SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing AO353_19655 FitnessBrowser__pseudo3_N2E3:AO353_19655 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)
41% identity, 96% coverage: 2:256/267 of query aligns to 12:264/275 of A0QV10

query
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K262 (≠ Q254) modified: Isoglutamyl lysine isopeptide (Lys-Gln) (interchain with Q-Cter in protein Pup)

4gieA Crystal structure of prostaglandin f synthase from trypanosoma cruzi bound to NADP (see paper)
36% identity, 99% coverage: 1:265/267 of query aligns to 21:281/288 of 4gieA

query
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active site: D55 (= D34), Y60 (= Y39), K85 (= K64), H118 (= H97)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G29 (= G9), W31 (≠ F11), D55 (= D34), Y60 (= Y39), H118 (= H97), W119 (= W98), N148 (= N130), Q169 (= Q152), W195 (≠ Y178), S196 (≠ M179), P197 (≠ T180), L198 (= L181), S200 (≠ Y183), L207 (= L187), A224 (= A204), I239 (= I219), P240 (= P220), K241 (≠ S221), S242 (= S222), R247 (≠ N227), E250 (≠ S230), N251 (= N231)

4fziA Crystal structure of prostaglandin f synthase from trypanosoma cruzi (see paper)
36% identity, 99% coverage: 1:265/267 of query aligns to 10:270/277 of 4fziA

query
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4fziA

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active site: D44 (= D34), Y49 (= Y39), K74 (= K64), H107 (= H97)
binding glutamic acid: W20 (≠ F11), Y49 (= Y39), H107 (= H97), W184 (≠ Y178)

7s5fB Crystal structure of mannose-6-phosphate reductase from celery (apium graveolens) leaves with NADP+ and mannonic acid bound (see paper)
34% identity, 97% coverage: 1:259/267 of query aligns to 9:299/309 of 7s5fB

query
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7s5fB

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binding d-mannonic acid: W19 (≠ F11), D46 (≠ I38), Y47 (= Y39), W78 (= W66), H107 (= H97)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G17 (= G9), V18 (≠ T10), W19 (≠ F11), D42 (= D34), Y47 (= Y39), N161 (= N130), Q182 (= Q152), H208 (≠ Y178), T209 (≠ M179), P210 (≠ T180), L211 (= L181), G213 (vs. gap), A214 (vs. gap), A244 (= A204), I259 (= I219), K261 (≠ S221), S262 (= S222), S263 (≠ T223), R267 (≠ N227), E270 (≠ S230), N271 (= N231)

3d3fA Crystal structure of yvgn and cofactor NADPH from bacillus subtilis (see paper)
38% identity, 99% coverage: 1:265/267 of query aligns to 14:271/275 of 3d3fA

query
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3d3fA

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S

L

L

R

E

K

R

L

L

Q

Q

T

L

D

D

Y

Y

L

L

D

D

L

L

T

Y

L

L

I

I

H
|
H

W

W

P

P

S

G

P

K

E

D

N

K

Q

-

V

-

P

-

V

Y

H

K

E

D

F

T

M

W

G

R

A

A

L

L

L

E

E

K

A

L

K

Y

A

K

L

D

G

G

L

K

T

I

R

R

Q

A

I

I

G

G

V

V

S
|
S

N
|
N

F

F

T

Q

V

V

D

H

L

H

M

L

Q

E

A

L

I

L

D

K

A

D

V

A

G

E

A

I

D

K

N

P

I

M

A

-

T

V

N

N

Q
|
Q

I

V

E

E

L

F

H

H

P

P

Y

R

L

L

Q

T

N

Q

R

K

T

E

V

L

V

R

E

D

F

Y

A

C

Q

K

S

G

Q

Q

G

G

I

I

Q

Q

I

L

T

E

S

A

Y
x
W

M
x
S

T
x
P

L
|
L

A

M

Y
x
Q

G

G

E

Q

V

L

L
|
L

K

D

D

N

P

E

V

V

I

L

Q

T

Q

Q

I

I

A

A

E

E

R

K

H

H

Q

N

A

K

T

S

P

V

A

A

Q

Q

V

V

T

I

L

L

A

R

W

W

A

D

M

L

Q

Q

Q

H

G

G

Y

V

A

V

V

T

I
|
I

P

P

S
x
K

S
|
S

T

I

Q
x
K

R

E

A

H

N
x
R

L

I

D

I

S
x
E

N
|
N

L

A

A

D

A

I

R

F

E

D

L

F

T

E

L

L

S

S

E

Q

A

E

D

D

M

M

T

D

L

K

I

I

A

D

G

A

L

L

E

N

R

K

G

D

Q

E

R

R

L

V

T

-

S

-

P

-

K

-

G

G

I

P

A

N

P

P

D

D

active site: D48 (= D34), Y53 (= Y39), K78 (= K64), H111 (= H97)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G22 (= G9), F24 (= F11), D48 (= D34), Y53 (= Y39), H111 (= H97), S140 (= S129), N141 (= N130), Q162 (= Q152), W188 (≠ Y178), S189 (≠ M179), P190 (≠ T180), L191 (= L181), Q193 (≠ Y183), L197 (= L187), I229 (= I219), K231 (≠ S221), S232 (= S222), K234 (≠ Q224), R237 (≠ N227), E240 (≠ S230), N241 (= N231)

3wbwA Crystal structure of gox0644 in complex with NADPH
37% identity, 94% coverage: 2:252/267 of query aligns to 13:257/271 of 3wbwA

