SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_012412770.1 NCBI__GCF_000020025.1:WP_012412770.1 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)

4fj0D Crystal structure of the ternary complex between a fungal 17beta- hydroxysteroid dehydrogenase (holo form) and 3,7-dihydroxy flavone (see paper)
44% identity, 99% coverage: 4:246/246 of query aligns to 7:261/261 of 4fj0D

query
sites
4fj0D

L

L

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D

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G

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active site: G20 (= G17), S144 (= S141), N145 (≠ S142), H155 (≠ Y151), Y158 (= Y154), K162 (= K158), Y203 (vs. gap)
binding 3,7-dihydroxy-2-phenyl-4H-chromen-4-one: S144 (= S141), N145 (≠ S142), G190 (≠ P186), F196 (= F192), S200 (vs. gap), Y203 (vs. gap), A219 (= A205)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G16 (= G13), R19 (= R16), G20 (= G17), I21 (= I18), A41 (= A38), N42 (≠ G39), S43 (≠ N40), I68 (= I65), N94 (= N91), S95 (≠ A92), G96 (= G93), L117 (≠ I114), T142 (≠ F139), Y158 (= Y154), K162 (= K158), P188 (= P184), G189 (= G185), G190 (≠ P186), T191 (= T187), T193 (= T189), M195 (≠ L191)

4fj2B Crystal structure of the ternary complex between a fungal 17beta- hydroxysteroid dehydrogenase (holo form) and biochanin a (see paper)
44% identity, 99% coverage: 4:246/246 of query aligns to 6:260/260 of 4fj2B

query
sites
4fj2B

L

L

S

D

G

G

K

K

V

V

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A

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G

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active site: G19 (= G17), S143 (= S141), N144 (≠ S142), H154 (≠ Y151), Y157 (= Y154), K161 (= K158), Y202 (vs. gap)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G13), R18 (= R16), G19 (= G17), I20 (= I18), A40 (= A38), N41 (≠ G39), S42 (≠ N40), I67 (= I65), N93 (= N91), S94 (≠ A92), G95 (= G93), L116 (≠ I114), T141 (≠ F139), Y157 (= Y154), K161 (= K158), G188 (= G185), G189 (≠ P186), T190 (= T187), T192 (= T189), M194 (≠ L191)
binding 5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one: G189 (≠ P186), F195 (= F192), V198 (vs. gap), S199 (vs. gap), Y202 (vs. gap), I203 (vs. gap), M217 (≠ L204), A218 (= A205)

3qwiA Crystal structure of a 17beta-hydroxysteroid dehydrogenase (holo form) from fungus cochliobolus lunatus in complex with NADPH and coumestrol (see paper)
44% identity, 99% coverage: 4:246/246 of query aligns to 6:260/260 of 3qwiA

query
sites
3qwiA

L

L

S

D

G

G

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K

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active site: G19 (= G17), S143 (= S141), N144 (≠ S142), H154 (≠ Y151), Y157 (= Y154), K161 (= K158), Y202 (vs. gap)
binding Coumestrol: F149 (≠ M146), G189 (≠ P186), M194 (≠ L191), Y202 (vs. gap), I203 (vs. gap), A218 (= A205)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G13), R18 (= R16), I20 (= I18), A40 (= A38), N41 (≠ G39), S42 (≠ N40), I67 (= I65), N93 (= N91), S94 (≠ A92), G95 (= G93), L116 (≠ I114), T141 (≠ F139), Y157 (= Y154), K161 (= K158), P187 (= P184), G188 (= G185), G189 (≠ P186), T190 (= T187), T192 (= T189), M194 (≠ L191)

3qwhA Crystal structure of the 17beta-hydroxysteroid dehydrogenase from cochliobolus lunatus in complex with NADPH and kaempferol (see paper)
44% identity, 99% coverage: 4:246/246 of query aligns to 6:260/260 of 3qwhA

query
sites
3qwhA

L

L

S

D

G

G

K

K

V

V

A

A

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G

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active site: G19 (= G17), S143 (= S141), N144 (≠ S142), H154 (≠ Y151), Y157 (= Y154), K161 (= K158), Y202 (vs. gap)
binding 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4h-chromen-4-one: N144 (≠ S142), F149 (≠ M146), G189 (≠ P186), F195 (= F192), S199 (vs. gap), Y202 (vs. gap), I203 (vs. gap), A218 (= A205)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G13), R18 (= R16), G19 (= G17), I20 (= I18), A40 (= A38), N41 (≠ G39), S42 (≠ N40), D66 (= D64), I67 (= I65), N93 (= N91), S94 (≠ A92), G95 (= G93), L116 (≠ I114), T141 (≠ F139), Y157 (= Y154), K161 (= K158), P187 (= P184), G188 (= G185), G189 (≠ P186), T190 (= T187), T192 (= T189), M194 (≠ L191)

4fj1B Crystal structure of the ternary complex between a fungal 17beta- hydroxysteroid dehydrogenase (holo form) and genistein (see paper)
44% identity, 99% coverage: 4:246/246 of query aligns to 5:259/259 of 4fj1B

query
sites
4fj1B

L

L

S

D

G

G

K

K

V

V

A

A

I

L

I

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T

T

G
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G

A

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S

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R

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I

G

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A

A

A

I

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L

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H

L

L

A

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L

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x
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D

