SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_010632153.1 NCBI__GCF_000246965.1:WP_010632153.1 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)

3ijrF 2.05 angstrom resolution crystal structure of a short chain dehydrogenase from bacillus anthracis str. 'Ames ancestor' in complex with NAD+
57% identity, 88% coverage: 34:309/314 of query aligns to 10:285/290 of 3ijrF

query
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3ijrF

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active site: G57 (= G81), S182 (= S206), L192 (= L216), Y195 (= Y219), K199 (= K223), K240 (≠ D264)
binding magnesium ion: D55 (= D79), S56 (= S80), E80 (= E104)
binding nicotinamide-adenine-dinucleotide: P21 (= P45), D55 (= D79), S56 (= S80), G57 (= G81), I58 (= I82), Y77 (= Y101), L78 (= L102), E80 (= E104), G103 (= G127), D104 (= D128), L105 (≠ V129), N131 (≠ H155), V132 (= V156), A133 (≠ G157), Q134 (≠ I158), I155 (≠ V179), T180 (= T204), S182 (= S206), Y195 (= Y219), K199 (= K223), P225 (= P249), G226 (= G250), P227 (≠ S251), I228 (≠ T252), T230 (= T254), L232 (= L256)

3i3oA 2.06 angstrom resolution crystal structure of a short chain dehydrogenase from bacillus anthracis str. 'Ames ancestor' in complex with NAD-acetone
57% identity, 88% coverage: 34:309/314 of query aligns to 2:277/282 of 3i3oA

query
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active site: G49 (= G81), S174 (= S206), L184 (= L216), Y187 (= Y219), K191 (= K223), K232 (≠ D264)
binding magnesium ion: D47 (= D79), S48 (= S80), E72 (= E104)
binding nicotinamide adenine dinucleotide acetone adduct: G45 (= G77), D47 (= D79), S48 (= S80), G49 (= G81), I50 (= I82), Y69 (= Y101), L70 (= L102), E72 (= E104), G95 (= G127), D96 (= D128), L97 (≠ V129), N123 (≠ H155), V124 (= V156), A125 (≠ G157), Q126 (≠ I158), Q127 (= Q159), I147 (≠ V179), T172 (= T204), S174 (= S206), Y187 (= Y219), K191 (= K223), P217 (= P249), G218 (= G250), I220 (≠ T252), T222 (= T254), L224 (= L256)

3r3sA Structure of the ygha oxidoreductase from salmonella enterica
49% identity, 87% coverage: 37:310/314 of query aligns to 15:289/292 of 3r3sA

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active site: G58 (= G81), S184 (= S206), L194 (= L216), Y197 (= Y219), K201 (= K223), Q242 (≠ A263)
binding magnesium ion: D56 (= D79), S57 (= S80), E82 (= E104)
binding nicotinamide-adenine-dinucleotide: D56 (= D79), S57 (= S80), G58 (= G81), I59 (= I82), L79 (= L102), E82 (= E104), D106 (= D128), L107 (≠ V129), V133 (≠ H155), A134 (≠ V156), G135 (= G157), S184 (= S206), Y197 (= Y219), K201 (= K223), P227 (= P249), G228 (= G250), I230 (≠ T252), T232 (= T254), L234 (= L256), Q235 (= Q257)

P0AG84 Uncharacterized oxidoreductase YghA; EC 1.-.-.- from Escherichia coli (strain K12) (see paper)
48% identity, 87% coverage: 37:310/314 of query aligns to 17:291/294 of P0AG84

query
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P0AG84

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K39 (≠ P60) modified: N6-acetyllysine

5jydB Crystal structure of a putative short chain dehydrogenase from burkholderia cenocepacia
48% identity, 87% coverage: 37:309/314 of query aligns to 15:288/292 of 5jydB

query
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5jydB

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T

T

G
|
G

G

G

D
|
D

S
|
S

G
|
G

I
|
I

G

G

A

R

A

A

V

A

A

A

I

I

A

A

F

F

A

A

K

R

E

E

G

G

A

A

D

D

V

V

A

A

I

I

S

G

Y

Y

L
|
L

D

P

-

V

E
|
E

H

E

E

S

D

D

A

A

N

R

R

E

T

V

K

V

A

A

R

L

I

I

E

R

Q

A

L

A

G

G

Q

R

R

Q

S

A

I

V

L

A

L

L

P

P

G

G

D
|
D

V
x
I

R

R

D

D

K

E

I

T

Q

F

C

C

I

Q

S

R

I

L

V

V

E

A

Q

R

T

A

I

A

Q

E

S

A

F

L

G

G

R

G

L

L

D

D

I

I

L

L

V

V

N

N

H
x
N

V
x
A

G
x
A

I

R

Q

Q

F

Q

Q

A

Q

L

P

D

S

S

L

I

L

G

D

E

I

M

T

T

D

T

E

E

Q

H

F

F

D

D

D

A

T

T

F

V

K

K

V

T

N

N

I

L

Y

Y

S

G

H

M

F

F

Y

W

T

I

T

T

R

K

T

A

A

A

L

I

P

P

Y

H

L

L

K

P

P

P

G

G

S

A

S

S

I

I

N

N

T
|
T

S

T

S
|
S

V

V

T

Q

A

A

F

V

K

R

G

A

P

S

S

A

Q

N

L
|
L

I

L

D

D

Y
|
Y

T

A

S

T

T

T

K
|
K

A

A

A

G

I

I

G

A

F

F

T

T

R

R

A

S

L

L

A

A

N

K

N

Q

L

L

I

G

D

P

K

R

G

G

I

I

R

R

V

V

N

N

A

A

V

V

A

A

P
|
P

G
|
G

S
x
P

T
x
Y

W

W

T
|
T

P

P

L
|
L

Q
|
Q

P

S

S

S

T

G

Y

G

S

Q

A

P

D
x
P

Q

E

V

T

A

V

I

V

-

N

L

Y

G

A

S

A

G

G

N

S

P

P

M

Y

R

G

R

R

M

P

A

G

Q

Q

P

P

F

A

E

E

L

I

A

A

P

P

A

L

Y

Y

V

V

Y

A

L

L

A

A

S

A

D

S

D

E

S

T

R

S

F

Y

V

A

T

N

G

G

Q

Q

T

V

I

W

H

G

V

A

N

D

G

G

active site: G58 (= G81), S184 (= S206), L194 (= L216), Y197 (= Y219), K201 (= K223), P242 (≠ D264)
binding magnesium ion: D56 (= D79), S57 (= S80), E82 (= E104)
binding nicotinamide-adenine-dinucleotide: G54 (= G77), D56 (= D79), S57 (= S80), G58 (= G81), I59 (= I82), L79 (= L102), E82 (= E104), D106 (= D128), I107 (≠ V129), N133 (≠ H155), A134 (≠ V156), A135 (≠ G157), T182 (= T204), S184 (= S206), Y197 (= Y219), K201 (= K223), P227 (= P249), G228 (= G250), P229 (≠ S251), Y230 (≠ T252), T232 (= T254), L234 (= L256), Q235 (= Q257)