query
sites
3wbwA

S

T

V

M

P

P

A

Q

F

I

G

G

L

L

G
|
G

T

V

F

W

R

E

L

T

Q

P

G

P

Q

D

V

E

V

T

I

A

D

E

S

V

V

V

S

K

T

E

G

A

L

V

E

K

L

L

G

G

Y

Y

R

R

A

S

I

V

D
|
D

T

T

A

A

Q

R

I

L

Y
|
Y

D

K

N

N

E

E

A

E

D

G

V

V

G

G

Q

K

A

G

I

L

A

E

A

D

S

H

G

-

I

-

A

-

R

-

E

P

E

E

L

I

F

F

I

L

T

T

S

T

K
|
K

I

L

W

W

I

N

A

D

N

E

F

Q

A

G

K

Y

D

D

Q

S

L

T

I

L

A

R

S

A

L

Y

K

E

D

E

S

S

L

A

R

R

K

L

L

L

Q

R

T

R

D

P

Y

V

L

L

D

D

L

L

T

Y

L

L

I

I

H
|
H

W

W

P

P

S

M

P

P

E

A

N

Q

Q

G

V

Q

P

Y

V

V

H

-

E

E

F

T

M

W

G

K

A

A

L

L

L

V

E

E

A

L

K

K

A

K

L

S

G

G

L

R

T

V

R

K

Q

S

I

I

G

G

V

V

S

S

N
|
N

F

F

T

E

V

S

D

E

L

H

M

L

Q

E

Q

R

A

I

I

M

D

D

A

A

V

T

G

G

A

V

D

V

N

P

I

V

A

-

T

V

N

N

Q

Q

I

I

E

E

L

L

H

H

P

P

Y

D

L

F

Q

Q

N

Q

R

R

T

A

V

L

V

R

E

E

F

F

A

H

Q

E

S

K

Q

H

G

N

I

I

Q

R

I

T

T

E

S

S

Y
x
W

M
x
R

T
x
P

L
|
L

A

G

Y

K

G

G

E

R

V

V

L
|
L

K

S

D

D

P

E

V

R

I

I

Q

G

Q

K

I

I

A

A

E

E

R

K

H

H

Q

S

A

R

T

T

P

P

A
|
A

Q

Q

V

V

T

V

L

I

A

R

W

W

A

H

M

L

Q

Q

Q

N

G

G

Y

L

A

I

V

V

I

I

P

P

S
x
K

S
|
S

T
x
V

Q

N

R

P

A

K

N
x
R

L

L

D

A

S
x
E

N
|
N

L

L

A

D

A

V

R

F

E

G

L

F

T

V

L

L

S

D

E

A

A

D

D

D

M

M

T

Q

L

A

I

I

A

E

G

Q

L

M

E

D

R

R

active site: D45 (= D34), Y50 (= Y39), K71 (= K64), H104 (= H97)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G20 (= G9), H104 (= H97), N136 (= N130), W183 (≠ Y178), R184 (≠ M179), P185 (≠ T180), L186 (= L181), L192 (= L187), A209 (= A204), K226 (≠ S221), S227 (= S222), V228 (≠ T223), R232 (≠ N227), E235 (≠ S230), N236 (= N231)

1a80A Native 2,5-diketo-d-gluconic acid reductase a from corynbacterium sp. Complexed with NADPH (see paper)
40% identity, 94% coverage: 2:253/267 of query aligns to 12:263/277 of 1a80A

query
sites
1a80A

S

S

V

I

P

P

A

Q

F

L

G

G

L

Y

G
|
G

T

V

F
|
F

R

K

L

V

Q

P

G

P

Q

A

V

D

V

T

I

Q

D

R

S

A

V

V

S

E

T

E

G

A

L

L

E

E

L

V

G

G

Y

Y

R

R

A

H

I

I

D
|
D

T

T

A

A

Q

A

I

I

Y
|
Y

D

G

N

N

E

E

A

E

D

G

V

V

G

G

Q

A

A

A

I

I

A

A

S

S

G

G

I

I

A

A

R

R

E

D

L

L

F

F

I

I

T

T

S

T

K
|
K

I

L

W

W

I

N

A

D

N

R

F

H

A

D

K

G

D

D

Q

E

L

P

I

A

A

A

S

A

L

I

K

A

D

E

S

S

L

L

R

A

K

K

L

L

Q

A

T

L

D

D

Y

Q

L

V

D

D

L

L

T

Y

L

L

I

V

H
|
H

W

W

P

P

S

T

P

P

E

A

N

A

Q

D

V

N

P

Y

V

V

H

H

E

A

F

W

M

E

G

-

A

K

L

M

L

I

E

E

A

L

K

R

A

A

L

A

G

G

L

L

T

T

R

R

Q

S

I

I

G

G

V

V

S
|
S

N

N

F

H

T

L

V

V

D

P

L

H

M

L

Q

E

Q

R

A

I

I

V

D

A

A

A

V

T

G

G

A

V

D

-

N

V

I

P

A

A

T

V

N

N

Q
|
Q

I

I

E

E

L

L

H

H

P

P

Y

A

L

Y

Q

Q

N

Q

R

R

T

E

V

I

V

T

E

D

F

W

A

A

Q

A

S

A

Q

H

G

D

I

V

Q

K

I

I

T

E

S

S

Y
x
W

M
x
G

T
x
P

L
|
L

A

G

Y
x
Q

G

G

-

K

-

Y

E

D

V

L

L

F

K

G

D

A

P

E

V

P

I

V

Q

T

Q

A

I

A

A

A

E

A

R

A

H

H

Q

G

A

K

T

T

P

P

A
|
A

Q

Q

V

A

T

V

L

L

A

R

W

W

A

H

M

L

Q

Q

Q

K

G

G

Y

F

A

V

V

V

I
x
F

P

P

S
x
K

S
|
S

T
x
V

Q
x
R

R

R

A

E

N
x
R

L

L

D

E

S
x
E

N
|
N

L

L

A

D

A

V

R

F

E

D

L

F

T

D

L

L

S

T

E

D

A

T

D

E

M

I

T

A

L

A

I

I

A

D

G

A

L

M

E

D

R

P

G

G

active site: D44 (= D34), Y49 (= Y39), K74 (= K64), H107 (= H97)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G19 (= G9), F21 (= F11), D44 (= D34), Y49 (= Y39), H107 (= H97), S138 (= S129), Q160 (= Q152), W186 (≠ Y178), G187 (≠ M179), P188 (≠ T180), L189 (= L181), Q191 (≠ Y183), A214 (= A204), F229 (≠ I219), K231 (≠ S221), S232 (= S222), V233 (≠ T223), R234 (≠ Q224), R237 (≠ N227), E240 (≠ S230), N241 (= N231)

