SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing PP_2368 FitnessBrowser__Putida:PP_2368 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, 97% coverage: 2:260/267 of query aligns to 12:267/275 of A0QV10

query
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A0QV10

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K262 (≠ R255) modified: Isoglutamyl lysine isopeptide (Lys-Gln) (interchain with Q-Cter in protein Pup)

3wbwA Crystal structure of gox0644 in complex with NADPH
39% identity, 95% coverage: 2:255/267 of query aligns to 13:261/271 of 3wbwA

query
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3wbwA

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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)

4g5dA X-ray crystal structure of prostaglandin f synthase from leishmania major friedlin bound to NADPH (see paper)
37% identity, 97% coverage: 1:260/267 of query aligns to 14:277/283 of 4g5dA

query
sites
4g5dA

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active site: D48 (= D34), Y53 (= Y39), K78 (= K64), H111 (= H97)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G22 (= G9), V23 (≠ T10), W24 (≠ F11), D48 (= D34), Y53 (= Y39), H111 (= H97), S148 (= S129), N149 (= N130), Q170 (= Q152), W196 (≠ Y178), S197 (≠ M179), P198 (≠ T180), L199 (= L181), Q201 (≠ Y183), G202 (= G184), L205 (= L187), I237 (= I219), P238 (= P220), K239 (≠ S221), S240 (= S222), V241 (≠ T223), H242 (≠ K224), R245 (≠ N227), E248 (≠ S230), N249 (= N231)

4fziA Crystal structure of prostaglandin f synthase from trypanosoma cruzi (see paper)
36% identity, 99% coverage: 1:264/267 of query aligns to 10:274/277 of 4fziA

query
sites
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)

2wzmA Crystal structure of a mycobacterium aldo-keto reductase in its apo and liganded form (see paper)
39% identity, 97% coverage: 2:260/267 of query aligns to 12:267/274 of 2wzmA

query
sites
2wzmA

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T

D

R

L

Q

E

A

T

I

I

A

V

V

S

V

L

G

T

K

Y

G

F

E

T

I

P

A

A

T

V

N

N

Q

Q

I

I

E

E

L

L

S

H

P

P

Y

L

L

L

Q

N

N

Q

S

A

K

A

L

L

T

R

A

E

F

V

L

N

K

A

E

G

Q

Y

G

N

I

I

T

V

V

T

T

E

S

A

Y
|
Y

M
x
G

T
x
P

L
|
L

A
x
G

Y
x
V

G
|
G

K

R

V

L

L
|
L

K

D

D

H

P

P

V

A

L

V

A

T

Q

A

I

I

A

A

A

E

K

A

H

H

K

G

A

R

T

T

V

A

A
|
A

Q

Q

V

V

A

L

L

L

A

R

W

W

A

S

L

I

Q

Q

L

L

G

G

Y

N

A

V

V

V

I
|
I

P

S

S
x
R

S
|
S

T

A

K

N

R

P

E

E

N
x
R

L

I

A

A

S

S

N
|
N

L

L

L

D

A

V

R

F

G

G

L

F

T

E

L

L

D

T

T

A

D

D

D

E

M

M

A

E

R

T

I

L

A

N

K

G

L

L

E

D

R

-

N

D

G

G

R

T

E

R

V

F

S
x
R

P

P

D

D

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), R265 (≠ S258)

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, 97% coverage: 2:260/267 of query aligns to 21:276/283 of A0QV09

query
sites
A0QV09

S

T

V

L

P

P

S

V

F

V

G

G

L

I

G

G

T

V

F

G

R

E

L

L

T

S

G

D

Q

S

T

E

V

A

I

E

D

R

S

S

V

V

K

S

S

A

A

A

L

L

A

E

V

A

G

G

Y

Y

R

R

V

L

I

I

D

D

T

T

A

A

Q

A

I

A

Y

Y

K

G

N

N

E

E

A

A

E

A

V

V

G

G

Q

R

A

A

I

I

A

A

E

A

S

S

G

G

V

I

P

P

R

R

S

D

E

E

L

I

F

Y

I

V

T

T

K

K

I

L

W

A

V

T

D

P

N

D

Y

Q

A

G

A

F

D

T

K

S

L

S

I

Q

P

A

S

A

L

A

R

R

D

A

S

S

L

L

Q

E

K

R

L

L

R

G

T

L

D

D

Y

Y

V

V

D

D

L

L

L

Y

L

L

I

I

H

H

W

W

P

P

A

G

P

-

G

G

N

D

G

T

V

S

E

K

L

Y

P

V

E

D

Y

S

M

W

K

G

A

G

L

L

A

M

D

K

A

V

K

K

Q

E

Q

D

G

G

L

I

A

A

R

R

Q

S

I

I

G

G

V

V

S

C

N

N

F

F

N

G

I

A

E

E

L

-

T

D

R

L

Q

E

A

T

I

I

A

V

V

S

V

L

G

T

K

Y

G

F

E

T

I

P

A

A

T

V

N

N

Q

Q

I

I

E

E

L

L

S

H

P

P

Y

L

L

L

Q

N

N

Q

S

A

K

A

L

L

T

R

A

E

F

V

L

N

K

A

E

G

Q

Y

G

N

I

I

T

V

V

T

T

E

S

A

Y

Y

M
x
G

T

P

L
|
L

A

G

Y
x
V

G

G

K

R

V

L

L

L

K

D

D

H

P

P

V

A

L

V

A

T

Q

A

I

I

A

A

A

E

K

A

H

H

K

G

A

R

T

T

V

A

A

A

Q

Q

V

V

A

L

L

L

A

R

W

W

A

S

L

I

Q

Q

L

L

G

G

Y

N

A

V

V

V

I
|
I

P

S

S
x
R

S
|
S

T
x
A

K

N

R

P

E

E

N
x
R

L

I

A

A

S
|
S

N
|
N

L

L

L

D

A

V

R

F

G

G

L

F

T

E

L

L

D

T

T

A

D

D

D

E

M

M

A

E

R

T

I

L

A

N

K

G

L

L

E

D

R

-

N

D

G

G

R

T

E

R

V

F

S
x
R

P

P

D

D

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
R274 (≠ S258) binding

4gieA Crystal structure of prostaglandin f synthase from trypanosoma cruzi bound to NADP (see paper)
36% identity, 99% coverage: 1:264/267 of query aligns to 21:285/288 of 4gieA