A

A

E

E

E

K

V

V

A

S

E

E

I

I

E

K

K

A

L

L

G

G

V

S

E

D

A

A

I

I

A

A

I

I

Q

K

A

A

D

D

I
|
I

S

R

K

Q

V

V

P

P

D

E

I

I

Q

V

R

K

L

L

F

F

E

D

Q

Q

T

A

L

V

E

A

H

H

F

F

G

G

K

H

V

L

D

D

I

I

L

A

V

V

N

S

N
|
N

A
x
S

G
|
G

I

V

A

V

F

S

Y

F

K

G

P

H

I

L

T

K

Q

D

V

V

S

T

E

E

D

E

F

F

D

D

A

R

I

V

F

F

A

S

I
x
L

N

N

V

T

K

R

G

G

T

Q

F

F

A

V

C

A

Q

R

Q

E

A

A

A

Y

Q

R

H

H

L

L

S

T

E

E

G

G

R

R

I

I

I

V

N

L

F
x
T

S

S

S
|
S

S
x
N

T

T

T

S

V

K

-

D

M

F

M

S

L

V

P

P

T

K

Y
x
H

S

S

A

L

Y
|
Y

V

S

G

G

T

S

K
|
K

G

G

A

A

V

V

E

D

Q

S

I

F

T

V

R

R

V

I

L

F

A

S

K

K

E

D

L

C

G

G

A

D

K

K

A

K

I

I

A

T

V

V

N

N

V

A

I

V

S

A

P

P

G
|
G

P
x
G

T
|
T

D

V

T
|
T

E

D

L
x
M

F
|
F

R

H

E

E

-

V

-
x
S

-

H

-
x
Y

-
x
I

-

P

-

N

-

G

-

T

G

S

K

Y

T

T

Q

A

E

E

Q

Q

I

R

D

Q

R

Q

L
x
M

A
|
A

Q

A

M

H

A

A

A

S

-

P

F

L

G

H

K

R

L

N

G

G

D

W

V

P

Q

Q

E

D

I

V

A

A

D

N

V

V

A

G

F

F

L

L

A

V

S

S

D

K

E

E

A

G

R

E

W

W

I

V

T

N

G

G

Q

K

N

V

I

L

R

T

V

L

N

D

G

G

I

A

A

A

active site: G18 (= G17), S142 (= S141), N143 (≠ S142), H153 (≠ Y151), Y156 (= Y154), K160 (= K158), Y201 (vs. gap)
binding genistein: G188 (≠ P186), F194 (= F192), S198 (vs. gap), Y201 (vs. gap), I202 (vs. gap), M216 (≠ L204), A217 (= A205)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G14 (= G13), R17 (= R16), G18 (= G17), I19 (= I18), A39 (= A38), N40 (≠ G39), S41 (≠ N40), I66 (= I65), N92 (= N91), S93 (≠ A92), G94 (= G93), L115 (≠ I114), T140 (≠ F139), S142 (= S141), Y156 (= Y154), K160 (= K158), G187 (= G185), T189 (= T187), T191 (= T189), M193 (≠ L191)

8hfkA Crystal structure of cbar mutant (h162f) in complex with NADP+ and halogenated aryl ketone (see paper)
43% identity, 99% coverage: 4:246/246 of query aligns to 6:259/259 of 8hfkA

query
sites
8hfkA

L

L

S

D

G

G

K

K

V

V

A

A

I

L

I

V

T

T

G
|
G

A

S

S

G

R
|
R

G

G

I
|
I

G

G

R

A

A

A

I

V

A

A

L

V

K

H

L

L

A

G

G

L

N

L

G

G

A

A

S

K

I

V

V

V

N

N

Y

Y

A
|
A

G
x
N

N
x
S

A

P

V

T

K

H

A

A

E

Q

E

K

V

V

A

D

E

E

I

I

E

K

K

Q

L

L

G

G

V

S

E

D

A

A

I

I

A

A

I

I

Q

K

A

A

D
|
D

I

V

S

R

K

Q

V

V

P

P

D

E

I

I

Q

V

R

R

L

L

F

F

E

D

Q

E

T

A

L

V

E

A

H

H

F

F

G

G

K

Q

V

L

D

D

I

I

L

A

V

V

N

S

N
|
N

A
x
S

G

G

I

V

A

V

F

S

Y

F

K

G

P

H

I

L

T

K

Q

D

V

V

S

T

E

E

D

E

F

F

D

D

A

R

I

V

F

F

A

S

I
x
L

N

N

V

T

K

R

G

G

T

Q

F

F

A

V

C

A

Q

R

Q

E

A

A

A

Y

Q

K

H

H

L

L

S

N

E

N

G

G

R

R

I

I

N

M

F
x
T

S

S

S
|
S

S
x
N

T
|
T

T

S

V

R

M

D

M

S

L

V

P

P

T

K

Y
x
F

S

S

A

L

Y
|
Y

V

S

G

G

T

S

K
|
K

G

G

A

A

V

I

E

D

Q

S

I

F

T

V

R

R

V

I

L

F

A

S

K

K

E

D

L

C

G

G

A

D

K

K

A

K

I

I

A

T

V

V

N

N

V

A

I

V

S

A

P
|
P

G
|
G

P
x
G

T
|
T

D

V

T
|
T

E

D

L
x
M

F

F

R

H

-

D

-
x
V

-

S

-

Q

-

H

-

Y

-

I

-

P

-

N

-

G

E

E

G

T

K

Y

T

T

Q

P

E

E

Q

E

I

R

D

Q

R

K

L

M

A

A

Q

A

M

H

A

A

A

S

-

P

F

L

G

H

K

R

L

N

G

G

D

F

V

P

Q

E

E

D

I

I

A

A

D

R

V

V

A

G

F

F

L

L

A

V

S

S

D

A

E

E

A

G

R

E

W

W

I

I

T

N

G

G

Q

K

N

V

I

L

R

T

V

V

N

D

G

G

I

A

A
|
A

binding 2-bromanyl-1-(4-bromanyl-2-oxidanyl-phenyl)ethanone: S143 (= S141), N144 (≠ S142), T145 (= T143), F153 (≠ Y151), Y156 (= Y154), G187 (= G185), M193 (≠ L191), V197 (vs. gap), A259 (= A246)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G13), R18 (= R16), I20 (= I18), A40 (= A38), N41 (≠ G39), S42 (≠ N40), D66 (= D64), N93 (= N91), S94 (≠ A92), L116 (≠ I114), T141 (≠ F139), Y156 (= Y154), K160 (= K158), P186 (= P184), G187 (= G185), G188 (≠ P186), T189 (= T187), T191 (= T189), M193 (≠ L191)