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, 94% coverage: 2:253/267 of query aligns to 13:264/278 of P06632

query
sites
P06632

S

S

V

I

P

P

A

Q

F

L

G

G

L

Y

G

G

T

V

F

F

R

K

L

V

Q

P

G

P

Q

A

V

D

V

T

I

Q

D

R

S

A

V

V

S

E

T

E

G

A

L

L

E

E

L

V

G

G

Y

Y

R

R

A

H

I

I

D

D

T

T

A

A

Q

A

I

I

Y
|
Y

D

G

N

N

E

E

A

E

D

G

V

V

G

G

Q

A

A

A

I

I

A

A

S

S

G

G

I

I

A

A

R

R

E

D

L

L

F

F

I

I

T

T

S

T

K

K

I

L

W

W

I

N

A

D

N

R

F

H

A

D

K

G

D

D

Q

E

L

P

I

A

A

A

S

A

L

I

K

A

D

E

S

S

L

L

R

A

K

K

L

L

Q

A

T

L

D

D

Y

Q

L

V

D

D

L

L

T

Y

L

L

I

V

H
|
H

W

W

P

P

S

T

P

P

E

A

N

A

Q

D

V

N

P

Y

V

V

H

H

E

A

F

W

M

E

G

-

A

K

L

M

L

I

E

E

A

L

K

R

A

A

L

A

G

G

L

L

T

T

R

R

Q

S

I

I

G

G

V

V

S

S

N

N

F

H

T

L

V

V

D

P

L

H

M

L

Q

E

Q

R

A

I

I

V

D

A

A

A

V

T

G

G

A

V

D

-

N

V

I

P

A

A

T

V

N

N

Q

Q

I

I

E

E

L

L

H

H

P

P

Y

A

L

Y

Q

Q

N

Q

R

R

T

E

V

I

V

T

E

D

F

W

A

A

Q

A

S

A

Q

H

G

D

I

V

Q

K

I

I

T

E

S

S

Y

W

M
x
G

T
x
P

L
|
L

A
x
G

Y
x
Q

G
|
G

-
x
K

-
x
Y

E
x
D

V
x
L

L
x
F

K
x
G

D
x
A

P
x
E

V
x
P

I
x
V

Q
x
T

Q
x
A

I
x
A

A
|
A

E
x
A

R
x
A

H
|
H

Q
x
G

A
x
K

T
|
T

P
|
P

A
|
A

Q
|
Q

V
x
A

T
x
V

L
|
L

A
x
R

W
|
W

A
x
H

M
x
L

Q
|
Q

Q
x
K

G
|
G

Y
x
F

A
x
V

V
|
V

I
x
F

P
|
P

S
x
K

S
|
S

T
x
V

Q
x
R

R
|
R

A
x
E

N
x
R

L
|
L

D
x
E

S
x
E

N
|
N

L

L

A

D

A

V

R

F

E

D

L

F

T

D

L

L

S

T

E

D

A

T

D

E

M

I

T

A

L

A

I

I

A

D

G

A

L

M

E

D

R

P

G

G

Y50 (= Y39) active site, Proton donor
H108 (= H97) binding
188:242 (vs. 179:231, 33% identical) binding

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

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)
39% identity, 94% coverage: 2:253/267 of query aligns to 12:263/277 of 1m9hA

query
sites
1m9hA

S

S

V

I

P

P

A

Q

F

L

G

G

L

Y

G
|
G

T

V

F
x
Y

R

K

L

V

Q

P

G

P

Q

A

V

D

V

T

I

Q

D

R

S

A

V

V

S

E

T

E

G

A

L

L

E

E

L

V

G

G

Y

Y

R

R

A

H

I

I

D
|
D

T

T

A

A

Q

A

I

I

Y
|
Y

D

G

N

N

E

E

A

E

D

G

V

V

G

G

Q

A

A

A

I

I

A

A

S

S

G

G

I

I

A

A

R

R

E

D

L

L

F

F

I

I

T

T

S

T

K
|
K

I

L

W

W

I

N

A

D

N

R

F

H

A

D

K

G

D

D

Q

E

L

P

I

A

A

A

S

A

L

I

K

A

D

E

S

S

L

L

R

A

K

K

L

L

Q

A

T

L

D

D

Y

Q

L

V

D

D

L

L

T

Y

L

L

I

V

H
|
H

W

W

P

P

S

T

P

P

E

A

N

A

Q

D

V

N

P

Y

V

V

H

H

E

A

F

W

M

E

G

-

A

K

L

M

L

I

E

E

A

L

K

R

A

A

L

A

G

G

L

L

T

T

R

R

Q

S

I

I

G

G

V

V

S

S

N

N

F

H

T

L

V

V

D

P

L

H

M

L

Q

E

Q

R

A

I

I

V

D

A

A

A

V

T

G

G

A

V

D

-

N

V

I

P

A

A

T

V

N

N

Q
|
Q

I

I

E

E

L

L

H

H

P

P

Y

A

L

Y

Q

Q

N

Q

R

R

T

E

V

I

V

T

E

D

F

W

A

A

Q

A

S

A

Q

H

G

D

I

V

Q

K

I

I

T

E

S

S

Y
x
W

M
x
G

T
x
P

L
|
L

A

G

Y
x
Q

G

G

-

K

-

Y

E

D

V

L

L

F

K

G

D

A

P

E

V

P

I

V

Q

T

Q

A

I

A

A

A

E

A

R

A

H

H

Q

G

A

K

T

T

P

P

A
|
A

Q

Q

V

A

T

V

L

L

A

R

W

W

A

H

M

L

Q

Q

Q

K

G

G

Y

F

A

V

V

V

I
x
F

P
|
P

S
x
G

S

S

T

V

Q

R

R

R

A

E

N
x
H

L

L

D

E

S

E

N
|
N

L

L

A

D

A

V

R

F

E

D

L

F

T

D

L

L

S

T

E

D

A

T

D

E

M

I

T

A

L

A

I

I

A

D

G

A

L

M

E

D

R

P

G

G

active site: D44 (= D34), Y49 (= Y39), K74 (= K64), H107 (= H97)
binding nicotinamide-adenine-dinucleotide: G19 (= G9), Y21 (≠ F11), Y49 (= Y39), H107 (= H97), Q160 (= Q152), W186 (≠ Y178), G187 (≠ M179), P188 (≠ T180), L189 (= L181), Q191 (≠ Y183), A214 (= A204), F229 (≠ I219), P230 (= P220), G231 (≠ S221), H237 (≠ N227), N241 (= N231)

2vdgA Barley aldose reductase 1 complex with butanol (see paper)
35% identity, 96% coverage: 2:256/267 of query aligns to 11:282/308 of 2vdgA