7v0hG Crystal structure of putative glucose 1-dehydrogenase from burkholderia cenocepacia in complex with NADP and a potential reaction product
38% identity, 77% coverage: 67:309/314 of query aligns to 8:251/253 of 7v0hG

query
sites
7v0hG

K

K

L

L

T

A

G

G

K

K

V

V

A

A

L

I

I

V

T

T

G
|
G

G

A

D
x
S

S
x
K

G
|
G

I
|
I

G

G

A

A

V

I

A

A

I

K

A

A

F

L

A

A

K

D

E

E

G

G

A

A

D

A

V

V

A

V

I

V

S

N

Y

Y

L
x
A

D
x
S

E
x
S

H

K

E

A

D

G

A

A

N

D

R

A

T

V

K

V

A

S

R

A

I

I

E

T

Q

E

L

A

G

G

Q

G

R

R

S

A

I

V

L

A

L

V

P

G

G
|
G

D
|
D

V
|
V

R

S

D

K

K

A

I

A

Q

D

C

A

I

Q

S

R

I

I

V

V

E

D

Q

T

T

A

I

I

Q

E

S

T

F

Y

G

G

R

R

L

L

D

D

I

V

L

L

V

V

N

N

H
x
N

V
x
S

G
|
G

I

V

Q

-

F
x
Y

Q

E

Q

F

P

A

S

P

L

I

L

E

D

A

I

I

T

T

D

E

E

E

Q

H

F

Y

D

R

T

Q

F

F

K

D

V

T

N

N

I

V

Y

F

S

G

H

V

F

L

Y

L

T

T

R

Q

T

A

A

A

L

V

P

K

Y

H

L

L

K

G

P

E

G

G

S

A

S

S

I

I

N

N

T
x
I

S

S

S
|
S

V

V

T

V

A

T

F

S

K

I

G

T

P

P

S

P

Q

A

L

S

I

A

D

V

Y
|
Y

T

S

S

G

T

T

K
|
K

A

G

A

A

I

V

I

D

G

A

F

I

T

T

R

G

A

V

L

L

A

A

N

L

N

E

L

L

I

G

D

P

K

R

G

K

I

I

R

R

V

V

N

N

A

A

V

I

A

N

P
|
P

G
|
G

S
x
M

T
x
I

W

V

T
|
T

P

-

L

-

Q

-

P

E

S
x
G

T
|
T

Y

H

S

S

A

A

D

G

-
x
I

-

I

-

G

-

S

-

D

-

L

Q

E

V

A

A

Q

I

V

L

L

G

G

S

Q

G

-

N

T

P

P

M

L

R

G

R

R

M

L

A

G

Q

E

P

P

F

N

E

D

L

I

A

A

P

S

A

V

Y

A

V

V

Y

F

L

L

A

A

S

S

D

D

S

A

R

R

F

W

V

M

T

T

G

G

Q

E

T

H

I

L

H

V

V

V

N

S

G

G

binding nadp nicotinamide-adenine-dinucleotide phosphate: G18 (= G77), S20 (≠ D79), K21 (≠ S80), G22 (= G81), I23 (= I82), A43 (≠ L102), S44 (≠ D103), S45 (≠ E104), G68 (= G127), D69 (= D128), V70 (= V129), N96 (≠ H155), S97 (≠ V156), G98 (= G157), Y100 (≠ F160), I144 (≠ T204), S146 (= S206), Y159 (= Y219), K163 (= K223), P189 (= P249), G190 (= G250), M191 (≠ S251), I192 (≠ T252), T194 (= T254), G196 (≠ S259), T197 (= T260)
binding (2R)-2-(hydroxymethyl)pentanedioic acid: S146 (= S206), Y159 (= Y219), M191 (≠ S251), I202 (vs. gap)

Q5P5I4 (S)-1-Phenylethanol dehydrogenase; EC 1.1.1.311 from Aromatoleum aromaticum (strain DSM 19018 / LMG 30748 / EbN1) (Azoarcus sp. (strain EbN1)) (see 2 papers)
41% identity, 77% coverage: 67:309/314 of query aligns to 4:245/249 of Q5P5I4

query
sites
Q5P5I4

K

R

L

L

T

K

G

D

K

K

V

L

A

A

L

V

I

I

T

T

G

G

D

A

S
x
N

G
|
G

I
|
I

G

G

A

R

A

A

V

I

A

A

I

E

A

R

F

F

A

A

K

V

E

E

G

G

A

A

D

D

V

I

A

A

I

I

S

A

Y
x
D

L

L

D

V

E

P

H

A

E

P

D

E

A

A

N

-

R

-

T

-

K

E

A

A

R

A

I

I

E

R

Q

N

L

L

G

G

Q

R

R

R

S

V

I

L

L

T

L

V

P

K

G
x
C

D
|
D

V
|
V

R

S

D

Q

K

P

I

G

Q

D

C

V

I

E

S

A

I

F

V

G

E

K

Q

Q

T

V

I

I

Q

S

S

T

F

F

G

G

R

R

L

C

D

D

I

I

L

L

V

V

N

N

H
x
N

V

A

G

G

I

I

Q
x
Y

F

P

Q

L

Q

I

P

P

S

-

L

F

L

D

D

E

I

L

T

T

D

F

E

E

Q

Q

F

W

D

K

T

T

F

F

K

E

V

I

N

N

I

V

Y

D

S

S

H

G

F

F

Y

L

T

M

T

A

R

K

T

A

A

F

L

V

P

P

Y

G

L

M

K

K

P

R

G

N

S

G

-

W

-

G

S

R

I

I

N

N

T

L

S

T

S

S

V

T

T

T

A

Y

F

W

K

L

G

K

P

I

S

E

Q

A

L

Y

I

T

D

H

Y

Y

T

I

S

S

T

T

K
|
K

A

A

I

N

I

I

G

G

F

F

T

T

R

R

A

A

L

L

A

A

N

S

N

D

L

L

I

G

D

K

K

D

G

G

I

I

R

T

V

V

N

N

A

A

V

I

A

A

P
|
P

G
x
S

S
x
L

T
x
V

W

R

T

T

P

A

-
x
T

L

T

Q

E

P

A

S

S

T

A

Y

L

S

S

A

A

D

M

Q

F

V

D

A

V

I

L

L

P

G

N

S

M

G

L

N

Q

P

A

M

I

R

P

R

R

M

L

A

Q

Q

V

P

P

F

L

E

D

L

L

A

T

P

G

A

A

Y

A

V

A

Y

F

L

L

A

A

S

S

D

D

S

A

R

S

F

F

V

I

T

T

G

G

Q

Q

T

T

I

L

H

A

V

V

N

D

G

G

NGI 17:19 (≠ SGI 80:82) binding NAD(+)
D38 (≠ Y101) binding NAD(+)
CDV 61:63 (≠ GDV 127:129) binding NAD(+)
N89 (≠ H155) binding NAD(+)
Y93 (≠ Q159) binding NAD(+)
K158 (= K223) binding NAD(+)
PSLV 184:187 (≠ PGST 249:252) binding NAD(+)
T191 (vs. gap) binding NAD(+)

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

2ewmB Crystal structure of the (s)-specific 1-phenylethanol dehydrogenase of the denitrifying bacterium strain ebn1 (see paper)
41% identity, 77% coverage: 67:309/314 of query aligns to 2:243/247 of 2ewmB

