-

H

H

P

P

N

D

E

E

Y

V

E

D

active site: D44 (= D47), Y49 (= Y52), K74 (= K77), H107 (= H110)
binding nicotinamide-adenine-dinucleotide: G19 (= G21), Y21 (≠ V23), Y49 (= Y52), H107 (= H110), Q160 (= Q163), W186 (= W189), G187 (≠ S190), P188 (= P191), L189 (≠ F192), Q191 (≠ R194), A214 (= A217), F229 (≠ I232), P230 (= P233), G231 (≠ K234), H237 (= H240), N241 (= N244)

P06632 2,5-diketo-D-gluconic acid reductase A; 2,5-DKG reductase A; 2,5-DKGR A; 25DKGR-A; AKR5C; EC 1.1.1.346 from Corynebacterium sp. (strain ATCC 31090) (see 3 papers)
40% identity, 99% coverage: 1:280/283 of query aligns to 1:278/278 of P06632

query
sites
P06632

M
|
M

T

T

V

V

D

P

K

S

M

I

Y

V

G

-

L

L

N

N

D

D

G

G

T

N

D

S

T

I

P

P

A

Q

I

L

G

G

L

Y

G

G

T

V

V

F

G

K

L

V

K

P

G

P

A

A

R

D

G

T

V

Q

G

R

S

A

I

V

V

E

T

E

A

A

I

L

E

E

K

V

N

-

G

G

Y

Y

R

R

L

H

I

I

D

D

T

T

S

A

T

A

N

I

Y
|
Y

D

G

N

N

E

E

G

E

A

G

V

V

G

G

E

A

A

A

I

I

R

A

T

S

A

G

V

I

P

A

R

R

E

D

L

L

I

F

I

I

N

T

S

T

K

K

L

L

P

W

G

N

A

D

A

R

H

H

D

D

Y

G

D

D

Q

E

A

P

I

A

Q

A

M

A

I

I

Q

A

E

E

S

S

L

L

Y

A

R

K

I

L

G

A

I

L

D

D

Y

Q

F

V

D

D

K

L

Y

Y

L

L

I

V

H
|
H

W

W

P

P

L

T

P

P

K

A

Q

A

G

D

K

N

Y

Y

V

V

E

H

A

A

W

W

Q

E

A

K

L

M

I

I

D

E

A

L

R

R

K

A

F

A

G

G

L

L

I

T

K

R

T

S

I

I

G

G

V

V

S

S

N

N

F

H

L

L

T

V

E

P

H

H

L

L

E

E

K

R

L

I

I

V

D

A

E

A

T

T

G

G

V

V

T

V

P

P

A

A

T

V

N

N

Q

Q

I

I

E

E

R

L

H

H

P

P

Y

A

F

Y

N

Q

N

R

E

E

L

I

V

T

E

D

D

W

N

A

K

A

R

A

L

H

G

D

I

V

V

K

P

I

E

E

A

S

W

W

S
x
G

P
|
P

F
x
L

G
|
G

R
x
Q

E
x
G

I
x
K

N
x
Y

D
|
D

V
x
L

L
x
F

E
x
G

N
x
A

E
|
E

T
x
P

I
x
V

R
x
T

G
x
A

I
x
A

A
|
A

Q
x
A

K
x
A

Y
x
H

G
|
G

K
|
K

S
x
T

P
|
P

A
|
A

Q
|
Q

I
x
A

I
x
V

V
x
L

R
|
R

W
|
W

N
x
H

V
x
L

Q
|
Q

N
x
K

D
x
G

V
x
F

L
x
V

V
|
V

I
x
F

P
|
P

K
|
K

S
|
S

S
x
V

S
x
R

P
x
R

V
x
E

H
x
R

Q
x
L

R
x
E

E
|
E

N
|
N

L

L

D

D

V

V

F

F

D

D

F

F

E

D

L

L

S

T

N

D

E

T

D

E

V

I

K

A

E

A

I

I

D

D

S

A

L

M

D

D

K

P

G

G

E

D

-

G

E

S

G

G

R

R

V

V

E

S

G

A

Q

-

H

H

P

P

N

D

E

E

Y

V

E

D

M1 (= M1) modified: Initiator methionine, Removed
Y50 (= Y52) active site, Proton donor
H108 (= H110) binding substrate
188:242 (vs. 190:244, 35% identical) binding NADP(+)

A0QV09 Aldo-keto reductase MSMEG_2407/MSMEI_2346; AKR; AKR5H1; EC 1.1.1.- from Mycolicibacterium smegmatis (strain ATCC 700084 / mc(2)155) (Mycobacterium smegmatis) (see paper)
39% identity, 93% coverage: 9:270/283 of query aligns to 16:274/283 of A0QV09