7yb2D Crystal structure of anthrol reductase (cbar) in complex with NADP+ and emodin (see paper)
43% identity, 99% coverage: 4:246/246 of query aligns to 10:264/264 of 7yb2D

query
sites
7yb2D

L

L

S

D

G

G

K

K

V

V

A

A

I

L

I

V

T

T

G
|
G

A

S

S

G

R
|
R

G
|
G

I
|
I

G

G

R

A

A

A

I

V

A

A

L

V

K

H

L

L

A

G

G

L

N

L

G

G

A

A

S

K

I

V

V

V

N

N

Y
|
Y

A
|
A

G
x
N

N
x
S

A

P

V

T

K

H

A

A

E

Q

E

K

V

V

A

D

E

E

I

I

E

K

K

Q

L

L

G

G

V

S

E

D

A

A

I

I

A

A

I

I

Q

K

A

A

D
|
D

I
x
V

S

R

K

Q

V

V

P

P

D

E

I

I

Q

V

R

R

L

L

F

F

E

D

Q

E

T

A

L

V

E

A

H

H

F

F

G

G

K

Q

V

L

D

D

I

I

L

A

V

V

N

S

N
|
N

A
x
S

G

G

I

V

A

V

F

S

Y

F

K

G

P

H

I

L

T

K

Q

D

V

V

S

T

E

E

D

E

F

F

D

D

A

R

I

V

F

F

A

S

I
x
L

N

N

V

T

K

R

G

G

T

Q

F

F

A

V

C

A

Q

R

Q

E

A

A

A

Y

Q

K

H

H

L

L

S

N

E

N

G

G

R

R

I

I

N

M

F
x
T

S

S

S
|
S

S

N

T

T

T

S

V

R

-

D

M

F

M

S

L

V

P

P

T

K

Y

H

S

S

A

L

Y
|
Y

V

S

G

G

T

S

K
|
K

G

G

A

A

V

I

E

D

Q

S

I

F

T

V

R

R

V

I

L

F

A

S

K

K

E

D

L

C

G

G

A

D

K

K

A

K

I

I

A

T

V

V

N

N

V

A

I

V

S

A

P
|
P

G
|
G

P
x
G

T
|
T

D

V

T
|
T

E

D

L
x
M

F
|
F

R

H

-

D

-
x
V

-
x
S

-

Q

-

H

-
x
Y

-

I

-

P

-

N

-

G

E

E

G

T

K

Y

T

T

Q

P

E

E

Q

E

I

R

D

Q

R

K

L

M

A

A

Q

A

M

H

A

A

A

S

-

P

F

L

G

H

K

R

L

N

G

G

D

F

V

P

Q

E

E

D

I

I

A

A

D

R

V

V

A

G

F

F

L

L

A

V

S

S

D

A

E

E

A

G

R

E

W

W

I

I

T

N

G

G

Q

K

N

V

I

L

R

T

V

V

N

D

G

G

I

A

A

A

binding 3-methyl-1,6,8-trihydroxyanthraquinone: S147 (= S141), Y161 (= Y154), G193 (≠ P186), M198 (≠ L191), F199 (= F192), V202 (vs. gap), S203 (vs. gap), Y206 (vs. gap)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G19 (= G13), R22 (= R16), G23 (= G17), I24 (= I18), Y43 (= Y37), A44 (= A38), N45 (≠ G39), S46 (≠ N40), D70 (= D64), V71 (≠ I65), N97 (= N91), S98 (≠ A92), L120 (≠ I114), T145 (≠ F139), S147 (= S141), Y161 (= Y154), K165 (= K158), P191 (= P184), G192 (= G185), T194 (= T187), T196 (= T189), M198 (≠ L191)

8hfjC Crystal structure of cbar mutant (h162f) in complex with NADP+ and a bulky 1,3-cyclodiketone (see paper)
43% identity, 99% coverage: 4:246/246 of query aligns to 6:260/260 of 8hfjC