query
sites
2ewmB

K

R

L

L

T

K

G

D

K

K

V

L

A

A

L

V

I

I

T

T

G
|
G

G

G

D

A

S
x
N

G
|
G

I
|
I

G

G

A

R

A

A

V

I

A

A

I

E

A

R

F

F

A

A

K

V

E

E

G

G

A

A

D

D

V

I

A

A

I

I

S

A

Y
x
D

L
|
L

D

V

E

P

H

A

E

P

D

E

A

A

N

-

R

-

T

-

K

E

A

A

R

A

I

I

E

R

Q

N

L

L

G

G

Q

R

R

R

S

V

I

L

L

T

L

V

P

K

G
x
C

D
|
D

V
|
V

R

S

D

Q

K

P

I

G

Q

D

C

V

I

E

S

A

I

F

V

G

E

K

Q

Q

T

V

I

I

Q

S

S

T

F

F

G

G

R

R

L

C

D

D

I

I

L

L

V

V

N

N

H
x
N

V

A

G

G

I

I

Q

Y

F

P

Q

L

Q

I

P

P

S

-

L

F

L

D

D

E

I

L

T

T

D

F

E

E

Q

Q

F

W

D

K

T

T

F

F

K

E

V

I

N

N

I

V

Y

D

S

S

H

G

F

F

Y

L

T

M

T

A

R

K

T

A

A

F

L

V

P

P

Y

G

L

M

K

K

P

R

G

N

S

G

-

W

-

G

S

R

I

I

N

N

T

L

S

T

S
|
S

V

T

T

T

A

Y

F

W

K

L

G

K

P

I

S

E

Q

A

L
x
Y

I

T

D

H

Y
|
Y

T

I

S

S

T

T

K
|
K

A

A

I

N

I

I

G

G

F

F

T

T

R

R

A

A

L

L

A

A

N

S

N

D

L

L

I

G

D

K

K

D

G

G

I

I

R

T

V

V

N

N

A

A

V

I

A

A

P
|
P

G
x
S

S
x
L

T
x
V

W

R

T

T

P

A

-
x
T

L

T

Q

E

P

A

S

S

T

A

Y

L

S

S

A

A

D

M

Q

F

V

D

A

V

I

L

L

P

G

N

S

M

G

L

N

Q

P

A

M

I

R

P

R

R

M

L

A

Q

Q

V

P

P

F

L

E

D

L

L

A

T

P

G

A

A

Y

A

V

A

Y

F

L

L

A

A

S

S

D

D

S

A

R

S

F

F

V

I

T

T

G

G

Q

Q

T

T

I

L

H

A

V

V

N

D

G

G

active site: G16 (= G81), S139 (= S206), Y149 (≠ L216), Y152 (= Y219), K156 (= K223)
binding nicotinamide-adenine-dinucleotide: G12 (= G77), N15 (≠ S80), G16 (= G81), I17 (= I82), D36 (≠ Y101), L37 (= L102), C59 (≠ G127), D60 (= D128), V61 (= V129), N87 (≠ H155), S139 (= S206), Y152 (= Y219), K156 (= K223), P182 (= P249), S183 (≠ G250), L184 (≠ S251), V185 (≠ T252), T189 (vs. gap)

4nbuB Crystal structure of fabg from bacillus sp (see paper)
37% identity, 77% coverage: 67:309/314 of query aligns to 4:241/244 of 4nbuB

query
sites
4nbuB

K

R

L

L

T

Q

G

D

K

K

V

V

A

A

L

I

I

I

T

T

G
|
G

G

A

D

A

S
x
N

G
|
G

I
|
I

G

G

A

L

A

E

V

A

A

A

I

R

A

V

F

F

A

M

K

K

E

E

G

G

A

A

D

K

V

V

A

V

I

I

S

A

Y
x
D

L
x
F

D

N

E

E

H

A

E

A

D

G

A

K

N

E

R

A

T

V

K

E

A

A

R

N

I

-

E

-

Q

-

L

-

G

-

Q

P

R

G

S

V

I

V

L

F

L

I

P

R

G
x
V

D
|
D

V
|
V

R

S

D

D

K

R

I

E

Q

S

C

V

I

H

S

R

I

L

V

V

E

E

Q

N

T

V

I

A

Q

E

S

R

F

F

G

G

R

K

L

I

D

D

I

I

L

L

V

I

N

N

H
x
N

V
x
A

G
|
G

I
|
I

Q

T

F

-

Q

R

Q
x
D

P

S

S

M

L

L

L

S

D
x
K

I

M

T

T

D

V

E

D

Q

Q

F

F

D

Q

T

V

F

I

K

N

V

V

N
|
N

I

L

Y

T

S

G

H

V

F

F

Y

H

T

C

T

T

R

Q

T

A

A

V

L

L

P

P

Y

Y

L

M

-

A

-

E

K

Q

P

G

G

K

S

G

S

K

I

I

N

N

T
|
T

S

S

S
|
S

V

V

T

T

A

G

F

T

K

Y

G

G

P
x
N

S
x
V

Q

G

L
x
Q

I

T

D

N

Y
|
Y

T

A

S

A

T

A

K
|
K

A

A

A

G

I

V

I

I

G

G

F

M

T

T

R

K

A

T

L

W

A

A

N

K

N

E

L

L

I

A

D

R

K

K

G

G

I

I

R

N

V

V

N

N

A

A

V

V

A

A

P
|
P

G

G

S
x
F

T
|
T

W

E

T
|
T

P

A

L
x
M

Q

-

P

V

S

A

T

E

Y

V

S

P

A

E

D

K

Q

V

V

I

A

E

I
x
K

L

M

G

K

S

A

G

Q

N

V

P

P

M

M

R

G

R

R

M

L

A

G

Q

K

P

P

F

E

E

D

L

I

A

A

P

N

A

A

Y

Y

V

L

Y

F

L

L

A

A

S

S

D

H

D

E

S

S

R

D

F

Y

V

V

T

N

G

G

Q

H

T

V

I

L

H

H

V

V

N

D

G

G

active site: G18 (= G81), N111 (= N180), S139 (= S206), Q149 (≠ L216), Y152 (= Y219), K156 (= K223)
binding acetoacetyl-coenzyme a: D93 (≠ Q162), K98 (≠ D167), S139 (= S206), N146 (≠ P213), V147 (≠ S214), Q149 (≠ L216), Y152 (= Y219), F184 (≠ S251), M189 (≠ L256), K200 (≠ I268)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G77), N17 (≠ S80), G18 (= G81), I19 (= I82), D38 (≠ Y101), F39 (≠ L102), V59 (≠ G127), D60 (= D128), V61 (= V129), N87 (≠ H155), A88 (≠ V156), G89 (= G157), I90 (= I158), T137 (= T204), S139 (= S206), Y152 (= Y219), K156 (= K223), P182 (= P249), F184 (≠ S251), T185 (= T252), T187 (= T254), M189 (≠ L256)

4fj1B Crystal structure of the ternary complex between a fungal 17beta- hydroxysteroid dehydrogenase (holo form) and genistein (see paper)
33% identity, 78% coverage: 66:309/314 of query aligns to 3:257/259 of 4fj1B