query
sites
A0QV09

L

L

N

N

D

D

G

D

T

N

D

T

T

L

P

P

A

V

I

V

G

G

L

I

G

G

T

V

V

G

G

E

L

L

K

S

G

D

A

S

R

E

G

A

V

E

G

R

S

S

I

V

V

S

T

A

A

A

I

L

E

E

K

A

N

-

G

G

Y

Y

R

R

L

L

I

I

D

D

T

T

S

A

T

A

N

A

Y

Y

D

G

N

N

E

E

G

A

A

A

V

V

G

G

E

R

A

A

I

I

R

A

T

S

A

G

V

I

P

P

R

R

E

D

E

E

L

I

I

Y

I

V

N

T

S

T

K

K

L

L

P

A

G

T

A

P

A

D

H

Q

D

G

Y

F

D

T

Q

S

A

S

I

Q

Q

A

M

A

I

A

Q

R

E

A

S

S

L

L

Y

E

R

R

I

L

G

G

I

L

D

D

Y

Y

F

V

D

D

K

L

Y

Y

L

L

I

I

H

H

W

W

P

P

L

G

P

G

K

D

Q

T

G

S

K

K

Y

Y

V

V

E

D

A

S

W

W

Q

G

A

G

L

L

I

M

D

K

A

V

R

K

K

E

F

D

G

G

L

I

I

A

K

R

T

S

I

I

G

G

V

V

S

C

N

N

F

F

L

G

T

A

E

E

H

D

L

L

E

E

K

T

L

I

I

V

D

S

E

L

T

T

G

Y

V

F

T

T

P

P

A

A

T

V

N

N

Q

Q

I

I

E

E

R

L

H

H

P

P

Y

L

F

L

N

N

N

Q

N

A

E

A

L

L

V

R

E

E

D

V

N

N

K

A

R

G

L

Y

G

N

I

I

V

V

P

T

E

E

A

A

W

Y

S
x
G

P

P

F
x
L

G

G

R

-

E

-

I
x
V

N

G

D

R

V

L

L

L

E

D

N

H

E

P

T

A

I

V

R

T

G

A

I

I

A

A

Q

E

K

A

Y

H

G

G

K

R

S

T

P

A

A

A

Q

Q

I

V

I

L

V

L

R

R

W

W

N

S

V

I

Q

Q

N

L

D

G

V

N

L

V

V

V

I
|
I

P

S

K
x
R

S
|
S

S
x
A

S

N

P

P

V

E

H
x
R

Q

I

R

A

E
x
S

N
|
N

L

L

D

D

V

V

F

F

D

G

F

F

E

E

L

L

S

T

N

A

E

D

D

E

V

M

K

E

E

T

I

L

D

N

S

G

L

L

D

D

K

D

G

G

E

T

E

R

G

F

R
|
R

G196 (≠ S190) binding NADPH
L198 (≠ F192) binding NADPH
V200 (≠ I196) binding NADPH
I236 (= I232) binding NADPH
R238 (≠ K234) binding NADPH
S239 (= S235) binding NADPH
A240 (≠ S236) binding NADPH
R244 (≠ H240) binding NADPH
S247 (≠ E243) binding NADPH
N248 (= N244) binding NADPH
R274 (= R270) binding NADPH

2wzmA Crystal structure of a mycobacterium aldo-keto reductase in its apo and liganded form (see paper)
39% identity, 93% coverage: 9:270/283 of query aligns to 7:265/274 of 2wzmA

query
sites
2wzmA

L

L

N

N

D

D

G

D

T

N

D

T

T

L

P

P

A

V

I

V

G

G

L

I

G

G

T

V

V

G

G

E

L

L

K

S

G

D

A

S

R

E

G

A

V

E

G

R

S

S

I

V

V

S

T

A

A

A

I

L

E

E

K

A

N

-

G

G

Y

Y

R

R

L

L

I

I

D
|
D

T

T

S

A

T

A

N

A

Y
|
Y

D

G

N

N

E

E

G

A

A

A

V

V

G

G

E

R

A

A

I

I

R

A

T

S

A

G

V

I

P

P

R

R

E

D

E

E

L

I

I

Y

I

V

N

T

S

T

K
|
K

L

L

P

A

G

T

A

P

A

D

H

Q

D

G

Y

F

D

T

Q

S

A

S

I

Q

Q

A

M

A

I

A

Q

R

E

A

S

S

L

L

Y

E

R

R

I

L

G

G

I

L

D

D

Y

Y

F

V

D

D

K

L

Y

Y

L

L

I

I

H
|
H

W

W

P

P

L

G

P

G

K

D

Q

T

G

S

K

K

Y

Y

V

V

E

D

A

S

W

W

Q

G

A

G

L

L

I

M

D

K

A

V

R

K

K

E

F

D

G

G

L

I

I

A

K

R

T

S

I

I

G

G

V

V

S

C

N

N

F

F

L

G

T

A

E

E

H

D

L

L

E

E

K

T

L

I

I

V

D

S

E

L

T

T

G

Y

V

F

T

T

P

P

A

A

T

V

N

N

Q

Q

I

I

E

E

R

L

H

H

P

P

Y

L

F

L

N

N

N

Q

N

A

E

A

L

L

V

R

E

E

D

V

N

N

K

A

R

G

L

Y

G

N

I

I

V

V

P

T

E

E

A

A

W
x
Y

S
x
G

P
|
P

F
x
L

G
|
G

R

-

E

-

I
x
V

N
x
G

D

R

V

L

L
|
L

E

D

N

H

E

P

T

A

I

V

R

T

G

A

I

I

A

A

Q

E

K

A

Y

H

G

G

K

R

S

T

P

A

A
|
A

Q

Q

I

V

I

L

V

L

R

R

W

W

N

S

V

I

Q

Q

N

L

D

G

V

N

L

V

V

V

I
|
I

P

S

K
x
R

S
|
S

S

A

S

N

P

P

V

E

H
x
R

Q

I

R

A

E

S

N
|
N

L

L

D

D

V

V

F

F

D

G

F

F

E

E

L

L

S

T

N

A

E

D

D

E

V

M

K

E

E

T

I

L

D

N

S

G

L

L

D

D

K

D

G

G

E

T

E

R

G

F

R
|
R

active site: D44 (= D47), Y49 (= Y52), K74 (= K77), H107 (= H110)
binding [(2r,3r,4r,5r)-5-(6-amino-9h-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]methyl [(2r,3s,4s)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate: Y186 (≠ W189), G187 (≠ S190), P188 (= P191), L189 (≠ F192), G190 (= G193), V191 (≠ I196), G192 (≠ N197), L195 (= L200), A212 (= A217), I227 (= I232), R229 (≠ K234), S230 (= S235), R235 (≠ H240), N239 (= N244), R265 (= R270)