query
sites
4gieA

M

V

S

R

V

M

P

P

S

Q

F

L

G

G

L

L

G
|
G

T

V

F
x
W

R

R

L

A

T

Q

-

D

G

G

Q

A

T

E

V

T

I

A

D

N

S

A

V

V

K

R

S

W

A

A

L

I

A

E

V

A

G

G

Y

Y

R

R

V

H

I

I

D
|
D

T

T

A

A

Q

Y

I

I

Y
|
Y

K

S

N

N

E

E

A

R

E

G

V

V

G

G

Q

Q

A

G

I

I

A

R

E

E

S

S

G

G

V

V

P

P

R

R

S

E

E

E

L

V

F

W

I

V

T

T

K
|
K

I

V

W

W

V

N

D

S

N

D

Y

Q

A

G

A

Y

D

E

K

K

L

T

I

L

P

A

S

A

L

F

R

E

D

R

S

S

L

R

Q

E

K

L

L

L

R

G

T

L

D

E

Y

Y

V

I

D

D

L

L

L

Y

L

L

I

I

H
|
H

W
|
W

P

P

A

G

P

K

G

K

N

K

G

F

V

V

E

D

L

T

P

-

E

-

Y

-

M

W

K

K

A

A

L

L

A

E

D

K

A

L

K

Y

Q

E

G

K

L

K

A

V

R

R

Q

A

I

I

G

G

V

V

S

S

N
|
N

F

F

N

E

I

P

E

H

L

H

T

L

R

T

Q

E

A

L

I

F

A

K

V

S

V

C

G

-

K

K

G

I

E

R

I

P

A

M

T

V

N

N

Q
|
Q

I

V

E

E

L

L

S

H

P

P

Y

L

L

F

Q

Q

N

Q

S

R

K

T

L

L

T

R

A

E

F

F

L

C

K

K

E

Q

Q

H

G

N

I

I

T

A

V

I

T

T

S

A

Y
x
W

M
x
S

T
x
P

L
|
L

A

G

Y
x
S

G

G

K

E

-

E

-

A

-

G

V

I

L
|
L

K

K

D

N

P

H

V

V

L

L

A

G

Q

E

I

I

A

A

A

K

K

K

H

H

K

N

A

K

T

S

V

P

A
|
A

Q

Q

V

V

A

V

L

I

A

R

W

W

A

D

L

I

Q

Q

L

H

G

G

Y

I

A

V

V

T

I
|
I

P
|
P

S
x
K

S
|
S

T

T

K

N

R

K

E

G

N
x
R

L

I

A

Q

S
x
E

N
|
N

L

F

L

N

A

V

R

W

G

D

L

F

T

K

L

L

D

T

T

E

D

E

M

M

A

R

R

Q

I

I

A

D

K

E

L

L

E

N

R

E

N

D

G

K

R

R

-

I

E

G

V

A

S

D

P

P

D

D

G

N

L

F

A

F

P

P

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)

5jh2A Crystal structure of the holo form of akr4c7 from maize (see paper)
37% identity, 94% coverage: 3:252/267 of query aligns to 12:256/257 of 5jh2A

query
sites
5jh2A

V

I

P

P

S

S

F

V

G

G

L

L

G

G

T

S

F

W

R

Q

L

S

T

D

G

P

Q

G

T

V

V

V

I

G

D

N

S

A

V

V

K

Y

S

A

A

A

L

V

A

K

V

A

G

G

Y

Y

R

R

V

H

I

I

D
|
D

T

C

A

A

Q

R

I

V

Y
|
Y

K

G

N

N

E

E

A

K

E

E

V

I

G

G

Q

L

A

A

I

L

A

K

-

K

-

L

-

F

-

E

E

E

S

G

G

V

V

V

P

K

R

R

S

E

E

D

L

M

F

F

I

I

T

T

T

S

K
|
K

I

L

W

W

V

N

D

D

N

H

Y

H

A

A

A

P

D

E

K

D

L

V

I

P

P

E

S

A

L

L

R

N

D

D

S

S

L

L

Q

N

K

D

L

L

R

Q

T

L

D

E

Y

Y

V

L

D

D

L

L

L

Y

L

L

I

I

H
|
H

W

W

P

P

A

F

P

-

G

-

N

-

G

-

V

-

E

-

L

F

P

P

E

A

Y

T

M

W

K

G

A

A

L

M

A

E

D

K

A

L

K

Y

Q

D

Q

A

G

G

L

K

A

A

R

R

Q

A

I

I

G

G

V

V

S

S

N

N

F

F

N

S

I

S

E

K

L

K

T

L

R

G

Q

D

A

L

I

L

A

A

V

V

V

-

G

A

K

R

G

V

E

P

I

P

A

A

T

V

N

D

Q

Q

I

V

E

E

L

C

S

H

P

P

Y

G

L

W

Q

Q

N

Q

S

T

K

K

L

L

T

H

A

S

F

F

L

C

K

Q

E

S

Q

T

G

G

I

V

T

H

V

L

T

T

S

A

Y

Y

M
x
S

T
x
P

L
|
L

A

-

Y

-

G
|
G

K

N

V

V

L

L

K

K

D

E

P

P

V

I

L

I

A

I

Q

S

I

I

A

A

A

E

K

K

H

L

K

G

A

K

T

T

V

S

A
|
A

Q

Q

V

V

A

A

L

L

A

R

W

W

A

N

L

I

Q

Q

L

M

G

G

Y

H

A

S

V

V

I

L

P

P

S
x
K

S
|
S

T
|
T

K

N

R

E

E

E

N
x
R

L

I

A

K

S

Q

N
|
N

L

L

L

D

A

V

R

Y

G

D

L

W

T

S

L

I

D

P

T

D

D

D

D

L

M

L

A

A

R

K

I

F

A

S

K

E

L

I

E

K

R

Q

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)

3d3fA Crystal structure of yvgn and cofactor NADPH from bacillus subtilis (see paper)
40% identity, 97% coverage: 1:260/267 of query aligns to 14:269/275 of 3d3fA