query
sites
4fj1B

G

G

K

R

L

L

T

D

G

G

K

K

V

V

A

A

L

L

I

V

T

T

G
|
G

G

S

D

G

S
x
R

G
|
G

I
|
I

G

G

A

A

V

V

A

A

I

V

A

H

F

L

A

G

K

R

E

L

G

G

A

A

D

K

V

V

A

V

I

V

S

N

Y

Y

L
x
A

D
x
N

E
x
S

H

T

E

K

D

D

A

A

N

E

R

K

T

V

K

V

A

S

R

E

I

I

E

K

Q

A

L

L

G

G

Q

S

R

D

S

A

I

I

L

A

L

I

P

K

G

A

D

D

V
x
I

R

R

D

Q

K

V

I

P

Q

E

C

I

I

V

S

K

I

L

V

F

E

D

Q

Q

T

A

I

V

Q

A

S

H

F

F

G

G

R

H

L

L

D

D

I

I

L

A

V

V

N

S

H
x
N

V
x
S

G
|
G

I

V

Q

-

F

V

Q

S

Q

F

P

G

S

H

L

L

L

K

D

D

I

V

T

T

D

E

E

E

Q

E

F

F

D

D

D

R

T

V

F

F

K

S

V
x
L

N

N

I

T

Y

R

S

G

H

Q

F

F

Y

F

T

V

T

A

R

R

T

E

A

A

L

Y

P

R

Y

H

L

L

K

T

P

E

G

G

S

G

S

R

I

I

I

V

N

L

T
|
T

S

S

S
|
S

V
x
N

T

T

A

S

-

K

-

D

F

F

K

S

G

V

P

P

S

K

Q
x
H

L

S

I

L

D

-

Y
|
Y

T

S

S

G

T

S

K
|
K

A

G

A

A

I

V

I

D

G

S

F

F

T

V

R

R

A

I

L

F

A

S

N

K

N

D

L

C

I

G

D

D

K

K

G

K

I

I

R

T

V

V

N

N

A

A

V

V

A

A

P

P

G
|
G

S
x
G

T
|
T

W

V

T
|
T

P

D

L
x
M

-
x
F

-

H

-

E

-

V

-
x
S

-

H

-
x
Y

-
x
I

-

P

Q

N

P

G

S

T

T

S

Y

Y

S

T

A

A

D

E

Q

Q

V

R

A

Q

I

Q

L
x
M

G
x
A

S

A

-

H

G

A

N

S

P

P

M

L

R

H

R

R

M

N

A

G

Q

W

P

P

F

Q

E

D

L

V

A

A

P

N

A

V

Y

V

V

G

Y

F

L

L

A

V

S

S

D

K

D

E

S

G

R

E

F

W

V

V

T

N

G

G

Q

K

T

V

I

L

H

T

V

L

N

D

G

G

active site: G18 (= G81), S142 (= S206), N143 (≠ V207), H153 (≠ Q215), Y156 (= Y219), K160 (= K223), Y201 (vs. gap)
binding genistein: G188 (≠ S251), F194 (vs. gap), S198 (vs. gap), Y201 (vs. gap), I202 (vs. gap), M216 (≠ L269), A217 (≠ G270)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G14 (= G77), R17 (≠ S80), G18 (= G81), I19 (= I82), A39 (≠ L102), N40 (≠ D103), S41 (≠ E104), I66 (≠ V129), N92 (≠ H155), S93 (≠ V156), G94 (= G157), L115 (≠ V179), T140 (= T204), S142 (= S206), Y156 (= Y219), K160 (= K223), G187 (= G250), T189 (= T252), T191 (= T254), M193 (≠ L256)

4fj2B Crystal structure of the ternary complex between a fungal 17beta- hydroxysteroid dehydrogenase (holo form) and biochanin a (see paper)
33% identity, 78% coverage: 66:309/314 of query aligns to 4:258/260 of 4fj2B

query
sites
4fj2B

G

G

K

R

L

L

T

D

G

G

K

K

V

V

A

A

L

L

I

V

T

T

G
|
G

G

S

D

G

S
x
R

G
|
G

I
|
I

G

G

A

A

V

V

A

A

I

V

A

H

F

L

A

G

K

R

E

L

G

G

A

A

D

K

V

V

A

V

I

V

S

N

Y

Y

L
x
A

D
x
N

E
x
S

H

T

E

K

D

D

A

A

N

E

R

K

T

V

K

V

A

S

R

E

I

I

E

K

Q

A

L

L

G

G

Q

S

R

D

S

A

I

I

L

A

L

I

P

K

G

A

D

D

V
x
I

R

R

D

Q

K

V

I

P

Q

E

C

I

I

V

S

K

I

L

V

F

E

D

Q

Q

T

A

I

V

Q

A

S

H

F

F

G

G

R

H

L

L

D

D

I

I

L

A

V

V

N

S

H
x
N

V
x
S

G
|
G

I

V

Q

-

F

V

Q

S

Q

F

P

G

S

H

L

L

L

K

D

D

I

V

T

T

D

E

E

E

Q

E

F

F

D

D

D

R

T

V

F

F

K

S

V
x
L

N

N

I

T

Y

R

S

G

H

Q

F

F

Y

F

T

V

T

A

R

R

T

E

A

A

L

Y

P

R

Y

H

L

L

K

T

P

E

G

G

S

G

S

R

I

I

I

V

N

L

T
|
T

S

S

S
|
S

V
x
N

T

T

A

S

-

K

-

D

F

F

K

S

G

V

P

P

S

K

Q
x
H

L

S

I

L

D

-

Y
|
Y

T

S

S

G

T

S

K
|
K

A

G

A

A

I

V

I

D

G

S

F

F

T

V

R

R

A

I

L

F

A

S

N

K

N

D

L

C

I

G

D

D

K

K

G

K

I

I

R

T

V

V

N

N

A

A

V

V

A

A

P

P

G
|
G

S
x
G

T
|
T

W

V

T
|
T

P

D

L
x
M

-
x
F

-

H

-

E

-
x
V

-
x
S

-

H

-
x
Y

-
x
I

-

P

Q

N

P

G

S

T

T

S

Y

Y

S

T

A

A

D

E

Q

Q

V

R

A

Q

I

Q

L
x
M

G
x
A

S

A

-

H

G

A

N

S

P

P

M

L

R

H

R

R

M

N

A

G

Q

W

P

P

F

Q

E

D

L

V

A

A

P

N

A

V

Y

V

V

G

Y

F

L

L

A

V

S

S

D

K

D

E

S

G

R

E

F

W

V

V

T

N

G

G

Q

K

T

V

I

L

H

T

V

L

N

D

G

G

active site: G19 (= G81), S143 (= S206), N144 (≠ V207), H154 (≠ Q215), Y157 (= Y219), K161 (= K223), Y202 (vs. gap)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G77), R18 (≠ S80), G19 (= G81), I20 (= I82), A40 (≠ L102), N41 (≠ D103), S42 (≠ E104), I67 (≠ V129), N93 (≠ H155), S94 (≠ V156), G95 (= G157), L116 (≠ V179), T141 (= T204), Y157 (= Y219), K161 (= K223), G188 (= G250), G189 (≠ S251), T190 (= T252), T192 (= T254), M194 (≠ L256)
binding 5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one: G189 (≠ S251), F195 (vs. gap), V198 (vs. gap), S199 (vs. gap), Y202 (vs. gap), I203 (vs. gap), M217 (≠ L269), A218 (≠ G270)

3qwiA Crystal structure of a 17beta-hydroxysteroid dehydrogenase (holo form) from fungus cochliobolus lunatus in complex with NADPH and coumestrol (see paper)
33% identity, 78% coverage: 66:309/314 of query aligns to 4:258/260 of 3qwiA