1a80A Native 2,5-diketo-d-gluconic acid reductase a from corynbacterium sp. Complexed with NADPH (see paper)
40% identity, 96% coverage: 9:280/283 of query aligns to 7:277/277 of 1a80A

query
sites
1a80A

L

L

N

N

D

D

G

G

T

N

D

S

T

I

P

P

A

Q

I

L

G

G

L

Y

G
|
G

T

V

V
x
F

G

K

L

V

K

P

G

P

A

A

R

D

G

T

V

Q

G

R

S

A

I

V

V

E

T

E

A

A

I

L

E

E

K

V

N

-

G

G

Y

Y

R

R

L

H

I

I

D
|
D

T

T

S

A

T

A

N

I

Y
|
Y

D

G

N

N

E

E

G

E

A

G

V

V

G

G

E

A

A

A

I

I

R

A

T

S

A

G

V

I

P

A

R

R

E

D

L

L

I

F

I

I

N

T

S

T

K
|
K

L

L

P

W

G

N

A

D

A

R

H

H

D

D

Y

G

D

D

Q

E

A

P

I

A

Q

A

M

A

I

I

Q

A

E

E

S

S

L

L

Y

A

R

K

I

L

G

A

I

L

D

D

Y

Q

F

V

D

D

K

L

Y

Y

L

L

I

V

H
|
H

W

W

P

P

L

T

P

P

K

A

Q

A

G

D

K

N

Y

Y

V

V

E

H

A

A

W

W

Q

E

A

K

L

M

I

I

D

E

A

L

R

R

K

A

F

A

G

G

L

L

I

T

K

R

T

S

I

I

G

G

V

V

S
|
S

N

N

F

H

L

L

T

V

E

P

H

H

L

L

E

E

K

R

L

I

I

V

D

A

E

A

T

T

G

G

V

V

T

V

P

P

A

A

T

V

N

N

Q
|
Q

I

I

E

E

R

L

H

H

P

P

Y

A

F

Y

N

Q

N

R

E

E

L

I

V

T

E

D

D

W

N

A

K

A

R

A

L

H

G

D

I

V

V

K

P

I

E

E

A

S

W
|
W

S
x
G

P
|
P

F
x
L

G

G

R
x
Q

E

G

I

K

N

Y

D

D

V

L

L

F

E

G

N

A

E

E

T

P

I

V

R

T

G

A

I

A

A

A

Q

A

K

A

Y

H

G

G

K

K

S

T

P

P

A
|
A

Q

Q

I

A

I

V

V

L

R

R

W

W

N

H

V

L

Q

Q

N

K

D

G

V

F

L

V

V

V

I
x
F

P

P

K
|
K

S
|
S

S
x
V

S
x
R

P

R

V

E

H
x
R

Q

L

R

E

E
|
E

N
|
N

L

L

D

D

V

V

F

F

D

D

F

F

E

D

L

L

S

T

N

D

E

T

D

E

V

I

K

A

E

A

I

I

D

D

S

A

L

M

D

D

K

P

G

G

E

D

-

G

E

S

G

G

R

R

V

V

E

S

G

A

Q

-

H

H

P

P

N

D

E

E

Y

V

E

D

active site: D44 (= D47), Y49 (= Y52), K74 (= K77), H107 (= H110)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G19 (= G21), F21 (≠ V23), D44 (= D47), Y49 (= Y52), H107 (= H110), S138 (= S141), Q160 (= Q163), W186 (= W189), G187 (≠ S190), P188 (= P191), L189 (≠ F192), Q191 (≠ R194), A214 (= A217), F229 (≠ I232), K231 (= K234), S232 (= S235), V233 (≠ S236), R234 (≠ S237), R237 (≠ H240), E240 (= E243), N241 (= N244)

1vp5A Crystal structure of 2,5-diketo-d-gluconic acid reductase (tm1009) from thermotoga maritima at 2.40 a resolution
38% identity, 95% coverage: 9:276/283 of query aligns to 7:274/284 of 1vp5A