query
sites
8hfjC

L

L

S

D

G

G

K

K

V

V

A

A

I

L

I

V

T

T

G
|
G

A

S

S

G

R
|
R

G

G

I
|
I

G

G

R

A

A

A

I

V

A

A

L

V

K

H

L

L

A

G

G

L

N

L

G

G

A

A

S

K

I

V

V

V

N

N

Y
|
Y

A
|
A

G
x
N

N
x
S

A

P

V

T

K

H

A

A

E

Q

E

K

V

V

A

D

E

E

I

I

E

K

K

Q

L

L

G

G

V

S

E

D

A

A

I

I

A

A

I

I

Q

K

A

A

D
|
D

I
x
V

S

R

K

Q

V

V

P

P

D

E

I

I

Q

V

R

R

L

L

F

F

E

D

Q

E

T

A

L

V

E

A

H

H

F

F

G

G

K

Q

V

L

D

D

I

I

L

A

V

V

N

S

N
|
N

A
x
S

G

G

I

V

A

V

F

S

Y

F

K

G

P

H

I

L

T

K

Q

D

V

V

S

T

E

E

D

E

F

F

D

D

A

R

I

V

F

F

A

S

I
x
L

N

N

V

T

K

R

G

G

T

Q

F

F

A

V

C

A

Q

R

Q

E

A

A

A

Y

Q

K

H

H

L

L

S

N

E

N

G

G

R

R

I

I

N

M

F
x
T

S

S

S
x
N

T
|
T

T

S

V

R

-

D

M

F

M

S

L

V

P

P

T

K

Y
x
F

S

S

A

L

Y
|
Y

V

S

G

G

T

S

K
|
K

G

G

A

A

V

I

E

D

Q

S

I

F

T

V

R

R

V

I

L

F

A

S

K

K

E

D

L

C

G

G

A

D

K

K

A

K

I

I

A

T

V

V

N

N

V

A

I

V

S

A

P
|
P

G

G

P
x
G

T
|
T

D

V

T
|
T

E

D

L
x
M

F

F

R

H

-

D

-
x
V

-

S

-

Q

-

H

-

Y

-

I

-

P

-

N

-

G

E

E

G

T

K

Y

T

T

Q

P

E

E

Q

E

I

R

D

Q

R

K

L

M

A

A

Q

A

M

H

A

A

A

S

-

P

F

L

G

H

K

R

L

N

G

G

D

F

V

P

Q

E

E

D

I

I

A

A

D

R

V

V

A

G

F

F

L

L

A

V

S

S

D

A

E

E

A

G

R

E

W

W

I

I

T

N

G

G

Q

K

N

V

I

L

R

T

V

V

N

D

G

G

I

A

A
|
A

binding 2-methyl-2-[(4-methylphenyl)methyl]cyclopentane-1,3-dione: N144 (≠ S142), T145 (= T143), F154 (≠ Y151), G189 (≠ P186), V198 (vs. gap), A260 (= A246)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G13), R18 (= R16), I20 (= I18), Y39 (= Y37), A40 (= A38), N41 (≠ G39), S42 (≠ N40), D66 (= D64), V67 (≠ I65), N93 (= N91), S94 (≠ A92), L116 (≠ I114), T141 (≠ F139), Y157 (= Y154), K161 (= K158), P187 (= P184), T190 (= T187), T192 (= T189), M194 (≠ L191)

7v0hG Crystal structure of putative glucose 1-dehydrogenase from burkholderia cenocepacia in complex with NADP and a potential reaction product
46% identity, 100% coverage: 1:245/246 of query aligns to 6:252/253 of 7v0hG

query
sites
7v0hG

M

M

S

S

S

K

L

L

S

A

G

G

K

K

V

V

A

A

I

I

I

V

T

T

G
|
G

A

A

S
|
S

R
x
K

G
|
G

I
|
I

G

G

R

A

A

A

I

I

A

A

L

K

K

A

L

L

A

A

G

D

N

E

G

G

A

A

S

A

I

V

V

V

N

N

Y

Y

A
|
A

G
x
S

N
x
S

A

K

V

A

K

G

A

A

E

D

E

A

V

V

A

S

E

A

I

I

E

T

K

E

L

A

G

G

V

G

E

R

A

A

I

V

A

A

I

V

Q

G

A
x
G

D
|
D

I
x
V

S

S

K

K

V

A

P

A

D

D

I

A

Q

Q

R

R

L

I

F

V

E

D

Q

T

T

A

L

I

E

E

H

T

F

Y

G

G

K

R

V

L

D

D

I

V

L

L

V

V

N

N

N
|
N

A
x
S

G
|
G

I

V

A
x
Y

F

E

Y

F

K

A

P

P

I

I

T

E

Q

A

V

I

S

T

E

E

D

H

F

Y

D

R

A

R

I

Q

F

F

A

D

I

T

N

N

V

V

K

F

G

G

T

V

F

L

A

T

C

T

Q

Q

Q

A

A

A

A

V

Q

K

H

H

L

L

S

G

E

E

G

G

G

A

R

S

I

I

N

N

F
x
I

S

S

S
|
S

S

V

T

V

T

T

V

S

M

I

M

T

L

P

P

P

T

A

Y

S

S

A

A

V

Y
|
Y

V

S

G

G

T

T

K
|
K

G

G

A

A

V

V

E

D

Q

A

I

I

T

T

R

G

V

V

L

L

A

A

K

L

E

E

L

L

G

G

A

P

K

R

A

K

I

I

A

R

V

V

N

N

V

A

I

I

S

N

P
|
P

G
|
G

P

-

T

-

D

-

T

-

E
x
M

L
x
I

F

V

R
x
T

E

E

G
|
G

K
x
T

T

H

Q

S

E

A

Q

G

I
|
I

-

I

-

G

-

S

D

D

R

L

L

E

A

A

Q

Q

M

V

-

L

-

G

-

Q

A

T

A

P

F

L

G

G

K

R

L

L

G

G

D

E

V

P

Q

N

E

D

I

I

A

A

D

S

V

V

V

A

A

V

F

F

L

L

A

A

S

S

D

D

E

D

A

A

R

R

W

W

I

M

T

T

G

G

Q

E

N

H

I

L

R

V

V

V

N

S

G

G

I

L

binding nadp nicotinamide-adenine-dinucleotide phosphate: G18 (= G13), S20 (= S15), K21 (≠ R16), G22 (= G17), I23 (= I18), A43 (= A38), S44 (≠ G39), S45 (≠ N40), G68 (≠ A63), D69 (= D64), V70 (≠ I65), N96 (= N91), S97 (≠ A92), G98 (= G93), Y100 (≠ A95), I144 (≠ F139), S146 (= S141), Y159 (= Y154), K163 (= K158), P189 (= P184), G190 (= G185), M191 (≠ E190), I192 (≠ L191), T194 (≠ R193), G196 (= G195), T197 (≠ K196)
binding (2R)-2-(hydroxymethyl)pentanedioic acid: S146 (= S141), Y159 (= Y154), M191 (≠ E190), I202 (= I201)