query
sites
2vdgA

S

A

V

M

P

P

A

A

F

V

G

G

L

L

G
|
G

T
|
T

F
x
W

R

R

L

-

Q

A

G

G

Q

S

V

D

V

T

I

A

D

H

S

S

V

V

S

R

T

T

G

A

L

I

-

T

E

E

L

A

G

G

Y

Y

R

R

A

H

I

V

D
|
D

T

T

A

A

Q

A

I
x
E

Y
|
Y

D

G

N

V

E

E

A

K

D

E

V

V

G

G

Q

K

A

G

I

L

A

K

A

A

S

A

-

M

-

E

-

A

G

G

I

I

A

D

R

R

E

K

E

D

L

L

F

F

I

V

T

T

S

S

K
|
K

I

I

W

W

I

C

A

T

N

N

F

L

A

A

K

P

D

E

Q

R

L

V

I

R

A

P

S

A

L

L

K

E

D

N

S

T

L

L

R

K

K

D

L

L

Q

Q

T

L

D

D

Y

Y

L

I

D

D

L

L

T

Y

L

H

I

I

H
|
H

W

W

P

P

-

F

-

R

-

L

-

K

-

D

-

G

-

A

-

H

-

M

S

P

P

P

E
|
E

-
x
A

N

G

Q

E

V

V

P

L

V

E

H

F

E

D

F

M

M

E

G

G

A

V

L

W

L

K

E

E

A

M

K

E

A

N

L

L

-

V

-

K

-

D

G

G

L

L

T

V

R

K

Q

D

I

I

G

G

V

V

S
x
C

N
|
N

F

Y

T

T

V

V

D

T

L

K

M

L

Q

N

Q

R

A

L

I

L

D

R

A

S

V

A

G

K

A

I

D

P

N

P

I

-

A

A

T

V

N

C

Q
|
Q

I

M

E

E

L

M

H

H

P

P

Y

G

L

W

Q

K

N

N

R

D

T

K

V

I

V

F

E

E

F

A

A

C

Q

K

S

K

Q

H

G

G

I

I

Q

H

I

I

T

T

S

A

Y
|
Y

M
x
S

T
x
P

L
|
L

A

G

Y
x
S

G
x
S

E

E

-

K

-
x
N

V

L

L

A

K

H

D

D

P

P

V

V

I

V

Q

E

Q

K

I

V

A

A

E

N

R

K

H

L

Q

N

A

K

T

T

P

P

A

G

Q

Q

V

V

T

L

L

I

A

K

W

W

A

A

M

L

Q

Q

Q

R

G

G

Y

T

A

S

V

V

I
|
I

P
|
P

S
x
K

S
|
S

T
x
S

Q
x
K

R

D

A

E

N
x
R

L

I

D

K

S
x
E

N
|
N

L

I

A

Q

A

V

R

F

E

G

L

W

T

E

L

I

S

P

E

E

A

E

D

D

M

F

T

K

L

V

I

L

A

C

G

S

L

I

E

K

R

D

G

E

Q

K

R

R

L

V

active site: D43 (= D34), Y48 (= Y39), K76 (= K64), H109 (= H97)
binding 1-butanol: E47 (≠ I38), E123 (= E102), A124 (vs. gap)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G18 (= G9), T19 (= T10), W20 (≠ F11), D43 (= D34), Y48 (= Y39), K76 (= K64), H109 (= H97), C154 (≠ S129), N155 (= N130), Q176 (= Q152), Y202 (= Y178), S203 (≠ M179), P204 (≠ T180), L205 (= L181), S207 (≠ Y183), S208 (≠ G184), N211 (vs. gap), I245 (= I219), P246 (= P220), K247 (≠ S221), S248 (= S222), S249 (≠ T223), K250 (≠ Q224), R253 (≠ N227), E256 (≠ S230), N257 (= N231)

Sites not aligning to the query:

2bgsA Holo aldose reductase from barley (see paper)
35% identity, 96% coverage: 2:256/267 of query aligns to 11:282/308 of 2bgsA

query
sites
2bgsA

S

A

V

M

P

P

A

A

F

V

G

G

L

L

G
|
G

T
|
T

F
x
W

R

R

L

-

Q

A

G

G

Q

S

V

D

V

T

I

A

D

H

S

S

V

V

S

R

T

T

G

A

L

I

-

T

E

E

L

A

G

G

Y

Y

R

R

A

H

I

V

D
|
D

T

T

A

A

Q

A

I

E

Y
|
Y

D

G

N

V

E

E

A

K

D

E

V

V

G

G

Q

K

A

G

I

L

A

K

A

A

S

A

-

M

-

E

-

A

G

G

I

I

A

D

R

R

E

K

E

D

L

L

F

F

I

V

T

T

S

S

K
|
K

I

I

W

W

I

C

A

T

N

N

F

L

A

A

K

P

D

E

Q

R

L

V

I

R

A

P

S

A

L

L

K

E

D

N

S

T

L

L

R

K

K

D

L

L

Q

Q

T

L

D

D

Y

Y

L

I

D

D

L

L

T

Y

L

H

I

I

H
|
H

W

W

P

P

-

F

-

R

-

L

-

K

-

D

-

G

-

A

-

H

-

M

S

P

P

P

E

E

-

A

N

G

Q

E

V

V

P

L

V

E

H

F

E

D

F

M

M

E

G

G

A

V

L

W

L

K

E

E

A

M

K

E

A

N

L

L

-

V

-

K

-

D

G

G

L

L

T

V

R

K

Q

D

I

I

G

G

V

V

S
x
C

N
|
N

F

Y

T

T

V

V

D

T

L

K

M

L

Q

N

Q

R

A

L

I

L

D

R

A

S

V

A

G

K

A

I

D

P

N

P

I

-

A

A

T

V

N

C

Q
|
Q

I

M

E

E

L

M

H

H

P

P

Y

G

L

W

Q

K

N

N

R

D

T

K

V

I

V

F

E

E

F

A

A

C

Q

K

S

K

Q

H

G

G

I

I

Q

H

I

I

T

T

S

A

Y
|
Y

M
x
S

T
x
P

L
|
L

A

G

Y
x
S

G

S

E

E

-

K

-

N

V

L

L

A

K

H

D

D

P

P

V

V

I

V

Q

E

Q

K

I

V

A

A

E

N

R

K

H

L

Q

N

A

K

T

T

P

P

A

G

Q

Q

V

V

T

L

L

I

A

K

W

W

A

A

M

L

Q

Q

Q

R

G

G

Y

T

A

S

V

V

I
|
I

P
|
P

S
x
K

S
|
S

T

S

Q
x
K

R

D

A

E

N
x
R

L

I

D

K

S
x
E

N
|
N

L

I

A

Q

A

V

R

F

E

G

L

W

T

E

L

I

S

P

E

E

A

E

D

D

M

F

T

K

L

V

I

L

A

C

G

S

L

I

E

K

R

D

G

E

Q

K

R

R

L

V

active site: D43 (= D34), Y48 (= Y39), K76 (= K64), H109 (= H97)
binding bicarbonate ion: W20 (≠ F11), Y48 (= Y39), H109 (= H97)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G18 (= G9), T19 (= T10), W20 (≠ F11), D43 (= D34), Y48 (= Y39), C154 (≠ S129), N155 (= N130), Q176 (= Q152), Y202 (= Y178), S203 (≠ M179), P204 (≠ T180), L205 (= L181), S207 (≠ Y183), I245 (= I219), P246 (= P220), K247 (≠ S221), S248 (= S222), K250 (≠ Q224), R253 (≠ N227), E256 (≠ S230), N257 (= N231)