query
sites
1vp5A

L

L

N

N

D

N

G

G

T

V

D

E

T

M

P

P

A

I

I

L

G

G

L

Y

G
|
G

T
x
V

V
x
F

G

Q

L

I

K

P

G

P

A

E

R

K

G

T

V

E

G

E

S

C

I

V

V

Y

T

E

A

A

I

I

E

-

K

K

N

V

G

G

Y

Y

R

R

L

L

I

I

D
|
D

T

T

S

A

T

A

N

S

Y
|
Y

D

M

N

N

E

E

G

E

A

G

V

V

G

G

E

R

A

A

I

I

R

K

R

R

T

A

A

I

-

D

-

E

-

G

-

I

V

V

P

R

R

R

E

E

L

L

I

F

I

V

N

T

S

T

K
|
K

L

L

P

W

G

V

A

S

A

D

H

V

D

G

Y

Y

D

E

Q

S

A

T

I

K

Q

K

M

A

I

F

Q

E

E

K

S

S

L

L

Y

K

R

K

I

L

G

Q

I

L

D

E

Y

Y

F

I

D

D

K

L

Y

Y

L

L

I

I

H
|
H

W

Q

P

P

L

F

P

-

K

-

Q

-

G

G

K

D

Y

V

V

H

E

C

A

A

W

W

Q

K

A

A

L

M

I

E

D

E

A

M

R

Y

K

K

F

D

G

G

L

L

I

V

K

R

T

A

I

I

G

G

V

V

S

S

N
|
N

F

F

L

Y

T

P

E

D

H

R

L

L

E

M

K

D

L

L

I

M

D

V

E

H

T

H

G

E

V

I

T

V

P

P

A

A

T

V

N

N

Q
|
Q

I

I

E

E

R

I

H

H

P

P

Y

F

F

Y

N

Q

N

R

N

Q

E

E

L

E

V

I

E

E

D

F

N

M

K

R

R

N

L

Y

G

N

I

I

V

Q

P

P

E

E

A

A

W
|
W

S
x
G

P
|
P

F
|
F

G

A

R
x
E

E

G

I

R

N

K

D

N

V

I

L
x
F

E

Q

N

N

E

G

T

V

I

L

R

R

G

S

I

I

A

A

Q

E

K

K

Y

Y

G

G

K

K

S

T

P

V

A
|
A

Q

Q

I

V

I

I

V

L

R

R

W

W

N

L

V

T

Q

Q

N

K

D

G

V

I

L

V

V

A

I
|
I

P

P

K
|
K

S
x
T

S
x
V

S

R

P

R

V

E

H
x
R

Q

M

R

K

E
|
E

N
|
N

L

I

D

S

V

I

F

F

D

D

F

F

E

E

L

L

S

T

N

Q

E

E

D

D

V

M

K

E

E

K

I

I

D

A

S

T

L

L

D

D

K

E

G

G

E

Q

E

S

G

A

R

F

V

F

E

S

G

H

Q

R

H

D

P

P

active site: D44 (= D47), Y49 (= Y52), K78 (= K77), H111 (= H110)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G19 (= G21), V20 (≠ T22), F21 (≠ V23), D44 (= D47), Y49 (= Y52), N140 (= N142), Q161 (= Q163), W187 (= W189), G188 (≠ S190), P189 (= P191), F190 (= F192), E192 (≠ R194), F198 (≠ L200), A215 (= A217), I230 (= I232), K232 (= K234), T233 (≠ S235), V234 (≠ S236), R238 (≠ H240), E241 (= E243), N242 (= N244)

Q9GV41 9,11-endoperoxide prostaglandin H2 reductase; Prostaglandin F2-alpha synthase; EC 1.1.1.- from Trypanosoma brucei brucei
36% identity, 94% coverage: 1:266/283 of query aligns to 1:262/276 of Q9GV41

query
sites
Q9GV41

M

M

T

A

V

L

D

T

K

Q

M

S

Y

L

G

K

L

L

N

S

D

N

G

G

T

V

D

M

T

M

P

P

A

V

I

L

G

G

L

F

G

G

T
x
M

V
x
W

G

K

L

L

K

Q

G

D

A

G

R

N

G

E

V

A

G

E

S

T

I

A

V

T

T

M

A

W

I

A

E

I

K

K

N

S

G

G

Y

Y

R

R

L

H

I

I

D
|
D

T

T

S

A

T

A

N

I

Y

Y

D

K

N

N

E

E

G

E

A

S

V

A

G

G

E

R

A

A

I

I

R

A

R

S

T

C

A

G

V

V

P

P

R

R

E

E

L

L

I

F

I

V

N

T

S

T

K

K

L

L

P

W

G

N

A

S

A

D

H

Q

D

G

Y

Y

D

E

Q

S

A

T

I

L

Q

S

M

A

I

F

Q

E

E

K

S

S

L

I

Y

K

R

K

I

L

G

G

I

L

D

E

Y

Y

F

V

D

D

K

L

Y

Y

L

L

I

I

H

H

W

W

P

-

L

-

P

P

K

G

Q

K

G

D

K

K

Y

F

V

I

E

D

A

T

W

W

Q

K

A

A

L

F

I

E

D

K

A

L

R

Y

K

A

F

D

G

K

L

K

I

V

K

R

T

A

I

I

G

G

V

V

S
|
S

N
|
N

F

F

L

H

T

E

E

H

H

H

L

I

E

E

K

E

L

L

I

L

D

K

E

H

T

C

G

K

V

V

T

A

P

P

A

M

T

V

N

N

Q
|
Q

I

I

E

E

R

L

H

H

P

P

Y

L

F

L

N

N

N

Q

N

K

E

A

L

L

V

C

E

E

D

Y

N

C

K

K

R

S

L

K

G

N

I

I

V

A

P

V

E

T

A

A

W
|
W

S
|
S

P
|
P

F
x
L

G
|
G

R
x
Q

E

-

I

-

N

G

D

H

V

L

L

V

E

E

N

D

E

A

T

R

I

L

R

K

G

A

I

I

A

G

Q

G

K

K

Y

Y

G

G

K

K

S

T

P

A

A

A

Q

Q

I

V

I

M

V

L

R

R

W

W

N

E

V

I

Q

Q

N

A

D

G

V

V

L

I

V

T

I

I

P

P

K
|
K

S
|
S

S
x
G

S

N

P

E

V

A

H
x
R

Q
x
I

R
x
K

E
|
E

N
|
N

L

G

D

N

V

I

F

F

D

D

F

F

E

E

L

L

S

T

N

A

E

E

D

D

V

I

K

Q

E

V

I

I

D

D

S

G

L

M

D

N

K

A

G

G

MW 22:23 (≠ TV 22:23) binding NADP(+)
D47 (= D47) binding NADP(+)
SN 139:140 (= SN 141:142) binding NADP(+)
Q161 (= Q163) binding NADP(+)
WSPLGQ 187:192 (≠ WSPFGR 189:194) binding NADP(+)
KSG 230:232 (≠ KSS 234:236) binding NADP(+)
RIKEN 236:240 (≠ HQREN 240:244) binding NADP(+)