query
sites
3d3fA

M

V

S

E

V

M

P

P

S

W

F

F

G

G

L

L

G
|
G

T

V

F
|
F

R

K

L

V

-

E

T

N

G

G

Q

N

T

E

V

A

I

T

D

E

S

S

V

V

K

K

S

A

A

A

L

I

A

K

V

N

G

G

Y

Y

R

R

V

S

I

I

D
|
D

T

T

A

A

Q

A

I

I

Y
|
Y

K

K

N

N

E

E

A

E

E

G

V

V

G

G

Q

I

A

G

I

I

A

K

E

E

S

S

G

G

V

V

P

A

R

R

S

E

E

E

L

L

F

F

I

I

T

T

T

S

K
|
K

I

V

W

W

V

N

D

E

N

D

Y

Q

A

G

A

Y

D

E

K

T

L

T

I

L

P

A

S

A

L

F

R

E

D

K

S

S

L

L

Q

E

K

R

L

L

R

Q

T

L

D

D

Y

Y

V

L

D

D

L

L

L

Y

L

L

I

I

H
|
H

W

W

P

P

A

G

P

K

G

D

N

-

G

-

V

-

E

K

L

Y

P

K

E

D

Y

T

M

W

K

R

A

A

L

L

A

E

D

K

A

L

K

Y

Q

K

Q

D

G

G

L

K

A

I

R

R

Q

A

I

I

G

G

V

V

S
|
S

N
|
N

F

F

N

Q

I

V

E

H

L

H

T

L

R

E

Q

E

A

-

I

-

A

-

V

L

G

K

K

D

G

A

E

E

I

I

A

K

-

P

-

M

T

V

N

N

Q
|
Q

I

V

E

E

L

F

S

H

P

P

Y

R

L

L

Q

T

N

Q

S

K

K

E

L

L

T

R

A

D

F

Y

L

C

K

K

E

G

Q

Q

G

G

I

I

T

Q

V

L

T

E

S

A

Y
x
W

M
x
S

T
x
P

L
|
L

A

M

Y
x
Q

G

G

K

Q

V

L

L
|
L

K

D

D

N

P

E

V

V

L

L

A

T

Q

Q

I

I

A

A

A

E

K

K

H

H

K

N

A

K

T

S

V

V

A

A

Q

Q

V

V

A

I

L

L

A

R

W

W

A

D

L

L

Q

Q

L

H

G

G

Y

V

A

V

V

T

I
|
I

P

P

S
x
K

S
|
S

T

I

K
|
K

R

E

E

H

N
x
R

L

I

A

I

S
x
E

N
|
N

L

A

L

D

A

I

R

F

G

D

L

F

T

E

L

L

D

S

T

Q

D

E

D

D

M

M

A

D

R

K

I

I

A

D

K

A

L

L

E

N

R

K

N

D

G

E

R

R

E

-

V

V

S

G

P

P

D

N

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 (= K224), R237 (≠ N227), E240 (≠ S230), N241 (= N231)

3b3dA B.Subtilis ytbe (see paper)
39% identity, 97% coverage: 1:260/267 of query aligns to 15:274/280 of 3b3dA

query
sites
3b3dA

M

V

S

E

V

M

P

P

S

W

F

F

G

G

L

L

G

G

T

V

F

F

R

Q

L

V

T

E

-

E

G

G

Q

S

T

E

V

L

I

V

D

N

S

A

V

V

K

K

S

T

A

A

L

I

A

V

V

H

G

G

Y

Y

R

R

V

S

I

I

D
|
D

T

T

A

A

Q

A

I

I

Y
|
Y

K

G

N

N

E

E

A

A

E

G

V

V

G

G

Q

E

A

G

I

I

-

R

-

E

-

G

-

I

A

E

E

E

S

A

G

G

V

I

P

S

R

R

S

E

E

D

L

L

F

F

I

I

T

T

T

S

K
|
K

I

V

W

W

V

N

D

A

N

D

Y

L

A

G

A

Y

D

E

K

E

L

T

I

L

P

A

S

A

L

F

R

E

D

T

S

S

L

L

Q

S

K

K

L

L

R

G

T

L

D

D

Y

Y

V

L

D

D

L

L

L

Y

L

L

I

I

H
|
H

W

W

P

P

A

V

P

E

G

G

N

-

G

-

V

-

E

K

L

Y

P

K

E

E

Y

A

M

W

K

R

A

A

L

L

A

E

D

T

A

L

K

Y

Q

K

Q

E

G

G

L

R

A

I

R

K

Q

A

I

I

G

G

V

V

S

S

N

N

F

F

N

Q

I

I

E

H

L

-

T

H

R

L

Q

E

A

D

I

L

A

M

V

T

V

A

G

A

K

E

G

I

E

K

I

P

A

M

T

I

N

N

Q

Q

I

V

E

E

L

F

S

H

P

P

Y

R

L

L

Q

T

N

Q

S

K

K

E

L

L

T

I

A

R

F

Y

L

C

K

Q

E

N

Q

Q

G

G

I

I

T

Q

V

M

T

E

S

A

Y

W

M
x
S

T
x
P

L
|
L

A

M

Y

Q

G

G

K

Q

V

L

L

L

K

D

D

H

P

P

V

V

L

L

A

A

Q

D

I

I

A

A

A

Q

K

T

H

Y

K

N

A

K

T

S

V

V

A

A

Q

Q

V

I

A

I

L

L

A

R

W

W

A

D

L

L

Q

Q

L

H

G

G

Y

I

A

I

V

T

I

I

P
|
P

S
x
K

S

S

T

T

K

K

R

E

E

H

N

R

L

I

A

K

S

E

N

N

L

A

L

S

A

V

R

F

G

D

L

F

T

E

L

L

D

T

T

Q

D

D

M

M

A

N

R

R

I

I

A

D

K

A

L

L

E

N

R

E

N

N

G

L

R

R

E

-

V

V

S

G

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)

P80508 Prostaglandin-E(2) 9-reductase; 20-alpha-hydroxysteroid dehydrogenase; 20-alpha-HSD; EC 1.1.1.189; EC 1.1.1.149 from Oryctolagus cuniculus (Rabbit) (see paper)
35% identity, 97% coverage: 3:260/267 of query aligns to 16:309/323 of P80508