Sites not aligning to the query:

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: 283

Q0PGJ6 NADPH-dependent aldo-keto reductase, chloroplastic; AtChlAKR; Aldo-keto reductase family 4 member C9; EC 1.1.1.- from Arabidopsis thaliana (Mouse-ear cress) (see paper)
33% identity, 95% coverage: 4:257/267 of query aligns to 17:292/315 of Q0PGJ6

query
sites
Q0PGJ6

P

P

A

S

F

V

G

G

L

L

G

G

T
|
T

F
x
W

R

Q

L

A

Q

S

G

P

Q

G

V

L

V

V

I

G

D

D

S

A

V

V

S

A

T

A

G

A

L

V

E

K

L

I

G

G

Y

Y

R

R

A

H

I

I

D
|
D

T

C

A

A

Q

Q

I

I

Y

Y

D

G

N

N

E

E

A

K

D

E

V

I

G

G

Q

A

A

V

I

L

A

K

-

L

-

F

-

E

-

D

S

R

G

V

I

V

A

K

R

R

E

E

E

D

L

L

F

F

I

I

T

T

S

S

K

K

I

L

W

W

I

C

A

T

N

D

F

H

A

D

K

P

D

Q

Q

D

L

V

I

P

A

E

S

A

L

L

K

N

D

R

S

T

L

L

R

K

K

D

L

L

Q

Q

T

L

D

E

Y

Y

L

V

D

D

L

L

T

Y

L

L

I

I

H

H

W

W

P

P

S

A

-

R

-

I

-

K

-

G

-

S

-

V

-

G

-

I

-

K

P

P

E

E

N

N

Q

L

V

L

P

P

V

V

H

D

-

I

-

P

-

S

-

T

-

W

E

K

F

A

M

M

G

E

A

A

L

L

L

Y

E

D

A

S

K

-

A

-

L

-

G

G

L

K

T

A

R

R

Q

A

I

I

G

G

V

V

S
|
S

N
|
N

F

F

T

S

V

T

D

K

L

K

M

L

Q

A

Q

D

A

L

I

L

D

E

A

L

V

A

G

R

A

V

D

P

N

P

I

-

A

A

T

V

N

N

Q
|
Q

I

V

E

E

L

C

H

H

P

P

Y

S

L

W

Q

R

N

Q

R

T

T

K

V

L

V

Q

E

E

F

F

A

C

Q

K

S

S

Q

K

G

G

I

V

Q

H

I

L

T

S

S

A

Y

Y

M
x
S

T
x
P

L
|
L

A
x
G

-
x
S

-
x
P

-
x
G

-

T

-

W

-

L

Y

K

G

S

E

D

V

V

L

L

K

K

D

N

P

P

V

I

I

L

Q

N

Q

M

I

V

A

A

E

E

R

K

H

L

Q

G

A

K

T

S

P

P

A

A

Q

Q

V

V

T

A

L

L

A

R

W

W

A

G

M

L

Q

Q

Q

M

G

G

Y

H

A

S

V

V

I

L

P

P

S
x
K

S
|
S

T
|
T

Q

N

R

E

A

G

N
x
R

L
x
I

D
x
K

S
x
E

N
|
N

L

F

A

N

A

V

R

F

E

D

L

W

T

S

L

I

S

P

E

D

A

Y

D

M

M

F

T

A

L

K

I

F

A

A

G

E

L

I

E

E

R

Q

G

A

Q

R

R

L

L

V

T

T

TW 23:24 (≠ TF 10:11) binding
D47 (= D34) binding
SN 158:159 (= SN 129:130) binding
Q180 (= Q152) binding
207:213 (vs. 179:182, 14% identical) binding
KST 256:258 (≠ SST 221:223) binding
RIKEN 262:266 (≠ NLDSN 227:231) binding

3h7uA Crystal structure of the plant stress-response enzyme akr4c9 (see paper)
33% identity, 95% coverage: 4:257/267 of query aligns to 14:289/312 of 3h7uA