query
sites
3qwiA

G

G

K

R

L

L

T

D

G

G

K

K

V

V

A

A

L

L

I

V

T

T

G
|
G

G

S

D

G

S
x
R

G
|
G

I
|
I

G

G

A

A

V

V

A

A

I

V

A

H

F

L

A

G

K

R

E

L

G

G

A

A

D

K

V

V

A

V

I

V

S

N

Y

Y

L
x
A

D
x
N

E
x
S

H

T

E

K

D

D

A

A

N

E

R

K

T

V

K

V

A

S

R

E

I

I

E

K

Q

A

L

L

G

G

Q

S

R

D

S

A

I

I

L

A

L

I

P

K

G

A

D

D

V
x
I

R

R

D

Q

K

V

I

P

Q

E

C

I

I

V

S

K

I

L

V

F

E

D

Q

Q

T

A

I

V

Q

A

S

H

F

F

G

G

R

H

L

L

D

D

I

I

L

A

V

V

N

S

H
x
N

V
x
S

G
|
G

I

V

Q

-

F

V

Q

S

Q

F

P

G

S

H

L

L

L

K

D

D

I

V

T

T

D

E

E

E

Q

E

F

F

D

D

D

R

T

V

F

F

K

S

V
x
L

N

N

I

T

Y

R

S

G

H

Q

F

F

Y

F

T

V

T

A

R

R

T

E

A

A

L

Y

P

R

Y

H

L

L

K

T

P

E

G

G

S

G

S

R

I

I

I

V

N

L

T
|
T

S

S

S
|
S

V
x
N

T

T

A

S

-

K

-

D

F
|
F

K

S

G

V

P

P

S

K

Q
x
H

L

S

I

L

D

-

Y
|
Y

T

S

S

G

T

S

K
|
K

A

G

A

A

I

V

I

D

G

S

F

F

T

V

R

R

A

I

L

F

A

S

N

K

N

D

L

C

I

G

D

D

K

K

G

K

I

I

R

T

V

V

N

N

A

A

V

V

A

A

P
|
P

G
|
G

S
x
G

T
|
T

W

V

T
|
T

P

D

L
x
M

-

F

-

H

-

E

-

V

-

S

-

H

-
x
Y

-
x
I

-

P

Q

N

P

G

S

T

T

S

Y

Y

S

T

A

A

D

E

Q

Q

V

R

A

Q

I

Q

L

M

G
x
A

S

A

-

H

G

A

N

S

P

P

M

L

R

H

R

R

M

N

A

G

Q

W

P

P

F

Q

E

D

L

V

A

A

P

N

A

V

Y

V

V

G

Y

F

L

L

A

V

S

S

D

K

D

E

S

G

R

E

F

W

V

V

T

N

G

G

Q

K

T

V

I

L

H

T

V

L

N

D

G

G

active site: G19 (= G81), S143 (= S206), N144 (≠ V207), H154 (≠ Q215), Y157 (= Y219), K161 (= K223), Y202 (vs. gap)
binding Coumestrol: F149 (= F210), G189 (≠ S251), M194 (≠ L256), Y202 (vs. gap), I203 (vs. gap), A218 (≠ G270)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G77), R18 (≠ S80), I20 (= I82), A40 (≠ L102), N41 (≠ D103), S42 (≠ E104), I67 (≠ V129), N93 (≠ H155), S94 (≠ V156), G95 (= G157), L116 (≠ V179), T141 (= T204), Y157 (= Y219), K161 (= K223), P187 (= P249), G188 (= G250), G189 (≠ S251), T190 (= T252), T192 (= T254), M194 (≠ L256)

3qwhA Crystal structure of the 17beta-hydroxysteroid dehydrogenase from cochliobolus lunatus in complex with NADPH and kaempferol (see paper)
33% identity, 78% coverage: 66:309/314 of query aligns to 4:258/260 of 3qwhA

query
sites
3qwhA

G

G

K

R

L

L

T

D

G

G

K

K

V

V

A

A

L

L

I

V

T

T

G
|
G

G

S

D

G

S
x
R

G
|
G

I
|
I

G

G

A

A

V

V

A

A

I

V

A

H

F

L

A

G

K

R

E

L

G

G

A

A

D

K

V

V

A

V

I

V

S

N

Y

Y

L
x
A

D
x
N

E
x
S

H

T

E

K

D

D

A

A

N

E

R

K

T

V

K

V

A

S

R

E

I

I

E

K

Q

A

L

L

G

G

Q

S

R

D

S

A

I

I

L

A

L

I

P

K

G

A

D
|
D

V
x
I

R

R

D

Q

K

V

I

P

Q

E

C

I

I

V

S

K

I

L

V

F

E

D

Q

Q

T

A

I

V

Q

A

S

H

F

F

G

G

R

H

L

L

D

D

I

I

L

A

V

V

N

S

H
x
N

V
x
S

G
|
G

I

V

Q

-

F

V

Q

S

Q

F

P

G

S

H

L

L

L

K

D

D

I

V

T

T

D

E

E

E

Q

E

F

F

D

D

D

R

T

V

F

F

K

S

V
x
L

N

N

I

T

Y

R

S

G

H

Q

F

F

Y

F

T

V

T

A

R

R

T

E

A

A

L

Y

P

R

Y

H

L

L

K

T

P

E

G

G

S

G

S

R

I

I

I

V

N

L

T
|
T

S

S

S
|
S

V
x
N

T

T

A

S

-

K

-

D

F
|
F

K

S

G

V

P

P

S

K

Q
x
H

L

S

I

L

D

-

Y
|
Y

T

S

S

G

T

S

K
|
K

A

G

A

A

I

V

I

D

G

S

F

F

T

V

R

R

A

I

L

F

A

S

N

K

N

D

L

C

I

G

D

D

K

K

G

K

I

I

R

T

V

V

N

N

A

A

V

V

A

A

P
|
P

G
|
G

S
x
G

T
|
T

W

V

T
|
T

P

D

L
x
M

-
x
F

-

H

-

E

-

V

-
x
S

-

H

-
x
Y

-
x
I

-

P

Q

N

P

G

S

T

T

S

Y

Y

S

T

A

A

D

E

Q

Q

V

R

A

Q

I

Q

L

M

G
x
A

S

A

-

H

G

A

N

S

P

P

M

L

R

H

R

R

M

N

A

G

Q

W

P

P

F

Q

E

D

L

V

A

A

P

N

A

V

Y

V

V

G

Y

F

L

L

A

V

S

S

D

K

D

E

S

G

R

E

F

W

V

V

T

N

G

G

Q

K

T

V

I

L

H

T

V

L

N

D

G

G

active site: G19 (= G81), S143 (= S206), N144 (≠ V207), H154 (≠ Q215), Y157 (= Y219), K161 (= K223), Y202 (vs. gap)
binding 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4h-chromen-4-one: N144 (≠ V207), F149 (= F210), G189 (≠ S251), F195 (vs. gap), S199 (vs. gap), Y202 (vs. gap), I203 (vs. gap), A218 (≠ G270)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G77), R18 (≠ S80), G19 (= G81), I20 (= I82), A40 (≠ L102), N41 (≠ D103), S42 (≠ E104), D66 (= D128), I67 (≠ V129), N93 (≠ H155), S94 (≠ V156), G95 (= G157), L116 (≠ V179), T141 (= T204), Y157 (= Y219), K161 (= K223), P187 (= P249), G188 (= G250), G189 (≠ S251), T190 (= T252), T192 (= T254), M194 (≠ L256)

4fj0D Crystal structure of the ternary complex between a fungal 17beta- hydroxysteroid dehydrogenase (holo form) and 3,7-dihydroxy flavone (see paper)
33% identity, 78% coverage: 66:309/314 of query aligns to 5:259/261 of 4fj0D