1vbjA The crystal structure of prostaglandin f synthase from trypanosoma brucei
36% identity, 94% coverage: 1:266/283 of query aligns to 6:267/281 of 1vbjA

query
sites
1vbjA

M

M

T

A

V

L

D

T

K

Q

M

S

Y

L

G

K

L

L

N

S

D

N

G

G

T

V

D

M

T

M

P

P

A

V

I

L

G

G

L

F

G
|
G

T
x
M

V
x
W

G

K

L

L

K

Q

G

D

A

G

R

N

G

E

V

A

G

E

S

T

I

A

V

T

T

M

A

W

I

A

E

I

K

K

N

S

G

G

Y

Y

R

R

L

H

I

I

D
|
D

T

T

S

A

T

A

N

I

Y
|
Y

D

K

N

N

E

E

G

E

A

S

V

A

G

G

E

R

A

A

I

I

R

A

R

S

T

C

A

G

V

V

P

P

R

R

E

E

L

L

I

F

I

V

N

T

S

T

K
|
K

L

L

P

W

G

N

A

S

A

D

H

Q

D

G

Y

Y

D

E

Q

S

A

T

I

L

Q

S

M

A

I

F

Q

E

E

K

S

S

L

I

Y

K

R

K

I

L

G

G

I

L

D

E

Y

Y

F

V

D

D

K

L

Y

Y

L

L

I

I

H
|
H

W

W

P

-

L

-

P

P

K

G

Q

K

G

D

K

K

Y

F

V

I

E

D

A

T

W

W

Q

K

A

A

L

F

I

E

D

K

A

L

R

Y

K

A

F

D

G

K

L

K

I

V

K

R

T

A

I

I

G

G

V

V

S

S

N
|
N

F

F

L

H

T

E

E

H

H

H

L

I

E

E

K

E

L

L

I

L

D

K

E

H

T

C

G

K

V

V

T

A

P

P

A

M

T

V

N

N

Q
|
Q

I

I

E

E

R

L

H

H

P

P

Y

L

F

L

N

N

N

Q

N

K

E

A

L

L

V

C

E

E

D

Y

N

C

K

K

R

S

L

K

G

N

I

I

V

A

P

V

E

T

A

A

W
|
W

S
|
S

P
|
P

F
x
L

G

G

R
x
Q

E

-

I

-

N
x
G

D

H

V

L

L
x
V

E

E

N

D

E

A

T

R

I

L

R

K

G

A

I

I

A

G

Q

G

K

K

Y

Y

G

G

K

K

S

T

P

A

A
|
A

Q

Q

I

V

I

M

V

L

R

R

W

W

N

E

V

I

Q

Q

N

A

D

G

V

V

L

I

V

T

I
|
I

P

P

K
|
K

S
|
S

S
x
G

S

N

P

E

V

A

H
x
R

Q

I

R

K

E
|
E

N
|
N

L

G

D

N

V

I

F

F

D

D

F

F

E

E

L

L

S

T

N

A

E

E

D

D

V

I

K

Q

E

V

I

I

D

D

S

G

L

M

D

N

K

A

G

G

active site: D52 (= D47), Y57 (= Y52), K82 (= K77), H115 (= H110)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G26 (= G21), M27 (≠ T22), W28 (≠ V23), D52 (= D47), Y57 (= Y52), H115 (= H110), N145 (= N142), Q166 (= Q163), W192 (= W189), S193 (= S190), P194 (= P191), L195 (≠ F192), Q197 (≠ R194), G198 (≠ N197), V201 (≠ L200), A218 (= A217), I233 (= I232), K235 (= K234), S236 (= S235), G237 (≠ S236), R241 (≠ H240), E244 (= E243), N245 (= N244)

4g5dA X-ray crystal structure of prostaglandin f synthase from leishmania major friedlin bound to NADPH (see paper)
40% identity, 93% coverage: 3:264/283 of query aligns to 3:269/283 of 4g5dA