7nm8AAA Antimycin pathway standalone ketoreductase, AntM (see paper)
43% identity, 98% coverage: 6:245/246 of query aligns to 6:248/251 of 7nm8AAA

query
sites
7nm8AAA

G

G

K

R

V

T

A

A

I

L

I

V

T

T

G
|
G

A

G

S
|
S

R
|
R

G
|
G

I
|
I

G

G

R

R

A

A

I

I

A

S

L

R

K

R

L

L

A

A

G

A

N

E

G

G

A

A

S

L

I

V

V

A

V

V

N
x
H

Y
|
Y

A
x
G

G
x
H

N

D

A

H

V

A

K

A

A

A

E

E

E

R

V

T

V

V

A

K

E

E

I

I

E

E

K

T

L

D

G

G

V

G

E

R

A

A

I

F

A

P

I

V

Q

H

A

A

D

E

I
x
L

S

G

K

V

V

E

P

G

D

D

I

A

Q

A

R

T

L

L

-

W

-

A

F

F

E

D

Q

E

T

A

L

L

E

S

H

G

F

T

G

G

K

S

-

G

-

P

-

G

V

L

D

D

I

I

L

L

V

V

N

N

N
|
N

A

A

G
|
G

I

I

A

T

F

L

Y

P

K

R

P

P

I

I

T

A

Q

A

V

V

S

T

E

E

E

A

D

E

F

Y

D

D

A

R

I

V

F

F

A

A

I

V

N

N

V

T

K

R

G

A

T

P

F

F

A

I

C

V

Q

Q

Q

R

A

S

A

L

Q

E

H

R

L

L

S

R

E

D

G

G

R

R

I

I

N

S

F

I

S

S

S
|
S

S

A

T

A

T

T

V

Q

M

T

M

A

L

Y

P

P

T

A

Y

I

S

V

A

A

Y
|
Y

V

S

G

M

T

S

K
|
K

G

G

A

A

V

L

E

D

Q

V

I

L

T

T

R

P

V

A

L

L

A

A

K

K

E

Q

L

L

G

G

A

P

K

R

A

G

I

I

A

T

V

V

N

N

V

T

I

V

S

A

P

P

G
|
G

P

F

T
|
T

D

E

T
|
T

E

E

L

I

F

L

R

S

E

N

G

P

K

E

T

I

Q

R

E

K

Q

A

I

-

D

-

R

-

L

L

A

S

Q

S

M

A

A

S

A

V

F

F

G

G

K

R

L

L

G

G

D

A

V

P

Q

A

E

D

I

I

A

A

D

D

V

V

A

S

F

F

L

V

A

A

S

S

D

D

E

E

A

A

R

R

W

W

I

V

T

T

G

G

Q

Q

N

W

I

I

R

D

V

A

N

T

G

G

I

V

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G13 (= G13), S15 (= S15), R16 (= R16), G17 (= G17), I18 (= I18), H36 (≠ N36), Y37 (= Y37), G38 (≠ A38), H39 (≠ G39), L65 (≠ I65), N97 (= N91), G99 (= G93), S147 (= S141), Y160 (= Y154), K164 (= K158), G191 (= G185), T193 (= T187), T195 (= T189)

1ybvA Structure of trihydroxynaphthalene reductase in complex with NADPH and an active site inhibitor (see paper)
39% identity, 99% coverage: 2:244/246 of query aligns to 12:267/270 of 1ybvA