query
sites
P80508

V

I

P

P

S

V

F

L

G

G

L

F

G

G

T
|
T

F
x
Y

-

A

-

P

-

E

R

E

L

V

T

P

G

K

Q

S

T

K

V

A

I

M

D

E

S

A

V

T

K

K

S

I

A

A

L

I

A

D

V

A

G

G

Y

F

R

R

V

H

I

I

D
|
D

T

S

A

A

Q

Y

I
x
F

Y

Y

K

K

N

N

E

E

A

K

E

E

V

V

G

G

Q

L

A

A

I

I

-

R

-

S

-

K

-

I

A

A

E

D

S

G

G

T

V

V

P

K

R

R

S

E

E

D

L

I

F

F

I

Y

T

T

T

S

K

K

I

L

W

W

V

C

D

T

N

F

Y

H

A

R

A

P

D

E

K

L

L

V

I

R

P

P

S

S

L

L

R

E

D

D

S

S

L

L

Q

K

K

N

L

L

R

Q

T

L

D

D

Y

Y

V

V

D

D

L

L

L

Y

L

I

I

I

H

H

W

F

P

P

-

T

A

A

P

L

G

K

N

P

G

G

V

V

E

E

L

I

-

I

-

P

-

T

P

D

E

E

Y

H

M

G

K

K

A

A

L

I

A

F

D

D

-

T

-

V

-

D

-

I

-

C

-

A

-

T

-

W

-

E

-

A

-

M

-

E

-

K

A

C

K

K

Q

D

Q

A

G

G

L

L

A

A

R

K

Q

S

I

I

G

G

V

V

S
|
S

N
|
N

F

F

N

N

I

-

E

-

L

-

T

R

R

R

Q

Q

A

L

I

E

A

M

V

I

V

L

G

N

K

K

G

P

E

G

I

L

-

K

-

Y

-

K

-

P

A

V

T

C

N

N

Q
|
Q

I

V

E

E

L

C

S

H

P

P

Y

Y

L

L

Q

N

N

Q

S

G

K

K

L

L

T

L

A

E

F

F

L

C

K

K

E

S

Q

K

G

G

I

I

T

V

V

L

T

V

S

A

Y
|
Y

M
x
S

T
x
A

L
|
L

A
x
G

Y
x
S

G

H

K

R

-

E

-

P

-

E

-

W

-

V

-

D

-

Q

-

S

-

A

-

P

-

V

V

L

L

L

K

E

D

D

P

P

V

L

L

I

A

G

Q

A

I

L

A

A

A

K

K

K

H

H

K

Q

A

Q

T

T

V

P

A

A

Q

L

V

I

A

A

L

L

A

R

W

Y

A

Q

L

L

Q

Q

L

R

G

G

Y

I

A

V

V

V

I

L

P

A

S
x
K

S
|
S

T
x
F

K
x
T

R
x
E

E
x
K

N
x
R

L
x
I

A
x
K

S
x
E

N
|
N

L

I

L

Q

A

V

R

F

G

E

L

F

T

Q

L

L

D

P

T

S

D

E

D

D

M

M

A

K

R

V

I

I

A

D

K

S

L

L

E

N

R

R

N

N

G

F

R

R

E

Y

V
|
V

S

T

P

A

D

D

TY 23:24 (≠ TF 10:11) binding
D50 (= D34) binding
F54 (≠ I38) mutation to L: 49% reduction in 20alpha-HSD activity; little effect on 3-alpha-HSD.; mutation to V: 73% reduction in 20alpha-HSD activity; little effect on 3-alpha-HSD.
SN 166:167 (= SN 129:130) binding
Q190 (= Q152) binding
YSALGS 216:221 (≠ YMTLAY 178:183) binding
270:280 (vs. 221:231, 18% identical) binding
V306 (= V257) mutation to F: Greatly reduced 3alpha-HSD activity toward DHT; little effect on 20alpha-HSD activity.

1q5mA Binary complex of rabbit 20alpha-hydroxysteroid dehydrogenase with NADPH (see paper)
35% identity, 97% coverage: 3:260/267 of query aligns to 15:308/322 of 1q5mA

query
sites
1q5mA

V

I

P

P

S

V

F

L

G

G

L

F

G
|
G

T
|
T

F
x
Y

-

A

-

P

-

E

R

E

L

V

T

P

G

K

Q

S

T

K

V

A

I

M

D

E

S

A

V

T

K

K

S

I

A

A

L

I

A

D

V

A

G

G

Y

F

R

R

V

H

I

I

D
|
D

T

S

A

A

Q

Y

I

F

Y
|
Y

K

K

N

N

E

E

A

K

E

E

V

V

G

G

Q

L

A

A

I

I

-

R

-

S

-

K

-

I

A

A

E

D

S

G

G

T

V

V

P

K

R

R

S

E

E

D

L

I

F

F

I

Y

T

T

T

S

K
|
K

I

L

W

W

V

C

D

T

N

F

Y

H

A

R

A

P

D

E

K

L

L

V

I

R

P

P

S

S

L

L

R

E

D

D

S

S

L

L

Q

K

K

N

L

L

R

Q

T

L

D

D

Y

Y

V

V

D

D

L

L

L

Y

L

I

I

I

H
|
H

W

F

P

P

-

T

A

A

P

L

G

K

N

P

G

G

V

V

E

E

L

I

-

I

-

P

-

T

P

D

E

E

Y

H

M

G

K

K

A

A

L

I

A

F

D

D

-

T

-

V

-

D

-

I

-

C

-

A

-

T

-

W

-

E

-

A

-

M

-

E

-

K

A

C

K

K

Q

D

Q

A

G

G

L

L

A

A

R

K

Q

S

I

I

G

G

V

V

S

S

N

N

F

F

N

N

I

-

E

-

L

-

T

R

R

R

Q

Q

A

L

I

E

A

M

V

I

V

L

G

N

K

K

G

P

E

G

I

L

-

K

-

Y

-

K

-

P

A

V

T

C

N

N

Q
|
Q

I

V

E

E

L

C

S

H

P

P

Y

Y

L

L

Q

N

N

Q

S

G

K

K

L

L

T

L

A

E

F

F

L

C

K

K

E

S

Q

K

G

G

I

I

T

V

V

L

T

V

S

A

Y
|
Y

M
x
S

T

A

L
|
L

A

G

Y
x
S

G
x
H

K

R

-

E

-

P

-

E

-

W

-

V

-

D

-

Q

-

S

-

A

-

P

-

V

V

L

L

L

K

E

D

D

P

P

V

L

L

I

A

G

Q

A

I

L

A

A

A

K

K

K

H

H

K

Q

A

Q

T

T

V

P

A
|
A

Q

L

V

I

A

A

L

L

A

R

W

Y

A

Q

L

L

Q

Q

L

R

G

G

Y

I

A

V

V

V

I
x
L

P

A

S
x
K

S
|
S

T
x
F

K
x
T

R

E

E

K

N
x
R

L

I

A

K

S
x
E

N
|
N

L

I

L

Q

A

V

R

F

G

E

L

F

T

Q

L

L

D

P

T

S

D

E

D

D

M

M

A

K

R

V

I

I

A

D

K

S

L

L

E

N

R

R

N

N

G

F

R

R

E

Y

V

V

S

T

P

A

D

D

active site: D49 (= D34), Y54 (= Y39), K83 (= K64), H116 (= H97)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G21 (= G9), T22 (= T10), Y23 (≠ F11), D49 (= D34), Y54 (= Y39), H116 (= H97), Q189 (= Q152), Y215 (= Y178), S216 (≠ M179), L218 (= L181), S220 (≠ Y183), H221 (≠ G184), A252 (= A204), L267 (≠ I219), K269 (≠ S221), S270 (= S222), F271 (≠ T223), T272 (≠ K224), R275 (≠ N227), E278 (≠ S230), N279 (= N231)

1q13A Crystal structure of rabbit 20alpha hyroxysteroid dehydrogenase in ternary complex with NADP and testosterone (see paper)
35% identity, 97% coverage: 3:260/267 of query aligns to 15:308/322 of 1q13A