query
sites
4fj0D

G

G

K

R

L

L

T

D

G

G

K

K

V

V

A

A

L

L

I

V

T

T

G
|
G

G

S

D

G

S
x
R

G
|
G

I
|
I

G

G

A

A

V

V

A

A

I

V

A

H

F

L

A

G

K

R

E

L

G

G

A

A

D

K

V

V

A

V

I

V

S

N

Y

Y

L
x
A

D
x
N

E
x
S

H

T

E

K

D

D

A

A

N

E

R

K

T

V

K

V

A

S

R

E

I

I

E

K

Q

A

L

L

G

G

Q

S

R

D

S

A

I

I

L

A

L

I

P

K

G

A

D

D

V
x
I

R

R

D

Q

K

V

I

P

Q

E

C

I

I

V

S

K

I

L

V

F

E

D

Q

Q

T

A

I

V

Q

A

S

H

F

F

G

G

R

H

L

L

D

D

I

I

L

A

V

V

N

S

H
x
N

V
x
S

G
|
G

I

V

Q

-

F

V

Q

S

Q

F

P

G

S

H

L

L

L

K

D

D

I

V

T

T

D

E

E

E

Q

E

F

F

D

D

D

R

T

V

F

F

K

S

V
x
L

N

N

I

T

Y

R

S

G

H

Q

F

F

Y

F

T

V

T

A

R

R

T

E

A

A

L

Y

P

R

Y

H

L

L

K

T

P

E

G

G

S

G

S

R

I

I

I

V

N

L

T
|
T

S

S

S
|
S

V
x
N

T

T

A

S

-

K

-

D

F

F

K

S

G

V

P

P

S

K

Q
x
H

L

S

I

L

D

-

Y
|
Y

T

S

S

G

T

S

K
|
K

A

G

A

A

I

V

I

D

G

S

F

F

T

V

R

R

A

I

L

F

A

S

N

K

N

D

L

C

I

G

D

D

K

K

G

K

I

I

R

T

V

V

N

N

A

A

V

V

A

A

P
|
P

G
|
G

S
x
G

T
|
T

W

V

T
|
T

P

D

L
x
M

-
x
F

-

H

-

E

-

V

-
x
S

-

H

-
x
Y

-

I

-

P

Q

N

P

G

S

T

T

S

Y

Y

S

T

A

A

D

E

Q

Q

V

R

A

Q

I

Q

L

M

G
x
A

S

A

-

H

G

A

N

S

P

P

M

L

R

H

R

R

M

N

A

G

Q

W

P

P

F

Q

E

D

L

V

A

A

P

N

A

V

Y

V

V

G

Y

F

L

L

A

V

S

S

D

K

D

E

S

G

R

E

F

W

V

V

T

N

G

G

Q

K

T

V

I

L

H

T

V

L

N

D

G

G

active site: G20 (= G81), S144 (= S206), N145 (≠ V207), H155 (≠ Q215), Y158 (= Y219), K162 (= K223), Y203 (vs. gap)
binding 3,7-dihydroxy-2-phenyl-4H-chromen-4-one: S144 (= S206), N145 (≠ V207), G190 (≠ S251), F196 (vs. gap), S200 (vs. gap), Y203 (vs. gap), A219 (≠ G270)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G16 (= G77), R19 (≠ S80), G20 (= G81), I21 (= I82), A41 (≠ L102), N42 (≠ D103), S43 (≠ E104), I68 (≠ V129), N94 (≠ H155), S95 (≠ V156), G96 (= G157), L117 (≠ V179), T142 (= T204), Y158 (= Y219), K162 (= K223), P188 (= P249), G189 (= G250), G190 (≠ S251), T191 (= T252), T193 (= T254), M195 (≠ L256)

3osuA Crystal structure of the 3-oxoacyl-acyl carrier protein reductase, fabg, from staphylococcus aureus
34% identity, 77% coverage: 67:309/314 of query aligns to 2:243/246 of 3osuA

query
sites
3osuA

K

K

L

M

T

T

G

-

K

K

V

S

A

A

L

L

I

V

T

T

G

G

G

A

D

S

S

R

G
|
G

I

I

G

G

A

R

A

S

V

I

A

A

I

L

A

Q

F

L

A

A

K

E

E

E

G

G

A

Y

D

N

V

V

A

A

I

V

S

N

Y

Y

L

A

D

G

E

S

H

K

E

E

D

K

A

A

N

E

R

A

T

V

K

V

A

E

R

E

I

I

E

K

Q

A

L

K

G

G

Q

V

R

D

S

S

I

F

L

A

L

I

P

Q

G

A

D

N

V

V

R

A

D

D

K

A

I

D

Q

E

C

V

I

K

S

A

I

M

V

I

E

K

Q

E

T

V

I

V

Q

S

S

Q

F

F

G

G

R

S

L

L

D

D

I

V

L

L

V

V

N

N

H
x
N

V

A

G

G

I

I

Q

T

F

-

Q

R

Q

D

P

N

S

L

L

L

L

M

D

R

I

M

T

K

D

E

E

Q

Q

E

F

W

D

D

T

V

F

I

K

D

V

T

N

N

I

L

Y

K

S

G

H

V

F

F

Y

N

T

C

T

I

R

Q

T

K

A

A

L

T

P

P

Y

Q

L

M

-

L

-

R

K

Q

P

R

G

S

S

G

S

A

I

I

N

N

T

L

S

S

S
|
S

V

V

T

V

A

G

F

A

K

V

G

G

P

N

S

P

Q

G

L
x
Q

I

A

D

N

Y
|
Y

T

V

S

A

T

T

K
|
K

A

A

A

G

I

V

I

I

G

G

F

L

T

T

R

K

A

S

L

A

A

A

N

R

N

E

L

L

I

A

D

S

K

R

G

G

I

I

R

T

V

V

N

N

A

A

V

V

A

A

P

P

G

G

S

F

T

I

W

V

T

S

P

D

L

M

Q

T

P

D

S

A

T

L

Y

S

S

D

A

E

D

L

Q

K

V

E

A

Q

I

M

L

L

G

-

S

T

G

Q

N

I

P

P

M

L

R

A

R

R

M

F

A

G

Q

Q

P

D

F

T

E

D

L

I

A

A

P

N

A

T

Y

V

V

A

Y

F

L

L

A

A

S

S

D

D

D

K

S

A

R

K

F

Y

V

I

T

T

G

G

Q

Q

T

T

I

I

H

H

V

V

N

N

G

G

active site: G15 (= G81), S141 (= S206), Q151 (≠ L216), Y154 (= Y219), K158 (= K223)
binding magnesium ion: N89 (≠ H155), K158 (= K223)

3sj7A Structure of beta-ketoacetyl-coa reductase (fabg) from staphylococcus aureus complex with NADPH (see paper)
34% identity, 76% coverage: 71:309/314 of query aligns to 2:236/239 of 3sj7A

query
sites
3sj7A

K

K

V

S

A

A

L

L

I

V

T

T

G
|
G

G

A

D
x
S

S
x
R

G
|
G

I
|
I

G

G

A

R

A

S

V

I

A

A

I

L

A

Q

F

L

A

A

K

E

E

E

G

G

A

Y

D

N

V

V

A

A

I

V

S
x
N

Y
|
Y

L
x
A

D
x
G

E
x
S

H

K

E

E

D

K

A

A

N

E

R

A

T

V

K

V

A

E

R

E

I

I

E

K

Q

A

L

K

G

G

Q

V

R

D

S

S

I

F

L

A

L

I

P

Q

G
x
A

D
x
N

V
|
V

R

A

D

D

K

A

I

D

Q

E

C

V

I

K

S

A

I

M

V

I

E

K

Q

E

T

V

I

V

Q

S

S

Q

F

F

G

G

R

S

L

L

D

D

I

V

L

L

V

V

N

N

H
x
N

V
x
A

G

G

I

I

Q

T

F

-

Q

R

Q

D

P

N

S

L

L

L

L

M

D

R

I

M

T

K

D

E

E

Q

Q

E

F

W

D

D

T

V

F

I

K

D

V
x
T

N

N

I

L

Y

K

S

G

H

V

F

F

Y

N

T

C

T

I

R

Q

T

K

A

A

L

T

P

P

Y

Q

L

M

-

L

-

R

K

Q

P

R

G

S

S

G

S

A

I

I

N

N

T

L

S

S

S
|
S

V

V

T

V

A

G

F

A

K

V

G

G

P

N

S

P

Q

G

L
x
Q

I

A

D

N

Y
|
Y

T

V

S

A

T

T

K
|
K

A

A

A

G

I

V

I

I

G

G

F

L

T

T

R

K

A

S

L

A

A

A

N

R

N

E

L

L

I

A

D

S

K

R

G

G

I

I

R

T

V

V

N

N

A

A

V

V

A

A

P
|
P

G
|
G

S

F

T

I

W

V

T

S

P

D

L

M

Q

T

P

D

S

E

T

L

Y

K

S

E

A

Q

D

M

Q

L

V

T

A

Q

I

I

L

-

G

-

S

-

G

-

N

-

P

P

M

L

R

A

R

R

M

F

A

G

Q

Q

P

D

F

T

E

D

L

I

A

A

P

N

A

T

Y

V

V

A

Y

F

L

L

A

A

S

S

D

D

D

K

S

A

R

K

F

Y

V

I

T

T

G

G

Q

Q

T

T

I

I

H

H

V

V

N

N

G

G

active site: G12 (= G81), S138 (= S206), Q148 (≠ L216), Y151 (= Y219), K155 (= K223)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G8 (= G77), S10 (≠ D79), R11 (≠ S80), I13 (= I82), N31 (≠ S100), Y32 (= Y101), A33 (≠ L102), G34 (≠ D103), S35 (≠ E104), A58 (≠ G127), N59 (≠ D128), V60 (= V129), N86 (≠ H155), A87 (≠ V156), T109 (≠ V179), S138 (= S206), Y151 (= Y219), K155 (= K223), P181 (= P249), G182 (= G250)