query
sites
1ybvA

S

A

S

S

L

L

S

E

G

G

K

K

V

V

A

A

I

L

I

V

T

T

G
|
G

A

A

S

G

R
|
R

G
|
G

I
|
I

G

G

R

R

A

E

I

M

A

A

L

M

K

E

L

L

A

G

G

R

N

R

G

G

A

C

S

K

I

V

V

I

V

V

N

N

Y

Y

A
|
A

G
x
N

N
x
S

A

T

V

E

K

S

A

A

E

E

V

V

A

A

E

A

I

I

E

K

K

K

L

N

G

G

V

S

E

D

A

A

I

A

A

C

I

V

Q

K

A

A

D
x
N

I
x
V

S

G

K

V

V

V

P

E

D

D

I

I

Q

V

R

R

L

M

F

F

E

E

Q

E

T

A

L

V

E

K

H

I

F

F

G

G

K

K

V

L

D

D

I

I

L

V

V

C

N

S

N
|
N

A
x
S

G
|
G

I

V

A

V

F

S

Y

F

K

G

P

H

I

V

T

K

Q

D

V

V

S

T

E

P

E

E

D

E

F

F

D

D

A

R

I

V

F

F

A

T

I

I

N

N

V

T

K

R

G

G

T

Q

F

F

A

V

C

A

Q

R

Q

E

A

A

A

Y

Q

K

H

H

L

L

S

E

E

I

G

G

R

R

I

L

I

I

N

L

F
x
M

S

G

S
|
S

S

I

T

T

-

G

T

Q

V

A

M

K

M

A

L

V

P

P

T

K

Y
x
H

S

A

A

V

Y
|
Y

V

S

G

G

T

S

K
|
K

G

G

A

A

V

I

E

E

Q

T

I

F

T

A

R

R

V

C

L

M

A

A

K

I

E

D

L

M

G

A

A

D

K

K

A

K

I

I

A

T

V

V

N

N

V

V

I

V

S

A

P
|
P

G

G

P
x
G

T
x
I

D

K

T
|
T

E

D

L
x
M

F
x
Y

R

H

-

A

-

V

-

C

-

R

-

E

-
x
Y

-

I

-

P

-

N

-

G

E

E

G

N

K

L

T

S

Q

N

E

E

Q

E

I

V

D

D

R

E

L

Y

A

A

-

A

-

V

Q

Q

M
x
W

A

S

A

P

F

L

G

R

K

R

L

V

G

G

D

L

V

P

Q

I

E

D

I

I

A

A

D

R

V

V

A

C

F

F

L

L

A

A

S

S

D

N

E

D

A

G

R

G

W

W

I

V

T

T

G

G

Q

K

N

V

I

I

R

G

V

I

N

D

G

G

active site: G27 (= G17), S151 (= S141), H162 (≠ Y151), Y165 (= Y154), K169 (= K158), Y210 (vs. gap)
binding 5-methyl-1,2,4-triazolo[3,4-b]benzothiazole: S151 (= S141), Y165 (= Y154), G197 (≠ P186), M202 (≠ L191), Y203 (≠ F192), Y210 (vs. gap), W230 (≠ M207)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G23 (= G13), R26 (= R16), G27 (= G17), I28 (= I18), A48 (= A38), N49 (≠ G39), S50 (≠ N40), N74 (≠ D64), V75 (≠ I65), N101 (= N91), S102 (≠ A92), G103 (= G93), M149 (≠ F139), S151 (= S141), K169 (= K158), P195 (= P184), G197 (≠ P186), I198 (≠ T187), T200 (= T189), M202 (≠ L191)

1g0oC Structure of trihydroxynaphthalene reductase in complex with NADPH and pyroquilon (see paper)
39% identity, 99% coverage: 2:244/246 of query aligns to 23:278/281 of 1g0oC

query
sites
1g0oC

S

A

S

S

L

L

S

E

G

G

K

K

V

V

A

A

I

L

I

V

T

T

G
|
G

A

A

S

G

R
|
R

G
|
G

I
|
I

G

G

R

R

A

E

I

M

A

A

L

M

K

E

L

L

A

G

G

R

N

R

G

G

A

C

S

K

I

V

V

I

V

V

N

N

Y

Y

A
|
A

G
x
N

N
x
S

A

T

V

E

K

S

A

A

E

E

V

V

A

A

E

A

I

I

E

K

K

K

L

N

G

G

V

S

E

D

A

A

I

A

A

C

I

V

Q

K

A

A

D
x
N

I
x
V

S

G

K

V

V

V

P

E

D

D

I

I

Q

V

R

R

L

M

F

F

E

E

Q

E

T

A

L

V

E

K

H

I

F

F

G

G

K

K

V

L

D

D

I

I

L

V

V

C

N

S

N
|
N

A
x
S

G
|
G

I

V

A

V

F

S

Y

F

K

G

P

H

I

V

T

K

Q

D

V

V

S

T

E

P

E

E

D

E

F

F

D

D

A

R

I

V

F

F

A

T

I

I

N

N

V

T

K

R

G

G

T

Q

F

F

A

V

C

A

Q

R

Q

E

A

A

A

Y

Q

K

H

H

L

L

S

E

E

I

G

G

R

R

I

L

I

I

N

L

F
x
M

S

G

S
|
S

S
x
I

T

T

-

G

T

Q

V

A

M

K

M

A

L

V

P

P

T

K

Y
x
H

S

A

A

V

Y
|
Y

V

S

G

G

T

S

K
|
K

G

G

A

A

V

I

E

E

Q

T

I

F

T

A

R

R

V

C

L

M

A

A

K

I

E

D

L

M

G

A

A

D

K

K

A

K

I

I

A

T

V

V

N

N

V

V

I

V

S

A

P
|
P

G

G

P
x
G

T
x
I

D

K

T
|
T

E

D

L
x
M

F

Y

R

H

-

A

-

V

-

C

-

R

-

E

-
x
Y

-

I

-

P

-

N

-

G

E

E

G

N

K

L

T

S

Q

N

E

E

Q

E

I

V

D

D

R

E

L

Y

A

A

-

A

-

V

Q

Q

M

W

A

S

A

P

F

L

G

R

K

R

L

V

G

G

D

L

V

P

Q

I

E

D

I

I

A

A

D

R

V

V

A

C

F

F

L

L

A

A

S

S

D

N

E

D

A

G

R

G

W

W

I

V

T

T

G

G

Q

K

N

V

I

I

R

G

V

I

N

D

G

G

active site: G38 (= G17), S162 (= S141), H173 (≠ Y151), Y176 (= Y154), K180 (= K158), Y221 (vs. gap)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G34 (= G13), R37 (= R16), G38 (= G17), I39 (= I18), A59 (= A38), N60 (≠ G39), S61 (≠ N40), N85 (≠ D64), V86 (≠ I65), N112 (= N91), S113 (≠ A92), G114 (= G93), M160 (≠ F139), Y176 (= Y154), K180 (= K158), P206 (= P184), G208 (≠ P186), I209 (≠ T187), T211 (= T189), M213 (≠ L191)
binding pyroquilon: S162 (= S141), I163 (≠ S142), Y176 (= Y154), G208 (≠ P186), Y221 (vs. gap)

1g0nA Structure of trihydroxynaphthalene reductase in complex with NADPH and 4,5,6,7-tetrachloro-phthalide (see paper)
39% identity, 99% coverage: 2:244/246 of query aligns to 15:270/273 of 1g0nA