query
sites
1q13A

V

I

P

P

S

V

F

L

G

G

L

F

G
|
G

T
|
T

F
x
Y

-

A

-

P

-

E

R

E

L

V

T

P

G

K

Q

S

T

K

V

A

I

M

D

E

S

A

V

T

K

K

S

I

A

A

L

I

A

D

V

A

G

G

Y

F

R

R

V

H

I

I

D
|
D

T

S

A

A

Q

Y

I
x
F

Y
|
Y

K

K

N

N

E

E

A

K

E

E

V

V

G

G

Q

L

A

A

I

I

-

R

-

S

-

K

-

I

A

A

E

D

S

G

G

T

V

V

P

K

R

R

S

E

E

D

L

I

F

F

I

Y

T

T

T

S

K
|
K

I

L

W

W

V

C

D

T

N

F

Y

H

A

R

A

P

D

E

K

L

L

V

I

R

P

P

S

S

L

L

R

E

D

D

S

S

L

L

Q

K

K

N

L

L

R

Q

T

L

D

D

Y

Y

V

V

D

D

L

L

L

Y

L

I

I

I

H
|
H

W

F

P

P

-

T

A

A

P

L

G

K

N

P

G

G

V

V

E

E

L

I

-

I

-

P

-

T

P

D

E

E

Y

H

M

G

K

K

A

A

L

I

A

F

D

D

-

T

-

V

-

D

-

I

-

C

-

A

-

T

-

W

-

E

-

A

-

M

-

E

-

K

A

C

K

K

Q

D

Q

A

G

G

L

L

A

A

R

K

Q

S

I

I

G

G

V

V

S

S

N

N

F

F

N

N

I

-

E

-

L

-

T

R

R

R

Q

Q

A

L

I

E

A

M

V

I

V

L

G

N

K

K

G

P

E

G

I

L

-

K

-

Y

-

K

-

P

A

V

T

C

N

N

Q
|
Q

I

V

E

E

L

C

S

H

P

P

Y

Y

L

L

Q

N

N

Q

S

G

K

K

L

L

T

L

A

E

F

F

L

C

K

K

E

S

Q

K

G

G

I

I

T

V

V

L

T

V

S

A

Y
|
Y

M
x
S

T

A

L
|
L

A

G

Y
x
S

G
x
H

K

R

-

E

-
x
P

-

E

-

W

-

V

-

D

-

Q

-

S

-

A

-

P

-

V

V

L

L
|
L

K

E

D

D

P

P

V

L

L

I

A

G

Q

A

I

L

A

A

A

K

K

K

H

H

K

Q

A

Q

T

T

V

P

A
|
A

Q

L

V

I

A

A

L

L

A

R

W

Y

A

Q

L

L

Q

Q

L

R

G

G

Y

I

A

V

V

V

I
x
L

P

A

S
x
K

S
|
S

T

F

K
x
T

R

E

E

K

N
x
R

L

I

A

K

S
x
E

N
|
N

L

I

L

Q

A

V

R

F

G

E

L

F

T

Q

L

L

D

P

T

S

D

E

D

D

M

M

A

K

R

V

I

I

A

D

K

S

L

L

E

N

R

R

N

N

G

F

R

R

E

Y

V

V

S

T

P

A

D

D

active site: D49 (= D34), Y54 (= Y39), K83 (= K64), H116 (= H97)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G21 (= G9), T22 (= T10), Y23 (≠ F11), D49 (= D34), Y54 (= Y39), H116 (= H97), Q189 (= Q152), Y215 (= Y178), S216 (≠ M179), L218 (= L181), S220 (≠ Y183), H221 (≠ G184), L235 (= L187), A252 (= A204), L267 (≠ I219), K269 (≠ S221), S270 (= S222), T272 (≠ K224), R275 (≠ N227), E278 (≠ S230), N279 (= N231)
binding testosterone: Y23 (≠ F11), F53 (≠ I38), Y54 (= Y39), H116 (= H97), P224 (vs. gap)

3wczA Crystal structure of bombyx mori aldo-keto reductase (akr2e4) in complex with NADP (see paper)
37% identity, 95% coverage: 2:255/267 of query aligns to 14:292/307 of 3wczA

query
sites
3wczA

S

T

V

I

P

P

S

I

F

V

G

A

L

L

G
|
G

T
|
T

F
x
G

R

R

L

G

T
|
T

G

A

Q

K

T

E

V

S

-

D

-

S

I

I

D

D

S

E

V

V

K

R

S

Q

A

A

-

V

-

Y

-

W

-

A

L

I

A

E

V

A

G

G

Y

Y

R

R

V

H

I

I

D
|
D

T

T

A

A

Q

A

I

V

Y
|
Y

K

Q

N

D

E

E

A

E

E

Q

V

V

G

G

Q

Q

A

G

I

I

A

A

E

E

S

A

G

I

-

A

-

N

-

G

-

L

V

V

P

T

R

R

S

E

E

E

L

L

F

F

I

V

T

T

K
|
K

I

L

W

W

V

N

D

D

N

K

Y

H

A

A

A

R

D

D

K

Q

L

V

I

V

P

P

S

A

L

L

R

Q

D

E

S

S

L

L

Q

K

K

K

L

L

R

G

T

L

D

D

Y

Y

V

I

D

D

L

L

L

Y

L

L

I

I

H
|
H

W

F

P

P

-

I

-

A

-

T

-

K

-

P

-

D

A

S

P

P

G

D

N

N

G

-

V

I

E

D

L

Y

P

L

E

E

Y

T

M

W

K

Q

A

G

L

M

A

Q

D

D

A

A

K

R

Q

Q

Q

L

G

G

L

L

A

A

R

R

Q

S

I

I

G

G

V

V

S

S

N

N

F

F

N

N

-

A

I

T

E

Q

L

I

T

T

R

R

Q

-

A

-

I

-

A

-

V

L

V

V

G

S

K

N

G

S

E

Y

I

I

-

R

-

P

A

V

T

I

N

N

Q
|
Q

I

I

E

E

L

V

S

N

P

P

Y

T

L

N

Q

T

N

Q

S

E

K

P

L

L

T

V

A

A

F

H

L

C

K

Q

E

S

Q

L

G

G

I

I

T

A

V

V

T

M

S

A

Y
|
Y

M
x
S

T
x
P

L
x
F

A

G

Y

F

-

V

-

S

-
x
R

G

G

K

Q

V

T

-

G

-

A

-

P

-

R

L

S

K

D

D

D

P

P

V

T

L

L

A

T

Q

A

I

L

A

A

A

N

K

K

H

Y

K

R

A

K

T

S

V

V

A

G

Q

Q

V

I

A

L

L

L

A

R

W

Y

A

L

L

I

Q

D

L

R

G

G

Y

L

A

I

V

P

I
|
I

P
|
P

S
x
K

S
|
S

T
|
T

K

N

R

K

E

Q

N
x
R

L

I

A

A

S

Q

N
|
N

L

I

L

D

A

L

R

F

G

D

L

F

T

Q

L

L

D

T

T

F

D

E

M

V

A

A

R

A

I

I

A

N

K

Q

L

F

E

N

R

K

N

N

G

H

R

R

active site: D52 (= D34), Y57 (= Y39), K86 (= K64), H119 (= H97)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G21 (= G9), T22 (= T10), G23 (≠ F11), T26 (= T14), D52 (= D34), Y57 (= Y39), H119 (= H97), Q179 (= Q152), Y205 (= Y178), S206 (≠ M179), P207 (≠ T180), F208 (≠ L181), R214 (vs. gap), I256 (= I219), P257 (= P220), K258 (≠ S221), S259 (= S222), T260 (= T223), R264 (≠ N227), N268 (= N231)