query
sites
4g5dA

V

V

D

D

K

K

-

A

M

M

Y

V

G

T

L

L

N

S

D

N

G

G

T

V

D

K

T

M

P

P

A

Q

I

F

G

G

L

L

G
|
G

T
x
V

V
x
W

G

Q

L

S

K

P

G

A

A

G

R

E

G

V

V

T

G

E

S

N

I

A

V

V

T

K

A

W

I

A

E

L

K

C

N

A

G

G

Y

Y

R

R

L

H

I

I

D
|
D

T

T

S

A

T

A

N

I

Y
|
Y

D

K

N

N

E

E

G

E

A

S

V

V

G

G

E

A

A

G

I

L

R

R

R

A

T

S

A

G

V

V

P

P

R

R

E

E

E

D

L

V

I

F

I

I

N

T

S

T

K
|
K

L

L

P

W

G

N

A

T

A

E

H

Q

D

G

Y

Y

D

E

Q

S

A

T

I

L

Q

A

M

A

I

F

Q

E

E

E

S

S

L

R

Y

Q

R

K

I

L

G

G

I

V

D

D

Y

Y

F

I

D

D

K

L

Y

Y

L

L

I

I

H
|
H

W

W

P

P

-

R

-

G

-

K

-

D

-

I

L

L

P

S

K

K

Q

E

G

G

-

K

K

K

Y

Y

V

L

E

D

A

S

W

W

Q

R

A

A

L

F

I

E

D

Q

A

L

R

Y

K

K

F

E

G

K

L

K

I

V

K

R

T

A

I

I

G

G

V

V

S
|
S

N
|
N

F

F

L

H

T

I

E

H

H

H

L

L

E

E

K

D

L

V

I

L

D

A

E

M

T

C

G

T

V

V

T

T

P

P

A

M

T

V

N

N

Q
|
Q

I

V

E

E

R

L

H

H

P

P

Y

L

F

N

N

N

N

Q

N

A

E

D

L

L

V

R

E

A

D

F

N

C

K

D

R

A

L

K

G

Q

I

I

V

K

P

V

E

E

A

A

W
|
W

S
|
S

P
|
P

F
x
L

G

G

R
x
Q

E

-

I

-

N
x
G

D

K

V

L

L
|
L

E

S

N

N

E

P

T

I

I

L

R

S

G

A

I

I

A

G

Q

A

K

K

Y

Y

G

N

K

K

S

T

P

A

A

A

Q

Q

I

V

I

I

V

L

R

R

W

W

N

N

V

I

Q

Q

N

K

D

N

V

L

L

I

V

T

I
|
I

P
|
P

K
|
K

S
|
S

S
x
V

S
x
H

P

R

V

E

H
x
R

Q

I

R

E

E
|
E

N
|
N

L

A

D

D

V

I

F

F

D

D

F

F

E

E

L

L

S

G

N

A

E

E

D

D

V

V

K

M

E

S

I

I

D

D

S

A

L

L

D

N

active site: D48 (= D47), Y53 (= Y52), K78 (= K77), H111 (= H110)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G22 (= G21), V23 (≠ T22), W24 (≠ V23), D48 (= D47), Y53 (= Y52), H111 (= H110), S148 (= S141), N149 (= N142), Q170 (= Q163), W196 (= W189), S197 (= S190), P198 (= P191), L199 (≠ F192), Q201 (≠ R194), G202 (≠ N197), L205 (= L200), I237 (= I232), P238 (= P233), K239 (= K234), S240 (= S235), V241 (≠ S236), H242 (≠ S237), R245 (≠ H240), E248 (= E243), N249 (= N244)

3d3fA Crystal structure of yvgn and cofactor NADPH from bacillus subtilis (see paper)
43% identity, 95% coverage: 9:278/283 of query aligns to 10:272/275 of 3d3fA

query
sites
3d3fA

L

L

N

H

D

N

G

G

T

V

D

E

T

M

P

P

A

W

I

F

G

G

L

L

G
|
G

T

V

V
x
F

G

K

L

V

K

E

G

N

A

G

R

N

G

E

V

A

G

T

S

E

I

S

V

V

T

K

A

A

I

A

E

I

K

K

N

N

G

G

Y

Y

R

R

L

S

I

I

D
|
D

T

T

S

A

T

A

N

I

Y
|
Y

D

K

N

N

E

E

G

E

A

G

V

V

G

G

E

I

A

G

I

I

R

K

R

E

T

S

A

G

V

V

P

A

R

R

E

E

L

L

I

F

I

I

N

T

S

S

K
|
K

L

V

P

W

G

N

A

E

A

D

H

Q

D

G

Y

Y

D

E

Q

T

A

T

I

L

Q

A

M

A

I

F

Q

E

E

K

S

S

L

L

Y

E

R

R

I

L

G

Q

I

L

D

D

Y

Y

F

L

D

D

K

L

Y

Y

L

L

I

I

H
|
H

W

W

P

-

L

-

P

P

K

G

Q

K

G

D

K

K

Y

Y

V

K

E

D

A

T

W

W

Q

R

A

A

L

L

I

E

D

K

A

L

R

Y

K

K

F

D

G

G

L

K

I

I

K

R

T

A

I

I

G

G

V

V

S
|
S

N
|
N

F

F

L

Q

T

V

E

H

H

H

L

L

E

E

K

E

L

L

I

L

D

K

E

D

T

A

G

E

V

I

T

K

P

P

A

M

T

V

N

N

Q
|
Q

I

V

E

E

R

F

H

H

P

P

Y

R

F

L

N

T

N

Q

N

K

E

E

L

L

V

R

E

D

D

Y

N

C

K

K

R

G

L

Q

G

G

I

I

V

Q

P

L

E

E

A

A

W
|
W

S
|
S

P
|
P

F
x
L

G

M

R
x
Q

E

-

I

-

N

G

D

Q

V

L

L
|
L

E

D

N

N

E

E

T

V

I

L

R

T

G

Q

I

I

A

A

Q

E

K

K

Y

H

G

N

K

K

S

S

P

V

A

A

Q

Q

I

V

I

I

V

L

R

R

W

W

N

D

V

L

Q

Q

N

H

D

G

V

V

L

V

V

T

I
|
I

P

P

K
|
K

S
|
S

S

I

S
x
K

P

E

V

H

H
x
R

Q

I

R

I

E
|
E

N
|
N

L

A

D

D

V

I

F

F

D

D

F

F

E

E

L

L

S

S

N

Q

E

E

D

D

V

M

K

D

E

K

I

I

D

D

S

A

L

L

D

N

K

K

G

D

E

E

E

-

G

-

R

R

V

V

E

-

G

G

Q

P

H

N

P

P

N

D

E

E

active site: D48 (= D47), Y53 (= Y52), K78 (= K77), H111 (= H110)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G22 (= G21), F24 (≠ V23), D48 (= D47), Y53 (= Y52), H111 (= H110), S140 (= S141), N141 (= N142), Q162 (= Q163), W188 (= W189), S189 (= S190), P190 (= P191), L191 (≠ F192), Q193 (≠ R194), L197 (= L200), I229 (= I232), K231 (= K234), S232 (= S235), K234 (≠ S237), R237 (≠ H240), E240 (= E243), N241 (= N244)