query
sites
1g0nA

S

A

S

S

L

L

S

E

G

G

K

K

V

V

A

A

I

L

I

V

T

T

G
|
G

A

A

S

G

R
|
R

G
|
G

I
|
I

G

G

R

R

A

E

I

M

A

A

L

M

K

E

L

L

A

G

G

R

N

R

G

G

A

C

S

K

I

V

V

I

V

V

N

N

Y

Y

A
|
A

G
x
N

N
x
S

A

T

V

E

K

S

A

A

E

E

V

V

A

A

E

A

I

I

E

K

K

K

L

N

G

G

V

S

E

D

A

A

I

A

A

C

I

V

Q

K

A

A

D

N

I
x
V

S

G

K

V

V

V

P

E

D

D

I

I

Q

V

R

R

L

M

F

F

E

E

Q

E

T

A

L

V

E

K

H

I

F

F

G

G

K

K

V

L

D

D

I

I

L

V

V

C

N

S

N
|
N

A
x
S

G
|
G

I

V

A

V

F

S

Y

F

K

G

P

H

I

V

T

K

Q

D

V

V

S

T

E

P

E

E

D

E

F

F

D

D

A

R

I

V

F

F

A

T

I
|
I

N

N

V

T

K

R

G

G

T

Q

F

F

A

V

C

A

Q

R

Q

E

A

A

A

Y

Q

K

H

H

L

L

S

E

E

I

G

G

R

R

I

L

I

I

N

L

F
x
M

S

G

S
|
S

S

I

T

T

-

G

T

Q

V

A

M

K

M

A

L

V

P

P

T

K

Y
x
H

S

A

A

V

Y
|
Y

V

S

G

G

T

S

K
|
K

G

G

A

A

V

I

E

E

Q

T

I

F

T

A

R

R

V

C

L

M

A

A

K

I

E

D

L

M

G

A

A

D

K

K

A

K

I

I

A

T

V

V

N

N

V

V

I

V

S

A

P
|
P

G

G

P
x
G

T
x
I

D

K

T
|
T

E

D

L
x
M

F
x
Y

R

H

-

A

-

V

-
x
C

-

R

-

E

-
x
Y

-

I

-

P

-

N

-

G

E

E

G

N

K

L

T

S

Q

N

E

E

Q

E

I

V

D

D

R

E

L

Y

A

A

-

A

-

V

Q

Q

M
x
W

A

S

A

P

F

L

G

R

K

R

L

V

G

G

D

L

V

P

Q

I

E

D

I

I

A

A

D

R

V

V

A

C

F

F

L

L

A

A

S

S

D

N

E

D

A

G

R

G

W

W

I

V

T

T

G

G

Q

K

N

V

I

I

R

G

V

I

N

D

G

G

active site: G30 (= G17), S154 (= S141), H165 (≠ Y151), Y168 (= Y154), K172 (= K158)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G26 (= G13), R29 (= R16), G30 (= G17), I31 (= I18), A51 (= A38), N52 (≠ G39), S53 (≠ N40), V78 (≠ I65), N104 (= N91), S105 (≠ A92), G106 (= G93), I127 (= I114), M152 (≠ F139), Y168 (= Y154), K172 (= K158), P198 (= P184), G200 (≠ P186), I201 (≠ T187), T203 (= T189), M205 (≠ L191)
binding 4,5,6,7-tetrachloro-phthalide: S154 (= S141), Y168 (= Y154), G200 (≠ P186), M205 (≠ L191), Y206 (≠ F192), C210 (vs. gap), Y213 (vs. gap), W233 (≠ M207)

1dohA Structure of trihydroxynaphthalene reductase in complex with NADPH and 4-nitro-inden-1-one (see paper)
39% identity, 99% coverage: 2:244/246 of query aligns to 15:270/273 of 1dohA

query
sites
1dohA

S

A

S

S

L

L

S

E

G

G

K

K

V

V

A

A

I

L

I

V

T

T

G
|
G

A

A

S

G

R
|
R

G
|
G

I
|
I

G

G

R

R

A

E

I

M

A

A

L

M

K

E

L

L

A

G

G

R

N

R

G

G

A

C

S

K

I

V

V

I

V

V

N

N

Y

Y

A
|
A

G
x
N

N
x
S

A

T

V

E

K

S

A

A

E

E

V

V

A

A

E

A

I

I

E

K

K

K

L

N

G

G

V

S

E

D

A

A

I

A

A

C

I

V

Q

K

A

A

D
x
N

I
x
V

S

G

K

V

V

V

P

E

D

D

I

I

Q

V

R

R

L

M

F

F

E

E

Q

E

T

A

L

V

E

K

H

I

F

F

G

G

K

K

V

L

D

D

I

I

L

V

V

C

N

S

N
|
N

A
x
S

G
|
G

I

V

A

V

F

S

Y

F

K

G

P

H

I

V

T

K

Q

D

V

V

S

T

E

P

E

E

D

E

F

F

D

D

A

R

I

V

F

F

A

T

I

I

N

N

V

T

K

R

G

G

T

Q

F

F

A

V

C

A

Q

R

Q

E

A

A

A

Y

Q

K

H

H

L

L

S

E

E

I

G

G

R

R

I

L

I

I

N

L

F
x
M

S

G

S
|
S

S

I

T

T

-

G

T

Q

V

A

M

K

M

A

L

V

P

P

T

K

Y
x
H

S

A

A

V

Y
|
Y

V

S

G

G

T

S

K
|
K

G

G

A

A

V

I

E

E

Q

T

I

F

T

A

R

R

V

C

L

M

A

A

K

I

E

D

L

M

G

A

A

D

K

K

A

K

I

I

A

T

V

V

N

N

V

V

I

V

S

A

P
|
P

G

G

P
x
G

T
x
I

D

K

T
|
T

E

D

L
x
M

F
x
Y

R

H

-

A

-

V

-
x
C

-

R

-

E

-
x
Y

-

I

-

P

-

N

-

G

E

E

G

N

K

L

T

S

Q

N

E

E

Q

E

I

V

D

D

R

E

L

Y

A

A

-

A

-

V

Q

Q

M

W

A

S

A

P

F

L

G

R

K

R

L

V

G

G

D

L

V

P

Q

I

E

D

I

I

A

A

D

R

V

V

A

C

F

F

L

L

A

A

S

S

D

N

E

D

A

G

R

G

W

W

I

V

T

T

G

G

Q

K

N

V

I

I

R

G

V

I

N

D

G

G

active site: G30 (= G17), S154 (= S141), H165 (≠ Y151), Y168 (= Y154), K172 (= K158), Y213 (vs. gap)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G26 (= G13), R29 (= R16), G30 (= G17), I31 (= I18), A51 (= A38), N52 (≠ G39), S53 (≠ N40), N77 (≠ D64), V78 (≠ I65), N104 (= N91), S105 (≠ A92), G106 (= G93), M152 (≠ F139), Y168 (= Y154), K172 (= K158), P198 (= P184), G200 (≠ P186), I201 (≠ T187), T203 (= T189), M205 (≠ L191)
binding 4-nitro-inden-1-one: Y168 (= Y154), G200 (≠ P186), Y206 (≠ F192), C210 (vs. gap), Y213 (vs. gap)