H9JTG9 Aldo-keto reductase AKR2E4; 3-dehydroecdysone reductase; Aldo-keto reductase 2E; EC 1.1.1.- from Bombyx mori (Silk moth) (see paper)
37% identity, 95% coverage: 2:255/267 of query aligns to 15:293/308 of H9JTG9

query
sites
H9JTG9

S

T

V

I

P

P

S

I

F

V

G

A

L

L

G
|
G

T
|
T

F
x
G

R
|
R

L
x
G

T
|
T

G
x
A

Q
x
K

T

E

V

S

-

D

-

S

I

I

D

D

S

E

V

V

K

R

S

Q

A

A

-

V

-

Y

-

W

-

A

L

I

A

E

V

A

G

G

Y

Y

R

R

V

H

I

I

D
|
D

T

T

A

A

Q

A

I

V

Y

Y

K

Q

N

D

E

E

A

E

E

Q

V

V

G

G

Q

Q

A

G

I

I

A

A

E

E

S

A

G

I

-

A

-

N

-

G

-

L

V

V

P

T

R

R

S

E

E

E

L

L

F

F

I

V

T

T

K

K

I

L

W

W

V

N

D

D

N

K

Y

H

A

A

A

R

D

D

K

Q

L

V

I

V

P

P

S

A

L

L

R

Q

D

E

S

S

L

L

Q

K

K

K

L

L

R

G

T

L

D

D

Y

Y

V

I

D

D

L

L

L

Y

L

L

I

I

H

H

W

F

P

P

-

I

-

A

-

T

-

K

-

P

-

D

A

S

P

P

G

D

N

N

G

-

V

I

E

D

L

Y

P

L

E

E

Y

T

M

W

K

Q

A

G

L

M

A

Q

D

D

A

A

K

R

Q

Q

Q

L

G

G

L

L

A

A

R

R

Q

S

I

I

G

G

V

V

S
|
S

N
|
N

F

F

N

N

-

A

I

T

E

Q

L

I

T

T

R

R

Q

-

A

-

I

-

A

-

V

L

V

V

G

S

K

N

G

S

E

Y

I

I

-

R

-

P

A

V

T

I

N

N

Q

Q

I

I

E

E

L

V

S

N

P

P

Y

T

L

N

Q

T

N

Q

S

E

K

P

L

L

T

V

A

A

F

H

L

C

K

Q

E

S

Q

L

G

G

I

I

T

A

V

V

T

M

S

A

Y

Y

M

S

T

P

L

F

A

G

Y

F

-

V

-

S

-
x
R

G

G

K

Q

V

T

-

G

-

A

-

P

-

R

L

S

K

D

D

D

P

P

V

T

L

L

A

T

Q

A

I

L

A

A

A

N

K

K

H

Y

K

R

A

K

T

S

V

V

A

G

Q

Q

V

I

A

L

L

L

A

R

W

Y

A

L

L

I

Q

D

L

R

G

G

Y

L

A

I

V

P

I

I

P

P

S
x
K

S
|
S

T
|
T

K
x
N

R
x
K

E
x
Q

N
x
R

L
x
I

A
|
A

S
x
Q

N
|
N

L

I

L

D

A

L

R

F

G

D

L

F

T

Q

L

L

D

T

T

F

D

E

M

V

A

A

R

A

I

I

A

N

K

Q

L

F

E

N

R

K

N

N

G

H

R

R

22:29 (vs. 9:16, 50% identical) binding
D53 (= D34) binding
SN 158:159 (= SN 129:130) binding
R215 (vs. gap) binding
259:269 (vs. 221:231, 36% identical) binding

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)
35% identity, 93% coverage: 4:252/267 of query aligns to 17:287/315 of Q0PGJ6

query
sites
Q0PGJ6

P

P

S

S

F

V

G

G

L

L

G

G

T
|
T

F
x
W

R

Q

L

A

T

S

G

P

Q

G

T

L

V

V

I

G

D

D

S

A

V

V

K

A

S

A

A

A

L

V

A

K

V

I

G

G

Y

Y

R

R

V

H

I

I

D
|
D

T

C

A

A

Q

Q

I

I

Y

Y

K

G

N

N

E

E

A

K

E

E

V

I

G

G

-

A

-

V

-

L

-

K

Q

K

A

L

I

F

A

E

E

D

S

R

G

V

V

V

P

K

R

R

S

E

E

D

L

L

F

F

I

I

T

T

T

S

K

K

I

L

W

W

V

C

D

T

N

D

Y

H

A

D

A

P

D

Q

K

D

L

V

I

P

P

E

S

A

L

L

R

N

D

R

S

T

L

L

Q

K

K

D

L

L

R

Q

T

L

D

E

Y

Y

V

V

D

D

L

L

L

Y

L

L

I

I

H

H

W

W

P

P

A

A

-

R

-

I

-

K

-

G

-

S

-

V

-

G

-

I

-

K

P

P

G

E

N

N

-

L

G

P

V

V

E

D

L

I

P

P

E

S

Y

T

M

W

K

K

A

A

L

M

A

E

D

A

A

L

K

Y

Q

D

Q

S

G

G

L

K

A

A

R

R

Q

A

I

I

G

G

V

V

S
|
S

N
|
N

F

F

N

S

-

T

-

K

-

L

-

A

-

D

-

L

I

L

E

E

L

L

T

A

R

R

Q

V

A

P

I

P

A

A

V

V

V

-

G

-

K

-

G

-

E

-

I

-

A

-

T

-

N

N

Q
|
Q

I

V

E

E

L

C

S

H

P

P

Y

S

L

W

Q

R

N

Q

S

T

K

K

L

L

T

Q

A

E

F

F

L

C

K

K

E

S

Q

K

G

G

I

V

T

H

V

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

K

D

V

V

L

L

K

K

D

N

P

P

V

I

L

L

A

N

Q

M

I

V

A

A

A

E

K

K

H

L

K

G

A

K

T

S

V

P

A

A

Q

Q

V

V

A

A

L

L

A

R

W

W

A

G

L

L

Q

Q

L

M

G

G

Y

H

A

S

V

V

I

L

P

P

S
x
K

S
|
S

T
|
T

K

N

R

E

E

G

N
x
R

L
x
I

A
x
K

S
x
E

N
|
N

L

F

L

N

A

V

R

F

G

D

L

W

T

S

L

I

D

P

T

D

D

Y

D

M

M

F

A

A

R

K

I

F

A

A

K

E

L

I

E

E

R

Q

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 (≠ NLASN 227:231) binding

3h7uA Crystal structure of the plant stress-response enzyme akr4c9 (see paper)
35% identity, 93% coverage: 4:252/267 of query aligns to 14:284/312 of 3h7uA