query
sites
3h7uA

P

P

A

S

F

V

G

G

L

L

G
|
G

T
|
T

F
x
W

R

Q

L

A

Q
x
S

G

P

Q

G

V

L

V

V

I

G

D

D

S

A

V

V

S

A

T

A

G

A

L

V

E

K

L

I

G

G

Y

Y

R

R

A

H

I

I

D
|
D

T

C

A

A

Q

Q

I

I

Y
|
Y

D

G

N

N

E

E

A

K

D

E

V

I

G

G

Q

A

A

V

I

L

A

K

-

L

-

F

-

E

-

D

S

R

G

V

I

V

A

K

R

R

E

E

E

D

L

L

F

F

I

I

T

T

S

S

K
|
K

I

L

W

W

I

C

A

T

N

D

F

H

A

D

K

P

D

Q

Q

D

L

V

I

P

A

E

S

A

L

L

K

N

D

R

S

T

L

L

R

K

K

D

L

L

Q

Q

T

L

D

E

Y

Y

L

V

D

D

L

L

T

Y

L

L

I

I

H
|
H

W
|
W

P

P

S

A

-

R

-

I

-

K

-

G

-

S

-

V

-

G

-

I

-

K

P

P

E

E

N

N

Q

L

V

L

P

P

V

V

H

D

-

I

-

P

-

S

-

T

-

W

E

K

F

A

M

M

G

E

A

A

L

L

L

Y

E

D

A

S

K

-

A

-

L

-

G

G

L

K

T

A

R

R

Q

A

I

I

G

G

V

V

S

S

N
|
N

F

F

T

S

V

T

D

K

L

K

M

L

Q

A

Q

D

A

L

I

L

D

E

A

L

V

A

G

R

A

V

D

P

N

P

I

-

A

A

T

V

N

N

Q
|
Q

I

V

E

E

L

C

H

H

P

P

Y

S

L

W

Q

R

N

Q

R

T

T

K

V

L

V

Q

E

E

F

F

A

C

Q

K

S

S

Q

K

G

G

I

V

Q

H

I

L

T

S

S

A

Y
|
Y

M
x
S

T
x
P

L
|
L

A

G

-
x
S

-
x
P

-
x
G

-

T

-

W

-

L

Y

K

G

S

E

D

V

V

L

L

K

K

D

N

P

P

V

I

I

L

Q

N

Q

M

I

V

A

A

E

E

R

K

H

L

Q

G

A

K

T

S

P

P

A
|
A

Q

Q

V

V

T

A

L

L

A

R

W

W

A

G

M

L

Q

Q

Q

M

G

G

Y

H

A

S

V

V

I
x
L

P
|
P

S
x
K

S
|
S

T

T

Q

N

R

E

A

G

N
x
R

L

I

D

K

S
x
E

N
|
N

L

F

A

N

A

V

R

F

E

D

L

W

T

S

L

I

S

P

E

D

A

Y

D

M

M

F

T

A

L

K

I

F

A

A

G

E

L

I

E

E

R

Q

G

A

Q

R

R

L

L

V

T

T

active site: S24 (≠ Q14), D44 (= D34), Y49 (= Y39), K78 (= K64), H111 (= H97)
binding acetate ion: W21 (≠ F11), Y49 (= Y39), H111 (= H97)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G19 (= G9), T20 (= T10), W21 (≠ F11), D44 (= D34), Y49 (= Y39), H111 (= H97), W112 (= W98), N156 (= N130), Q177 (= Q152), Y203 (= Y178), S204 (≠ M179), P205 (≠ T180), L206 (= L181), S208 (vs. gap), P209 (vs. gap), G210 (vs. gap), A236 (= A204), L251 (≠ I219), P252 (= P220), K253 (≠ S221), S254 (= S222), R259 (≠ N227), E262 (≠ S230), N263 (= N231)

Q9GV41 9,11-endoperoxide prostaglandin H2 reductase; Prostaglandin F2-alpha synthase; EC 1.1.1.- from Trypanosoma brucei brucei
33% identity, 95% coverage: 3:255/267 of query aligns to 15:264/276 of Q9GV41

query
sites
Q9GV41

V

M

P

P

A

V

F

L

G

G

L

F

G

G

T
x
M

F
x
W

R

K

L

L

Q

Q

-

D

G

G

Q

N

V

E

V

A

I

E

D

T

S

A

V

T

S

M

T

W

G

A

L

I

E

K

L

S

G

G

Y

Y

R

R

A

H

I

I

D
|
D

T

T

A

A

Q

A

I

I

Y

Y

D

K

N

N

E

E

A

E

D

S

V

A

G

G

Q

R

A

A

I

I

A

A

A

S

S

C

G

G

I

V

A

P

R

R

E

E

L

L

F

F

I

V

T

T

S

T

K

K

I

L

W

W

I

N

A

S

N

D

F

Q

A

G

K

Y

D

E

Q

S

L

T

I

L

A

S

S

A

L

F

K

E

D

K

S

S

L

I

R

K

K

K

L

L

Q

G

T

L

D

E

Y

Y

L

V

D

D

L

L

T

Y

L

L

I

I

H

H

W

W

P

P

S

G

P

K

E

D

N

K

Q

F

V

I

P

D

V

T

H

W

E

K

F

A

M

F

G

E

A

K

L

L

L

Y

E

A

A

D

K

K

A

K

L

V

G

-

L

-

T

-

R

R

Q

A

I

I

G

G

V

V

S
|
S

N
|
N

F

F

T

H

V

E

D

H

L

H

M

I

Q

E

A

L

I

L

D

K

A

H

V

C

G

K

A

V

D

A

N

P

I

M

A

-

T

V

N

N

Q
|
Q

I

I

E

E

L

L

H

H

P

P

Y

L

L

L

Q

N

N

Q

R

K

T

A

V

L

V

C

E

E

F

Y

A

C

Q

K

S

S

Q

K

G

N

I

I

Q

A

I

V

T

T

S

A

Y
x
W

M
x
S

T
x
P

L
|
L

A
x
G

Y
x
Q

G

G

E

H

V

L

L

V

K

E

D

D

P

A

V

R

I

L

Q

K

Q

A

I

I

A

G

E

G

R

K

H

Y

Q

G

A

K

T

T

P

A

A

A

Q

Q

V

V

T

M

L

L

A

R

W

W

A

E

M

I

Q

Q

Q

A

G

G

Y

V

A

I

V

T

I

I

P

P

S
x
K

S
|
S

T
x
G

Q

N

R

E

A

A

N
x
R

L
x
I

D
x
K

S
x
E

N
|
N

L

G

A

N

A

I

R

F

E

D

L

F

T

E

L

L

S

T

E

A

A

E

D

D

M

I

T

Q

L

V

I

I

A

D

G

G

L

M

E

N

R

A

G

G

Q

H

R

R

MW 22:23 (≠ TF 10:11) binding
D47 (= D34) binding
SN 139:140 (= SN 129:130) binding
Q161 (= Q152) binding
WSPLGQ 187:192 (≠ YMTLAY 178:183) binding
KSG 230:232 (≠ SST 221:223) binding
RIKEN 236:240 (≠ NLDSN 227:231) binding

1vbjA The crystal structure of prostaglandin f synthase from trypanosoma brucei
33% identity, 95% coverage: 3:255/267 of query aligns to 20:269/281 of 1vbjA