4gieA Crystal structure of prostaglandin f synthase from trypanosoma cruzi bound to NADP (see paper)
38% identity, 96% coverage: 9:279/283 of query aligns to 17:283/288 of 4gieA

query
sites
4gieA

L

L

N

H

D

N

G

S

T

V

D

R

T

M

P

P

A

Q

I

L

G

G

L

L

G
|
G

T

V

V
x
W

G

R

L

A

K

Q

-

D

G

G

A

A

R

E

G

T

V

A

G

N

S

A

I

V

V

R

T

W

A

A

I

I

E

E

K

A

N

-

G

G

Y

Y

R

R

L

H

I

I

D
|
D

T

T

S

A

T

Y

N

I

Y
|
Y

D

S

N

N

E

E

G

R

A

G

V

V

G

G

E

Q

A

G

I

I

R

R

R

E

T

S

A

G

V

V

P

P

R

R

E

E

L

V

I

W

I

V

N

T

S

T

K
|
K

L

V

P

W

G

N

A

S

A

D

H

Q

D

G

Y

Y

D

E

Q

K

A

T

I

L

Q

A

M

A

I

F

Q

E

E

R

S

S

L

R

Y

E

R

L

I

L

G

G

I

L

D

E

Y

Y

F

I

D

D

K

L

Y

Y

L

L

I

I

H
|
H

W
|
W

P

P

L

G

P

K

K

K

Q

-

G

-

K

K

Y

F

V

V

E

D

A

T

W

W

Q

K

A

A

L

L

I

E

D

K

A

L

R

Y

K

E

F

E

G

K

L

K

I

V

K

R

T

A

I

I

G

G

V

V

S

S

N
|
N

F

F

L

E

T

P

E

H

H

H

L

L

E

T

K

E

L

L

I

F

D

K

E

S

T

C

G

K

V

I

T

R

P

P

A

M

T

V

N

N

Q
|
Q

I

V

E

E

R

L

H

H

P

P

Y

L

F

F

N

Q

N

R

E

T

L

L

V

R

E

E

D

F

N

C

K

K

R

Q

L

H

G

N

I

I

V

A

P

I

E

T

A

A

W
|
W

S
|
S

P
|
P

F
x
L

G

G

R
x
S

-

G

E

E

I

E

N

A

D

G

V

I

L
|
L

E

K

N

N

E

H

T

V

I

L

R

G

G

E

I

I

A

A

Q

K

K

K

Y

H

G

N

K

K

S

S

P

P

A
|
A

Q

Q

I

V

V

I

R

R

W

W

N

D

V

I

Q

Q

N

H

D

G

V

I

L

V

V

T

I
|
I

P
|
P

K
|
K

S
|
S

S

T

S

N

P

K

V

G

H
x
R

Q

I

R

Q

E
|
E

N
|
N

L

F

D

N

V

V

F

W

D

D

F

F

E

K

L

L

S

T

N

E

E

E

D

E

V

M

K

R

E

Q

I

I

D

D

S

E

L

L

D

N

K

-

G

-

E

E

E

D

G

K

R

R

V

I

E

-

G

G

Q

A

H

D

P

P

N

D

E

N

Y

F

active site: D55 (= D47), Y60 (= Y52), K85 (= K77), H118 (= H110)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G29 (= G21), W31 (≠ V23), D55 (= D47), Y60 (= Y52), H118 (= H110), W119 (= W111), N148 (= N142), Q169 (= Q163), W195 (= W189), S196 (= S190), P197 (= P191), L198 (≠ F192), S200 (≠ R194), L207 (= L200), A224 (= A217), I239 (= I232), P240 (= P233), K241 (= K234), S242 (= S235), R247 (≠ H240), E250 (= E243), N251 (= N244)

4fziA Crystal structure of prostaglandin f synthase from trypanosoma cruzi (see paper)
38% identity, 96% coverage: 9:279/283 of query aligns to 6:272/277 of 4fziA