query
sites
3h7uA

P

P

S

S

F

V

G

G

L

L

G
|
G

T
|
T

F
x
W

R

Q

L

A

T
x
S

G

P

Q

G

T

L

V

V

I

G

D

D

S

A

V

V

K

A

S

A

A

A

L

V

A

K

V

I

G

G

Y

Y

R

R

V

H

I

I

D
|
D

T

C

A

A

Q

Q

I

I

Y
|
Y

K

G

N

N

E

E

A

K

E

E

V

I

G

G

-

A

-

V

-

L

-

K

Q

K

A

L

I

F

A

E

E

D

S

R

G

V

V

V

P

K

R

R

S

E

E

D

L

L

F

F

I

I

T

T

T

S

K
|
K

I

L

W

W

V

C

D

T

N

D

Y

H

A

D

A

P

D

Q

K

D

L

V

I

P

P

E

S

A

L

L

R

N

D

R

S

T

L

L

Q

K

K

D

L

L

R

Q

T

L

D

E

Y

Y

V

V

D

D

L

L

L

Y

L

L

I

I

H
|
H

W
|
W

P

P

A

A

-

R

-

I

-

K

-

G

-

S

-

V

-

G

-

I

-

K

P

P

G

E

N

N

-

L

G

P

V

V

E

D

L

I

P

P

E

S

Y

T

M

W

K

K

A

A

L

M

A

E

D

A

A

L

K

Y

Q

D

Q

S

G

G

L

K

A

A

R

R

Q

A

I

I

G

G

V

V

S

S

N
|
N

F

F

N

S

-

T

-

K

-

L

-

A

-

D

-

L

I

L

E

E

L

L

T

A

R

R

Q

V

A

P

I

P

A

A

V

V

V

-

G

-

K

-

G

-

E

-

I

-

A

-

T

-

N

N

Q
|
Q

I

V

E

E

L

C

S

H

P

P

Y

S

L

W

Q

R

N

Q

S

T

K

K

L

L

T

Q

A

E

F

F

L

C

K

K

E

S

Q

K

G

G

I

V

T

H

V

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

K

D

V

V

L

L

K

K

D

N

P

P

V

I

L

L

A

N

Q

M

I

V

A

A

A

E

K

K

H

L

K

G

A

K

T

S

V

P

A
|
A

Q

Q

V

V

A

A

L

L

A

R

W

W

A

G

L

L

Q

Q

L

M

G

G

Y

H

A

S

V

V

I
x
L

P
|
P

S
x
K

S
|
S

T

T

K

N

R

E

E

G

N
x
R

L

I

A

K

S
x
E

N
|
N

L

F

L

N

A

V

R

F

G

D

L

W

T

S

L

I

D

P

T

D

D

Y

D

M

M

F

A

A

R

K

I

F

A

A

K

E

L

I

E

E

R

Q

active site: S24 (≠ T14), 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)

7f7mA Akr4c17 in complex with NADP+ and glyphosate
37% identity, 94% coverage: 3:252/267 of query aligns to 12:282/309 of 7f7mA

query
sites
7f7mA

V

I

P

P

S

S

F

V

G

G

L

L

G
|
G

T
|
T

F
x
W

R

Q

L

S

T

D

G

P

Q

G

T

V

V

V

I

G

D

D

S

A

V

V

K

Y

S

T

A

A

L

V

A

K

V

A

G

G

Y

Y

R

R

V

H

I

I

D
|
D

T

C

A

A

Q

K

I

V

Y
|
Y

K

G

N

N

E

E

A

K

E

E

V

I

G

G

Q

L

A

A

I

L

A

K

-

K

-

L

-

F

-

E

E

E

S

G

G

V

V

V

P

K

R

R

S

E

E

D

L

L

F

F

I

I

T

T

T

S

K

K

I

L

W
|
W

V

N

D

D

N

R

Y

H

A

A

A

P

D

E

K

D

L

V

I

P

P

E

S

A

L

L

R

N

D

E

S

S

L

L

Q

T

K

D

L

L

R

Q

T

L

D

D

Y

Y

V

L

D

D

L

L

L

Y

L

L

I

I

H
|
H

W
|
W

P

P

-

F

-

R

-

V

-

K

-

G

-

T

-

N

-

T

A

S

P

P

G

E

N

N

G

F

V

I

-

T

-

P

E

D

L

I

P

P

E

A

Y

T

M

W

K

G

A

A

L

M

A

E

D

K

A

C

K

Y

Q

D

Q

A

G

G

L

K

A

A

R

R

Q

A

I

I

G

G

V

V

S

S

N

N

F

F

N

S

I

S

E

K

L

K

T

L

R

G

Q

D

A

L

I

L

A

A

V

V

V

A

G

-

K

R

G

V

E

H

I

P

A

A

T

V

N

D

Q
|
Q

I

V

E

E

L

C

S

H

P

P

Y

G

L

W

Q

Q

N

Q

S

T

K

K

L

L

T

H

A

N

F

F

L

C

K

Q

E

S

Q

T

G

G

I

V

T

H

V

L

T

T

S

A

Y
|
Y

M
x
S

T
x
P

L
|
L

A

G

Y
x
S

-
x
P

-

G

-

T

-

W

-

M

-

N

G

G

K

N

V

V

L

L

K

K

D

E

P

P

V

V

L

I

A

I

Q

S

I

I

A

A

A

E

K

K

H

L

K

G

A

K

T

T

V

P

A
|
A

Q

Q

V

V

A

A

L

L

A

R

W

W

A

N

L

I

Q

Q

L

M

G

G

Y

H

A

S

V

V

I
x
L

P
|
P

S
x
K

S
|
S

T
|
T

K

N

R

E

E

E

N
x
R

L

I

A

K

S

Q

N
|
N

L

L

L

D

A

V

R

Y

G

D

L

W

T

S

L

I

D

P

T

D

D

D

D

L

M

L

A

A

R

K

I

F

A

S

K

E

L

I

E

K

R

Q

binding glyphosate: Y48 (= Y39), W79 (= W66), H110 (= H97), W111 (= W98)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G18 (= G9), T19 (= T10), W20 (≠ F11), D43 (= D34), Y48 (= Y39), H110 (= H97), Q175 (= Q152), Y201 (= Y178), S202 (≠ M179), P203 (≠ T180), L204 (= L181), S206 (≠ Y183), P207 (vs. gap), A234 (= A204), L249 (≠ I219), P250 (= P220), K251 (≠ S221), S252 (= S222), T253 (= T223), R257 (≠ N227), N261 (= N231)