query
sites
1vbjA

V

M

P

P

A

V

F

L

G

G

L

F

G
|
G

T
x
M

F
x
W

R

K

L

L

Q

Q

-

D

G

G

Q

N

V

E

V

A

I

E

D

T

S

A

V

T

S

M

T

W

G

A

L

I

E

K

L

S

G

G

Y

Y

R

R

A

H

I

I

D
|
D

T

T

A

A

Q

A

I

I

Y
|
Y

D

K

N

N

E

E

A

E

D

S

V

A

G

G

Q

R

A

A

I

I

A

A

A

S

S

C

G

G

I

V

A

P

R

R

E

E

L

L

F

F

I

V

T

T

S

T

K
|
K

I

L

W

W

I

N

A

S

N

D

F

Q

A

G

K

Y

D

E

Q

S

L

T

I

L

A

S

S

A

L

F

K

E

D

K

S

S

L

I

R

K

K

K

L

L

Q

G

T

L

D

E

Y

Y

L

V

D

D

L

L

T

Y

L

L

I

I

H
|
H

W

W

P

P

S

G

P

K

E

D

N

K

Q

F

V

I

P

D

V

T

H

W

E

K

F

A

M

F

G

E

A

K

L

L

L

Y

E

A

A

D

K

K

A

K

L

V

G

-

L

-

T

-

R

R

Q

A

I

I

G

G

V

V

S

S

N
|
N

F

F

T

H

V

E

D

H

L

H

M

I

Q

E

A

L

I

L

D

K

A

H

V

C

G

K

A

V

D

A

N

P

I

M

A

-

T

V

N

N

Q
|
Q

I

I

E

E

L

L

H

H

P

P

Y

L

L

L

Q

N

N

Q

R

K

T

A

V

L

V

C

E

E

F

Y

A

C

Q

K

S

S

Q

K

G

N

I

I

Q

A

I

V

T

T

S

A

Y
x
W

M
x
S

T
x
P

L
|
L

A

G

Y
x
Q

G
|
G

E

H

V

L

L
x
V

K

E

D

D

P

A

V

R

I

L

Q

K

Q

A

I

I

A

G

E

G

R

K

H

Y

Q

G

A

K

T

T

P

A

A
|
A

Q

Q

V

V

T

M

L

L

A

R

W

W

A

E

M

I

Q

Q

Q

A

G

G

Y

V

A

I

V

T

I
|
I

P

P

S
x
K

S
|
S

T
x
G

Q

N

R

E

A

A

N
x
R

L

I

D

K

S
x
E

N
|
N

L

G

A

N

A

I

R

F

E

D

L

F

T

E

L

L

S

T

E

A

A

E

D

D

M

I

T

Q

L

V

I

I

A

D

G

G

L

M

E

N

R

A

G

G

Q

H

R

R

active site: D52 (= D34), Y57 (= Y39), K82 (= K64), H115 (= H97)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G26 (= G9), M27 (≠ T10), W28 (≠ F11), D52 (= D34), Y57 (= Y39), H115 (= H97), N145 (= N130), Q166 (= Q152), W192 (≠ Y178), S193 (≠ M179), P194 (≠ T180), L195 (= L181), Q197 (≠ Y183), G198 (= G184), V201 (≠ L187), A218 (= A204), I233 (= I219), K235 (≠ S221), S236 (= S222), G237 (≠ T223), R241 (≠ N227), E244 (≠ S230), N245 (= N231)

1vp5A Crystal structure of 2,5-diketo-d-gluconic acid reductase (tm1009) from thermotoga maritima at 2.40 a resolution
36% identity, 95% coverage: 1:254/267 of query aligns to 11:265/284 of 1vp5A

query
sites
1vp5A

M

V

S

E

V

M

P

P

A

I

F

L

G

G

L

Y

G
|
G

T
x
V

F
|
F

R

Q

L

I

Q

P

G

P

Q

E

V

K

V

T

I

E

D

E

S

C

V

V

S

Y

T

E

G

A

L

I

E

K

L

V

G

G

Y

Y

R

R

A

L

I

I

D
|
D

T

T

A

A

Q

A

I

S

Y
|
Y

D

M

N

N

E

E

A

E

D

G

V

V

G

G

Q

R

A

A

I

I

A

K

A

R

S

A

-

I

-

D

-

E

G

G

I

I

A

V

R

R

-

R

E

E

L

L

F

F

I

V

T

T

S

T

K
|
K

I

L

W

W

I

V

A

S

N

D

F

V

A

G

K

Y

D

E

Q

S

L

T

I

K

A

K

S

A

L

F

K

E

D

K

S

S

L

L

R

K

K

K

L

L

Q

Q

T

L

D

E

Y

Y

L

I

D

D

L

L

T

Y

L

L

I

I

H
|
H

W

Q

P

P

S

F

P

G

E

D

N

-

Q

-

V

-

P

-

V

V

H

H

E

C

F

A

M

W

G

K

A

A

L

M

L

E

E

E

A

M

K

Y

A

K

L

D

G

G

L

L

T

V

R

R

Q

A

I

I

G

G

V

V

S

S

N
|
N

F

F

T

Y

V

P

D

D

L

R

M

L

Q

-

A

-

I

M

D

D

A

L

V

M

G

V

A

H

D

H

N

E

I

I

-

V

-

P

A

A

T

V

N

N

Q
|
Q

I

I

E

E

L

I

H

H

P

P

Y

F

L

Y

Q

Q

N

R

R

Q

T

E

V

E

V

I

E

E

F

F

A

M

Q

R

S

N

Q

Y

G

N

I

I

Q

Q

I

P

T

E

S

A

Y
x
W

M
x
G

T
x
P

L
x
F

A

A

Y
x
E

G

G

E

R

-

K

-

N

V

I

L
x
F

K

Q

D

N

P

G

V

V

I

L

Q

R

Q

S

I

I

A

A

E

E

R

K

H

Y

Q

G

A

K

T

T

P

V

A
|
A

Q

Q

V

V

T

I

L

L

A

R

W

W

A

L

M

T

Q

Q

Q

K

G

G

Y

I

A

V

V

A

I
|
I

P

P

S
x
K

S
x
T

T
x
V

Q

R

R

R

A

E

N
x
R

L

M

D

K

S
x
E

N
|
N

L

I

A

S

A

I

R

F

E

D

L

F

T

E

L

L

S

T

E

Q

A

E

D

D

M

M

T

E

L

K

I

I

A

A

G

T

L

L

E

D

R

E

G

G

Q

Q

active site: D44 (= D34), Y49 (= Y39), K78 (= K64), H111 (= H97)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G19 (= G9), V20 (≠ T10), F21 (= F11), D44 (= D34), Y49 (= Y39), N140 (= N130), Q161 (= Q152), W187 (≠ Y178), G188 (≠ M179), P189 (≠ T180), F190 (≠ L181), E192 (≠ Y183), F198 (≠ L187), A215 (= A204), I230 (= I219), K232 (≠ S221), T233 (≠ S222), V234 (≠ T223), R238 (≠ N227), E241 (≠ S230), N242 (= N231)

3b3dA B.Subtilis ytbe (see paper)
37% identity, 99% coverage: 1:265/267 of query aligns to 15:276/280 of 3b3dA