7pcsB Structure of the heterotetrameric sdr family member bbscd (see paper)
36% identity, 76% coverage: 71:309/314 of query aligns to 5:241/247 of 7pcsB

query
sites
7pcsB

K

R

V

V

A

A

L

L

I

I

T

T

G
|
G

G

S

D

A

S

S

G

G

I
x
M

G

G

A

K

A

Q

V

T

A

A

I

L

A

R

F

F

A

A

K

E

E

Q

G

G

A

A

D

A

V

V

A

V

I

I

S

N

Y
x
D

L
x
I

D

D

E

-

H

-

E

-

D

-

A

A

N

E

R

K

T

V

K

R

A

A

R

T

I

V

E

D

Q

E

L

F

-

S

-

A

-

R

G

G

Q

H

R

R

S

V

I

L

L

G

L

A

P

V

G

A

D

D

V
x
I

R

G

D

N

K

K

I

A

Q

A

C

V

I

D

S

G

I

M

V

V

E

K

Q

Q

T

T

I

I

Q

D

S

A

F

F

G

G

R

R

L

I

D

D

I

I

L

L

V

V

N

N

H
x
N

V

A

G
|
G

I

M

Q

E

F

-

Q

R

Q

A

P

G

S

A

L

L

L

R

D

K

I

L

T

S

D

E

E

A

Q

D

F

W

D

D

D

V

T

T

F

I

K

N

V

V

N

N

I

L

Y

K

S

G

H

T

F

F

Y

L

T

C

T

T

R

Q

T

A

A

V

L

H

P

G

Y

H

L

M

-

V

-

E

K

N

P

K

G

H

S

G

S

R

I

I

I

V

N

N

T
x
I

S

A

S
|
S

V

R

T

A

A

W

F

L

K

G

G

G

P

A

S

G

Q

Q

L

-

I

T

D

P

Y
|
Y

T

S

S

S

T

A

K
|
K

A

A

A

G

I

V

G

G

F

M

T

T

R

R

A

A

L

L

A

A

N

I

N

E

L

L

I

G

D

R

K

A

G

G

I

I

R

T

V

V

N

N

A

C

V

V

A

A

P

P

G

G

S

L

T
x
I

W

H

T

T

P

P

L

M

Q

W

P

D

S

E

T

L

Y

P

S

E

A

K

D

D

Q

Q

V

Q

A

F

I

L

L

L

G

-

S

S

G

R

N

Q

P

P

M

T

R

G

R

K

M

L

A

G

Q

E

P

P

F

D

E

D

L

I

A

A

P

N

A

T

Y

L

V

L

Y

F

L

L

A

A

S

D

D

D

S

S

R

G

F

F

V

V

T

T

G

G

Q

Q

T

V

I

L

H

Y

V

V

N

C

G

G

binding nicotinamide-adenine-dinucleotide: G11 (= G77), M16 (≠ I82), D35 (≠ Y101), I36 (≠ L102), I62 (≠ V129), N88 (≠ H155), G90 (= G157), I138 (≠ T204), S140 (= S206), Y152 (= Y219), K156 (= K223), I185 (≠ T252)

Q9KJF1 (2S)-[(R)-hydroxy(phenyl)methyl]succinyl-CoA dehydrogenase subunit BbsD; (S,R)-2-(alpha-hydroxybenzyl)succinyl-CoA dehydrogenase subunit BbsD; EC 1.1.1.429 from Thauera aromatica (see 2 papers)
36% identity, 76% coverage: 71:309/314 of query aligns to 6:242/248 of Q9KJF1

query
sites
Q9KJF1

K

R

V

V

A

A

L

L

I

I

T

T

G

G

G

S

D

A

S
|
S

G

G

I

M

G

G

A

K

A

Q

V

T

A

A

I

L

A

R

F

F

A

A

K

E

E

Q

G

G

A

A

D

A

V

V

A

V

I

I

S

N

Y
x
D

L

I

D

D

E

-

H

-

E

-

D

-

A

A

N

E

R

K

T

V

K

R

A

A

R

T

I

V

E

D

Q

E

L

F

-

S

-

A

-

R

G

G

Q

H

R

R

S

V

I

L

L

G

L

A

P

V

G

A

D
|
D

V
x
I

R

G

D

N

K

K

I

A

Q

A

C

V

I

D

S

G

I

M

V

V

E

K

Q

Q

T

T

I

I

Q

D

S

A

F

F

G

G

R

R

L

I

D

D

I

I

L

L

V

V

N

N

H
x
N

V

A

G

G

I

M

Q

E

F

-

Q

R

Q

A

P

G

S

A

L

L

L

R

D

K

I

L

T

S

D

E

E

A

Q

D

F

W

D

D

D

V

T

T

F

I

K

N

V

V

N

N

I

L

Y

K

S

G

H

T

F

F

Y

L

T

C

T

T

R

Q

T

A

A

V

L

H

P

G

Y

H

L

M

-

V

-

E

K

N

P

K

G

H

S

G

S

R

I

I

I

V

N

N

T

I

S

A

S

S

V

R

T

A

A

W

F

L

K

G

G

G

P

A

S

G

Q

Q

L

-

I

T

D

P

Y
|
Y

T

S

S

S

T

A

K
|
K

A

A

A

G

I

V

G

G

F

M

T

T

R

R

A

A

L

L

A

A

N

I

N

E

L

L

I

G

D

R

K

A

G

G

I

I

R

T

V

V

N

N

A

C

V

V

A

A

P

P

G

G

S

L

T

I

W

H

T

T

P

P

L

M

Q

W

P

D

S

E

T

L

Y

P

S

E

A

K

D

D

Q

Q

V

Q

A

F

I

L

L

L

G

-

S

S

G

R

N

Q

P

P

M

T

R

G

R

K

M

L

A

G

Q

E

P

P

F

D

E

D

L

I

A

A

P

N

A

T

Y

L

V

L

Y

F

L

L

A

A

S

D

D

D

S

S

R

G

F

F

V

V

T

T

G

G

Q

Q

T

V

I

L

H

Y

V

V

N

C

G

G

S15 (= S80) binding NAD(+)
D36 (≠ Y101) binding NAD(+)
D62 (= D128) binding NAD(+)
I63 (≠ V129) binding NAD(+)
N89 (≠ H155) binding NAD(+)
Y153 (= Y219) binding NAD(+)
K157 (= K223) binding NAD(+)