7f7lA Crystal structure of akr4c17 bound with NADPH
37% identity, 94% coverage: 3:252/267 of query aligns to 12:282/309 of 7f7lA

query
sites
7f7lA

V

I

P

P

S

S

F

V

G

G

L

L

G
|
G

T
|
T

F
x
W

R

Q

L

S

T

D

G

P

Q

G

T

V

V

V

I

G

D

D

S

A

V

V

K

Y

S

T

A

A

L

V

A

K

V

A

G

G

Y

Y

R

R

V

H

I

I

D
|
D

T

C

A

A

Q

K

I

V

Y
|
Y

K

G

N

N

E

E

A

K

E

E

V

I

G

G

Q

L

A

A

I

L

A

K

-

K

-

L

-

F

-

E

E

E

S

G

G

V

V

V

P

K

R

R

S

E

E

D

L

L

F

F

I

I

T

T

T

S

K

K

I

L

W

W

V

N

D

D

N

R

Y

H

A

A

A

P

D

E

K

D

L

V

I

P

P

E

S

A

L

L

R

N

D

E

S

S

L

L

Q

T

K

D

L

L

R

Q

T

L

D

D

Y

Y

V

L

D

D

L

L

L

Y

L

L

I

I

H
|
H

W

W

P

P

-

F

-

R

-

V

-

K

-

G

-

T

-

N

-

T

A

S

P

P

G

E

N

N

G

F

V

I

-

T

-

P

E

D

L

I

P

P

E

A

Y

T

M

W

K

G

A

A

L

M

A

E

D

K

A

C

K

Y

Q

D

Q

A

G

G

L

K

A

A

R

R

Q

A

I

I

G

G

V

V

S
|
S

N

N

F

F

N

S

I

S

E

K

L

K

T

L

R

G

Q

D

A

L

I

L

A

A

V

V

V

A

G

-

K

R

G

V

E

H

I

P

A

A

T

V

N

D

Q
|
Q

I

V

E

E

L

C

S

H

P

P

Y

G

L

W

Q

Q

N

Q

S

T

K

K

L

L

T

H

A

N

F

F

L

C

K

Q

E

S

Q

T

G

G

I

V

T

H

V

L

T

T

S

A

Y
|
Y

M
x
S

T
x
P

L
|
L

A

G

Y
x
S

-
x
P

-
x
G

-

T

-

W

-

M

-

N

G

G

K

N

V

V

L

L

K

K

D

E

P

P

V

V

L

I

A

I

Q

S

I

I

A

A

A

E

K

K

H

L

K

G

A

K

T

T

V

P

A
|
A

Q

Q

V

V

A

A

L

L

A

R

W

W

A

N

L

I

Q

Q

L

M

G

G

Y

H

A

S

V

V

I
x
L

P
|
P

S
x
K

S
|
S

T
|
T

K

N

R

E

E

E

N
x
R

L

I

A

K

S

Q

N
|
N

L

L

L

D

A

V

R

Y

G

D

L

W

T

S

L

I

D

P

T

D

D

D

D

L

M

L

A

A

R

K

I

F

A

S

K

E

L

I

E

K

R

Q

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G18 (= G9), T19 (= T10), W20 (≠ F11), D43 (= D34), Y48 (= Y39), H110 (= H97), S153 (= S129), Q175 (= Q152), Y201 (= Y178), S202 (≠ M179), P203 (≠ T180), L204 (= L181), S206 (≠ Y183), P207 (vs. gap), G208 (vs. gap), A234 (= A204), L249 (≠ I219), P250 (= P220), K251 (≠ S221), S252 (= S222), T253 (= T223), R257 (≠ N227), N261 (= N231)

7f7kB Crystal structure of akr4c17 bound with NADP+
37% identity, 94% coverage: 3:252/267 of query aligns to 13:283/310 of 7f7kB

query
sites
7f7kB

V

I

P

P

S

S

F

V

G

G

L

L

G
|
G

T
|
T

F
x
W

R

Q

L

S

T

D

G

P

Q

G

T

V

V

V

I

G

D

D

S

A

V

V

K

Y

S

T

A

A

L

V

A

K

V

A

G

G

Y

Y

R

R

V

H

I

I

D
|
D

T

C

A

A

Q

K

I

V

Y
|
Y

K

G

N

N

E

E

A

K

E

E

V

I

G

G

Q

L

A

A

I

L

A

K

-

K

-

L

-

F

-

E

E

E

S

G

G

V

V

V

P

K

R

R

S

E

E

D

L

L

F

F

I

I

T

T

T

S

K

K

I

L

W

W

V

N

D

D

N

R

Y

H

A

A

A

P

D

E

K

D

L

V

I

P

P

E

S

A

L

L

R

N

D

E

S

S

L

L

Q

T

K

D

L

L

R

Q

T

L

D

D

Y

Y

V

L

D

D

L

L

L

Y

L

L

I

I

H
|
H

W

W

P

P

-

F

-

R

-

V

-

K

-

G

-

T

-

N

-

T

A

S

P

P

G

E

N

N

G

F

V

I

-

T

-

P

E

D

L

I

P

P

E

A

Y

T

M

W

K

G

A

A

L

M

A

E

D

K

A

C

K

Y

Q

D

Q

A

G

G

L

K

A

A

R

R

Q

A

I

I

G

G

V

V

S
|
S

N

N

F

F

N

S

I

S

E

K

L

K

T

L

R

G

Q

D

A

L

I

L

A

A

V

V

V

A

G

-

K

R

G

V

E

H

I

P

A

A

T

V

N

D

Q
|
Q

I

V

E

E

L

C

S

H

P

P

Y

G

L

W

Q

Q

N

Q

S

T

K

K

L

L

T

H

A

N

F

F

L

C

K

Q

E

S

Q

T

G

G

I

V

T

H

V

L

T

T

S

A

Y
|
Y

M
x
S

T
x
P

L
|
L

A

G

Y
x
S

-
x
P

-
x
G

-

T

-

W

-

M

-

N

G

G

K

N

V

V

L

L

K

K

D

E

P

P

V

V

L

I

A

I

Q

S

I

I

A

A

A

E

K

K

H

L

K

G

A

K

T

T

V

P

A
|
A

Q

Q

V

V

A

A

L

L

A

R

W

W

A

N

L

I

Q

Q

L

M

G

G

Y

H

A

S

V

V

I
x
L

P
|
P

S
x
K

S
|
S

T

T

K

N

R

E

E

E

N
x
R

L

I

A

K

S

Q

N
|
N

L

L

L

D

A

V

R

Y

G

D

L

W

T

S

L

I

D

P

T

D

D

D

D

L

M

L

A

A

R

K

I

F

A

S

K

E

L

I

E

K

R

Q

binding nadp nicotinamide-adenine-dinucleotide phosphate: G19 (= G9), T20 (= T10), W21 (≠ F11), D44 (= D34), Y49 (= Y39), H111 (= H97), S154 (= S129), Q176 (= Q152), Y202 (= Y178), S203 (≠ M179), P204 (≠ T180), L205 (= L181), S207 (≠ Y183), P208 (vs. gap), G209 (vs. gap), A235 (= A204), L250 (≠ I219), P251 (= P220), K252 (≠ S221), S253 (= S222), R258 (≠ N227), N262 (= N231)

Query Sequence

>PP_2368 FitnessBrowser__Putida:PP_2368
MSVPSFGLGTFRLTGQTVIDSVKSALAVGYRVIDTAQIYKNEAEVGQAIAESGVPRSELF
ITTKIWVDNYAADKLIPSLRDSLQKLRTDYVDLLLIHWPAPGNGVELPEYMKALADAKQQ
GLARQIGVSNFNIELTRQAIAVVGKGEIATNQIELSPYLQNSKLTAFLKEQGITVTSYMT
LAYGKVLKDPVLAQIAAKHKATVAQVALAWALQLGYAVIPSSTKRENLASNLLARGLTLD
TDDMARIAKLERNGREVSPDGLAPTWD

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