query
sites
4fziA

L

L

N

H

D

N

G

S

T

V

D

R

T

M

P

P

A

Q

I

L

G

G

L

L

G

G

T

V

V
x
W

G

R

L

A

K

Q

-

D

G

G

A

A

R

E

G

T

V

A

G

N

S

A

I

V

V

R

T

W

A

A

I

I

E

E

K

A

N

-

G

G

Y

Y

R

R

L

H

I

I

D
|
D

T

T

S

A

T

Y

N

I

Y
|
Y

D

S

N

N

E

E

G

R

A

G

V

V

G

G

E

Q

A

G

I

I

R

R

R

E

T

S

A

G

V

V

P

P

R

R

E

E

L

V

I

W

I

V

N

T

S

T

K
|
K

L

V

P

W

G

N

A

S

A

D

H

Q

D

G

Y

Y

D

E

Q

K

A

T

I

L

Q

A

M

A

I

F

Q

E

E

R

S

S

L

R

Y

E

R

L

I

L

G

G

I

L

D

E

Y

Y

F

I

D

D

K

L

Y

Y

L

L

I

I

H
|
H

W

W

P

P

L

G

P

K

K

K

Q

-

G

-

K

K

Y

F

V

V

E

D

A

T

W

W

Q

K

A

A

L

L

I

E

D

K

A

L

R

Y

K

E

F

E

G

K

L

K

I

V

K

R

T

A

I

I

G

G

V

V

S

S

N

N

F

F

L

E

T

P

E

H

H

H

L

L

E

T

K

E

L

L

I

F

D

K

E

S

T

C

G

K

V

I

T

R

P

P

A

M

T

V

N

N

Q

Q

I

V

E

E

R

L

H

H

P

P

Y

L

F

F

N

Q

N

R

E

T

L

L

V

R

E

E

D

F

N

C

K

K

R

Q

L

H

G

N

I

I

V

A

P

I

E

T

A

A

W
|
W

S

S

P

P

F

L

G

G

R

S

-

G

E

E

I

E

N

A

D

G

V

I

L

L

E

K

N

N

E

H

T

V

I

L

R

G

G

E

I

I

A

A

Q

K

K

K

Y

H

G

N

K

K

S

S

P

P

A

A

Q

Q

I

V

V

I

R

R

W

W

N

D

V

I

Q

Q

N

H

D

G

V

I

L

V

V

T

I

I

P

P

K

K

S

S

S

T

S

N

P

K

V

G

H

R

Q

I

R

Q

E

E

N

N

L

F

D

N

V

V

F

W

D

D

F

F

E

K

L

L

S

T

N

E

E

E

D

E

V

M

K

R

E

Q

I

I

D

D

S

E

L

L

D

N

K

-

G

-

E

E

E

D

G

K

R

R

V

I

E

-

G

G

Q

A

H

D

P

P

N

D

E

N

Y

F

active site: D44 (= D47), Y49 (= Y52), K74 (= K77), H107 (= H110)
binding glutamic acid: W20 (≠ V23), Y49 (= Y52), H107 (= H110), W184 (= W189)

3b3dA B.Subtilis ytbe (see paper)
43% identity, 91% coverage: 9:265/283 of query aligns to 11:267/280 of 3b3dA

query
sites
3b3dA

L

L

N

H

D

N

G

G

T

V

D

E

T

M

P

P

A

W

I

F

G

G

L

L

G

G

T

V

V

F

G

Q

L

V

K

E

-

E

G

G

A

S

R

E

G

L

V

V

G

N

S

A

I

V

V

K

T

T

A

A

I

I

E

-

K

V

N

H

G

G

Y

Y

R

R

L

S

I

I

D
|
D

T

T

S

A

T

A

N

I

Y
|
Y

D

G

N

N

E

E

G

A

A

G

V

V

G

G

E

E

A

G

I

I

R

R

R

E

-

G

-

I

-

E

T

A

A

G

V

I

P

S

R

R

E

E

E

D

L

L

I

F

I

I

N

T

S

S

K
|
K

L

V

P

W

G

N

A

A

A

D

H

L

D

G

Y

Y

D

E

Q

E

A

T

I

L

Q

A

M

A

I

F

Q

E

E

T

S

S

L

L

Y

S

R

K

I

L

G

G

I

L

D

D

Y

Y

F

L

D

D

K

L

Y

Y

L

L

I

I

H
|
H

W

W

P

P

L

V

P

-

K

-

Q

E

G

G

K

K

Y

Y

V

K

E

E

A

A

W

W

Q

R

A

A

L

L

I

E

D

T

A

L

R

Y

K

K

F

E

G

G

L

R

I

I

K

K

T

A

I

I

G

G

V

V

S

S

N

N

F

F

L

Q

T

I

E

H

H

H

L

L

E

E

K

D

L

L

I

M

D

T

E

A

T

A

G

E

V

I

T

K

P

P

A

M

T

I

N

N

Q

Q

I

V

E

E

R

F

H

H

P

P

Y

R

F

L

N

T

N

Q

N

K

E

E

L

L

V

I

E

R

D

Y

N

C

K

Q

R

N

L

Q

G

G

I

I

V

Q

P

M

E

E

A

A

W

W

S
|
S

P
|
P

F
x
L

G

M

R

Q

E

-

I

-

N

G

D

Q

V

L

L

L

E

D

N

H

E

P

T

V

I

L

R

A

G

D

I

I

A

A

Q

Q

K

T

Y

Y

G

N

K

K

S

S

P

V

A

A

Q

Q

I

I

V

L

R

R

W

W

N

D

V

L

Q

Q

N

H

D

G

V

I

L

I

V

T

I

I

P
|
P

K
|
K

S

S

S

T

S

K

P

E

V

H

H

R

Q

I

R

K

E

E

N

N

L

A

D

S

V

V

F

F

D

D

F

F

E

E

L

L

S

T

N

Q

E

D

D

D

V

M

K

N

E

R

I

I

D

D

S

A

L

L

D

N

K

E

active site: D49 (= D47), Y54 (= Y52), K83 (= K77), H116 (= H110)
binding calcium ion: S194 (= S190), P195 (= P191), L196 (≠ F192), P235 (= P233), K236 (= K234)

P51635 Aldo-keto reductase family 1 member A1; 3-DG-reducing enzyme; Alcohol dehydrogenase [NADP(+)]; Aldehyde reductase; Glucuronate reductase; Glucuronolactone reductase; S-nitroso-CoA reductase; ScorR; EC 1.1.1.2; EC 1.1.1.372; EC 1.1.1.54; EC 1.1.1.19; EC 1.1.1.20; EC 1.6.-.- from Rattus norvegicus (Rat) (see paper)
35% identity, 91% coverage: 9:265/283 of query aligns to 8:294/325 of P51635

query
sites
P51635

L

L

N

H

D

T

G

G

T

Q

D
x
K

T

M

P

P

A

L

I

I

G

G

L

L

G

G

T

T

V

W

G
x
K

L

S

K

E

G

P

A

G

R

Q

G

V

V
x
K

G

A

S

A

I

I

V
x
K

T

Y

A

A

I

L

E

S

K

V

N

-

G

G

Y

Y

R

R

L

H

I

I

D

D

T

C

S

A

T

S

N

V

Y

Y

D

G

N

N

E

E

G

T

A

E

V

I

G

G

E

E

A

A

I

L

R
x
K

R

E

T

S

-

V

-

G

-

A

-

G

-
x
K

A

A

V

V

P

P

R

R

E

E

L

L

I

F

I

V

N

T

S

S

K
|
K

L

L

P

W

G

N

A

T

A
x
K

H

H

D

H

Y

P

D

E

Q

D

A

V

I

E

Q

P

M

A

I

V

Q

R

E
x
K

S

T