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

8hfkA Crystal structure of cbar mutant (h162f) in complex with NADP+ and halogenated aryl ketone (see paper)
33% identity, 78% coverage: 66:309/314 of query aligns to 4:257/259 of 8hfkA

query
sites
8hfkA

G

G

K

R

L

L

T

D

G

G

K

K

V

V

A

A

L

L

I

V

T

T

G
|
G

G

S

D

G

S
x
R

G

G

I
|
I

G

G

A

A

V

V

A

A

I

V

A

H

F

L

A

G

K

L

E

L

G

G

A

A

D

K

V

V

A

V

I

V

S

N

Y

Y

L
x
A

D
x
N

E
x
S

H

P

E

T

D

H

A

A

N

Q

R

K

T

V

K

V

A

D

R

E

I

I

E

K

Q

Q

L

L

G

G

Q

S

R

D

S

A

I

I

L

A

L

I

P

K

G

A

D
|
D

V

V

R

R

D

Q

K

V

I

P

Q

E

C

I

I

V

S

R

I

L

V

F

E

D

Q

E

T

A

I

V

Q

A

S

H

F

F

G

G

R

Q

L

L

D

D

I

I

L

A

V

V

N

S

H
x
N

V
x
S

G

G

I

V

Q

-

F

V

Q

S

Q

F

P

G

S

H

L

L

L

K

D

D

I

V

T

T

D

E

E

E

Q

E

F

F

D

D

D

R

T

V

F

F

K

S

V
x
L

N

N

I

T

Y

R

S

G

H

Q

F

F

Y

F

T

V

T

A

R

R

T

E

A

A

L

Y

P

K

Y

H

L

L

K

N

P

N

G

G

S

G

S

R

I

I

N

M

T
|
T

S

S

S
|
S

V
x
N

T
|
T

A

S

F

R

K

D

G

S

P

V

S

P

Q

K

L
x
F

I

S

D

L

Y
|
Y

T

S

S

G

T

S

K
|
K

A

G

A

A

I

I

I

D

G

S

F

F

T

V

R

R

A

I

L

F

A

S

N

K

N

D

L

C

I

G

D

D

K

K

G

K

I

I

R

T

V

V

N

N

A

A

V

V

A

A

P
|
P

G
|
G

S
x
G

T
|
T

W

V

T
|
T

P

D

L
x
M

-

F

-

H

-

D

-
x
V

-

S

-

Q

-

H

-

Y

-

I

-

P

Q

N

P

G

S

E

T

T

Y

Y

S

T

A

P

D

E

Q

E

V

R

A

Q

I

K

L

M

G

A

S

A

-

H

G

A

N

S

P

P

M

L

R

H

R

R

M

N

A

G

Q

F

P

P

F

E

E

D

L

I

A

A

P

R

A

V

Y

V

V

G

Y

F

L

L

A

V

S

S

D

A

D

E

S

G

R

E

F

W

V

I

T

N

G

G

Q

K

T

V

I

L

H

T

V

V

N

D

G

G

binding 2-bromanyl-1-(4-bromanyl-2-oxidanyl-phenyl)ethanone: S143 (= S206), N144 (≠ V207), T145 (= T208), F153 (≠ L216), Y156 (= Y219), G187 (= G250), M193 (≠ L256), V197 (vs. gap)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G77), R18 (≠ S80), I20 (= I82), A40 (≠ L102), N41 (≠ D103), S42 (≠ E104), D66 (= D128), N93 (≠ H155), S94 (≠ V156), L116 (≠ V179), T141 (= T204), Y156 (= Y219), K160 (= K223), P186 (= P249), G187 (= G250), G188 (≠ S251), T189 (= T252), T191 (= T254), M193 (≠ L256)

Sites not aligning to the query:

binding 2-bromanyl-1-(4-bromanyl-2-oxidanyl-phenyl)ethanone: 259

7yb2D Crystal structure of anthrol reductase (cbar) in complex with NADP+ and emodin (see paper)
34% identity, 78% coverage: 66:309/314 of query aligns to 8:262/264 of 7yb2D

query
sites
7yb2D

G

G

K

R

L

L

T

D

G

G

K

K

V

V

A

A

L

L

I

V

T

T

G
|
G

G

S

D

G

S
x
R

G
|
G

I
|
I

G

G

A

A

V

V

A

A

I

V

A

H

F

L

A

G

K

L

E

L

G

G

A

A

D

K

V

V

A

V

I

V

S

N

Y
|
Y

L
x
A

D
x
N

E
x
S

H

P

E

T

D

H

A

A

N

Q

R

K

T

V

K

V

A

D

R

E

I

I

E

K

Q

Q

L

L

G

G

Q

S

R

D

S

A

I

I

L

A

L

I

P

K

G

A

D
|
D

V
|
V

R

R

D

Q

K

V

I

P

Q

E

C

I

I

V

S

R

I

L

V

F

E

D

Q

E

T

A

I

V

Q

A

S

H

F

F

G

G

R

Q

L

L

D

D

I

I

L

A

V

V

N

S

H
x
N

V
x
S

G

G

I

V

Q

-

F

V

Q

S

Q

F

P

G

S

H

L

L

L

K

D

D

I

V

T

T

D

E

E

E

Q

E

F

F

D

D

D

R

T

V

F

F

K

S

V
x
L

N

N

I

T

Y

R

S

G

H

Q

F

F

Y

F

T

V

T

A

R

R

T

E

A

A

L

Y

P

K

Y

H

L

L

K

N

P

N

G

G

S

G

S

R

I

I

N

M

T
|
T

S

S

S
|
S

V

N

T

T

A

S

-

R

-

D

F

F

K

S

G

V

P

P

S

K

Q

H

L

S

I

L

D

-

Y
|
Y

T

S

S

G

T

S

K
|
K

A

G

A

A

I

I

I

D

G

S

F

F

T

V

R

R

A

I

L

F

A

S

N

K

N

D

L

C

I

G

D

D

K

K

G

K

I

I

R

T

V

V

N

N

A

A

V

V

A

A

P
|
P

G
|
G

S
x
G

T
|
T

W

V

T
|
T

P

D

L
x
M

-
x
F

-

H

-

D

-
x
V

-
x
S

-

Q

-

H

-
x
Y

-

I

-

P

Q

N

P

G

S

E

T

T

Y

Y

S

T

A

P

D

E

Q

E

V

R

A

Q

I

K

L

M

G

A

S

A

-

H

G

A

N

S

P

P

M

L

R

H

R

R

M

N

A

G

Q

F

P

P

F

E

E

D

L

I

A

A

P

R

A

V

Y

V

V

G

Y

F

L

L

A

V

S

S

D

A

D

E

S

G

R

E

F

W

V

I

T

N

G

G

Q

K

T

V

I

L

H

T

V

V

N

D

G

G

binding 3-methyl-1,6,8-trihydroxyanthraquinone: S147 (= S206), Y161 (= Y219), G193 (≠ S251), M198 (≠ L256), F199 (vs. gap), V202 (vs. gap), S203 (vs. gap), Y206 (vs. gap)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G19 (= G77), R22 (≠ S80), G23 (= G81), I24 (= I82), Y43 (= Y101), A44 (≠ L102), N45 (≠ D103), S46 (≠ E104), D70 (= D128), V71 (= V129), N97 (≠ H155), S98 (≠ V156), L120 (≠ V179), T145 (= T204), S147 (= S206), Y161 (= Y219), K165 (= K223), P191 (= P249), G192 (= G250), T194 (= T252), T196 (= T254), M198 (≠ L256)

Query Sequence

>WP_010632153.1 NCBI__GCF_000246965.1:WP_010632153.1
MQQDEQNNQKKITDGNYPIYPNYGVITRYEDIPINVPEQRQLRQPGVERLMVPRPIIENP
EYRGSGKLTGKVALITGGDSGIGAAVAIAFAKEGADVAISYLDEHEDANRTKARIEQLGQ
RSILLPGDVRDKIQCISIVEQTIQSFGRLDILVNHVGIQFQQPSLLDITDEQFDDTFKVN
IYSHFYTTRTALPYLKPGSSIINTSSVTAFKGPSQLIDYTSTKAAIIGFTRALANNLIDK
GIRVNAVAPGSTWTPLQPSTYSADQVAILGSGNPMRRMAQPFELAPAYVYLASDDSRFVT
GQTIHVNGGELTSS

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