query
sites
3b3dA

M

V

S

E

V

M

P

P

A

W

F

F

G

G

L

L

G

G

T

V

F

F

R

Q

L

V

Q

E

-

E

G

G

Q

S

V

E

V

L

I

V

D

N

S

A

V

V

S

K

T

T

G

A

L

I

E

V

L

H

G

G

Y

Y

R

R

A

S

I

I

D
|
D

T

T

A

A

Q

A

I

I

Y
|
Y

D

G

N

N

E

E

A

A

D

G

V

V

G

G

Q

E

A

G

I

I

-

R

-

E

-

G

-

I

A

E

S

A

G

G

I

I

A

S

R

R

E

E

E

D

L

L

F

F

I

I

T

T

S

S

K
|
K

I

V

W

W

I

N

A

A

N

D

F

L

A

G

K

Y

D

E

Q

E

L

T

I

L

A

A

S

A

L

F

K

E

D

T

S

S

L

L

R

S

K

K

L

L

Q

G

T

L

D

D

Y

Y

L

L

D

D

L

L

T

Y

L

L

I

I

H
|
H

W

W

P

P

S

V

P

-

E

-

N

-

Q

E

V

G

P

K

V

Y

H

K

E

E

F

A

M

W

G

R

A

A

L

L

L

E

E

T

A

L

K

Y

A

K

L

E

G

G

L

R

T

I

R

K

Q

A

I

I

G

G

V

V

S

S

N

N

F

F

T

Q

V

I

D

H

L

H

M

L

Q

E

Q

D

A

L

I

M

D

T

A

A

V

A

G

E

A

I

D

K

N

P

I

M

A

-

T

I

N

N

Q

Q

I

V

E

E

L

F

H

H

P

P

Y

R

L

L

Q

T

N

Q

R

K

T

E

V

L

V

I

E

R

F

Y

A

C

Q

Q

S

N

Q

Q

G

G

I

I

Q

Q

I

M

T

E

S

A

Y

W

M
x
S

T
x
P

L
|
L

A

M

Y

Q

G

G

E

Q

V

L

L

L

K

D

D

H

P

P

V

V

I

L

Q

A

Q

D

I

I

A

A

E

Q

R

T

H

Y

Q

N

A

K

T

S

P

V

A

A

Q

Q

V

I

T

I

L

L

A

R

W

W

A

D

M

L

Q

Q

Q

H

G

G

Y

I

A

I

V

T

I

I

P
|
P

S
x
K

S

S

T

T

Q

K

R

E

A

H

N

R

L

I

D

K

S

E

N

N

L

A

A

S

A

V

R

F

E

D

L

F

T

E

L

L

S

T

E

Q

A

D

D

D

M

M

T

N

L

R

I

I

A

D

G

A

L

L

E

N

R

E

G

N

Q

L

R

R

L

V

T

-

S

-

P

-

K

-

G

G

I

P

A

D

P

P

D

D

active site: D49 (= D34), Y54 (= Y39), K83 (= K64), H116 (= H97)
binding calcium ion: S194 (≠ M179), P195 (≠ T180), L196 (= L181), P235 (= P220), K236 (≠ S221)

2wzmA Crystal structure of a mycobacterium aldo-keto reductase in its apo and liganded form (see paper)
38% identity, 96% coverage: 2:256/267 of query aligns to 12:264/274 of 2wzmA

query
sites
2wzmA

S

T

V

L

P

P

A

V

F

V

G

G

L

I

G

G

T

V

F

G

R

E

L

L

Q

S

G

D

Q

S

V

E

V

A

I

E

D

R

S

S

V

V

S

S

T

A

G

A

L

L

E

E

L

A

G

G

Y

Y

R

R

A

L

I

I

D
|
D

T

T

A

A

Q

A

I

A

Y
|
Y

D

G

N

N

E

E

A

A

D

A

V

V

G

G

Q

R

A

A

I

I

A

A

S

S

G

G

I

I

A

P

R

R

E

D

E

E

L

I

F

Y

I

V

T

T

S

T

K
|
K

I

L

W

A

I

T

A

P

N

D

F

Q

A

G

K

F

D

T

Q

S

L

S

I

Q

A

A

S

A

L

A

K

R

D

A

S

S

L

L

R

E

K

R

L

L

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G

T

L

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D

Y

Y

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V

D

D

L

L

T

Y

L

L

I

I

H
|
H

W

W

P

P

S

G

P

G

E

D

N

T

Q

S

V

K

P

Y

V

V

H

D

E

S

F

W

M

-

G

G

A

G

L

L

L

M

E

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A

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K

K

A

E

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D

G

G

L

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G

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N

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E

Q

T

A

I

I

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-

A

S

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L

G

T

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D

F

N

T

I

P

A

A

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N

N

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Y

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N

N

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L

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I

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x
R

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S

T

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N

R

P

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E

N
x
R

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N

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A

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R

F

E

G

L

F

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E

L

L

S

T

E

A

A

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M

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T

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A

N

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G

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D

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T

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R

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F

active site: D44 (= D34), Y49 (= Y39), K74 (= K64), H107 (= H97)
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 (= Y178), G187 (≠ M179), P188 (≠ T180), L189 (= L181), G190 (≠ A182), V191 (≠ Y183), G192 (= G184), L195 (= L187), A212 (= A204), I227 (= I219), R229 (≠ S221), S230 (= S222), R235 (≠ N227), N239 (= N231)

Sites not aligning to the query:

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: 265

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)
38% identity, 96% coverage: 2:256/267 of query aligns to 21:273/283 of A0QV09

query
sites
A0QV09

S

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A

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A

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Y

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N

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A

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-

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G

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C

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N

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A

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N

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x
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A

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G196 (≠ M179) binding
L198 (= L181) binding
V200 (≠ Y183) binding
I236 (= I219) binding
R238 (≠ S221) binding
S239 (= S222) binding
A240 (≠ T223) binding
R244 (≠ N227) binding
S247 (= S230) binding
N248 (= N231) binding

Sites not aligning to the query:

274 binding

5jh2A Crystal structure of the holo form of akr4c7 from maize (see paper)
37% identity, 90% coverage: 3:241/267 of query aligns to 12:245/257 of 5jh2A

query
sites
5jh2A

V

I

P

P

A

S

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V

G

G

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L

G

G

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N

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F

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K

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H

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G

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A

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W

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S

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T

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x
R

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N

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active site: D43 (= D34), Y48 (= Y39), K77 (= K64), H110 (= H97)
binding adenosine-2'-5'-diphosphate: S185 (≠ M179), P186 (≠ T180), L187 (= L181), G188 (= G184), A208 (= A204), K225 (≠ S221), S226 (= S222), T227 (= T223), R231 (≠ N227), N235 (= N231)

Query Sequence

>AO353_19655 FitnessBrowser__pseudo3_N2E3:AO353_19655
MSVPAFGLGTFRLQGQVVIDSVSTGLELGYRAIDTAQIYDNEADVGQAIAASGIAREELF
ITSKIWIANFAKDQLIASLKDSLRKLQTDYLDLTLIHWPSPENQVPVHEFMGALLEAKAL
GLTRQIGVSNFTVDLMQQAIDAVGADNIATNQIELHPYLQNRTVVEFAQSQGIQITSYMT
LAYGEVLKDPVIQQIAERHQATPAQVTLAWAMQQGYAVIPSSTQRANLDSNLAARELTLS
EADMTLIAGLERGQRLTSPKGIAPDWD

Or try a new SitesBLAST search

SitesBLAST's Database

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

by Morgan Price, Arkin group
Lawrence Berkeley National Laboratory