Q12634 Tetrahydroxynaphthalene reductase; T4HN reductase; THNR; EC 1.1.1.252 from Pyricularia oryzae (strain 70-15 / ATCC MYA-4617 / FGSC 8958) (Rice blast fungus) (Magnaporthe oryzae) (see 2 papers)
39% identity, 99% coverage: 2:244/246 of query aligns to 25:280/283 of Q12634

query
sites
Q12634

S

A

S

S

L

L

S

E

G

G

K

K

V

V

A

A

I

L

I

V

T

T

G

G

A

A

S

G

R
|
R

G
|
G

I
|
I

G
|
G

R
|
R

A
x
E

I
x
M

A
|
A

L
x
M

K
x
E

L
|
L

A
x
G

G
x
R

N
x
R

G
|
G

A
x
C

S
x
K

I
x
V

V
x
I

V
|
V

N
|
N

Y
|
Y

A
|
A

G
x
N

N
x
S

A

T

V

E

K

S

A

A

E

E

V

V

A

A

E

A

I

I

E

K

K

K

L

N

G

G

V

S

E

D

A

A

I

A

A

C

I

V

Q

K

A

A

D

N

I

V

S

G

K

V

V

V

P

E

D

D

I

I

Q

V

R

R

L

M

F

F

E

E

Q

E

T

A

L

V

E

K

H

I

F

F

G

G

K

K

V

L

D

D

I

I

L

V

V

C

N

S

N

N

A

S

G

G

I

V

A

V

F

S

Y

F

K

G

P

H

I

V

T

K

Q

D

V

V

S

T

E

P

E

E

D

E

F

F

D

D

A

R

I

V

F

F

A

T

I

I

N

N

V

T

K

R

G

G

T

Q

F

F

A

V

C

A

Q

R

Q

E

A

A

A

Y

Q

K

H

H

L

L

S

E

E

I

G

G

R

R

I

L

I

I

N

L

F

M

S

G

S

S

S

I

T

T

-

G

T

Q

V

A

M

K

M

A

L

V

P

P

T

K

Y

H

S

A

A

V

Y
|
Y

V

S

G

G

T

S

K

K

G

G

A

A

V

I

E

E

Q

T

I

F

T

A

R

R

V

C

L

M

A

A

K

I

E

D

L

M

G

A

A

D

K

K

A

K

I

I

A

T

V

V

N

N

V

V

I

V

S

A

P

P

G

G

P

G

T

I

D

K

T

T

E

D

L

M

F

Y

R

H

-

A

-

V

-

C

-

R

-

E

-

Y

-

I

-

P

-

N

-

G

E

E

G

N

K

L

T

S

Q

N

E

E

Q

E

I

V

D

D

R

E

L

Y

A

A

Q

A

M

S

A

A

-

W

-

S

A

P

F

L

G

H

K

R

L

V

G

G

D

L

V

P

Q

I

E

D

I

I

A

A

D

R

V

V

A

C

F

F

L

L

A

A

S

S

D

N

E

D

A

G

R

G

W

W

I

V

T

T

G

G

Q

K

N

V

I

I

R

G

V

I

N

D

G

G

39:63 (vs. 16:40, 48% identical) binding NADP(+)
Y178 (= Y154) active site, Proton acceptor

3iccA Crystal structure of a putative 3-oxoacyl-(acyl carrier protein) reductase from bacillus anthracis at 1.87 a resolution (see paper)
44% identity, 99% coverage: 2:244/246 of query aligns to 3:252/255 of 3iccA

query
sites
3iccA

S

S

S

M

L

L

S

K

G

G

K

K

V

V

A

A

I

L

I

V

T

T

G
|
G

A

A

S
|
S

R
|
R

G
|
G

I
|
I

G

G

R

R

A

A

I

I

A

A

L

K

K

R

L

L

A

A

G

N

N

D

G

G

A

A

S

L

I

V

V

A

V

I

N
x
H

Y
|
Y

A
x
G

G

N

N

R

A

K

V

E

K

E

A

A

E

E

V

T

V

V

A

Y

E

E

I

I

E

Q

K

S

L

N

G

G

V

G

E

S

A

A

I

F

A

S

I

I

Q

G

A

A

D

N

I
x
L

S
x
E

K

S

V

L

P

H

D

G

I

V

Q

E

R

A

L

L

F

Y

E

S

-

S

-

L

-

D

-

N

-

E

-

L

Q

Q

T

N

L

R

E

T

H

G

F

S

G

T

K

K

V

F

D

D

I

I

L

L

V

I

N

N

N
|
N

A

A

G
|
G

I

I

A

G

F

P

Y

G

K

A

P

F

I

I

T

E

Q

E

V

T

S

T

E

E

E

Q

D

F

F

F

D

D

A

R

I

M

F

V

A

S

I

V

N

N

V

A

K

K

G

A

T

P

F

F

A

I

C

I

Q

Q

A

A

A

L

Q

S

H

R

L

L

S

R

E

D

G

N

G

S

R

R

I

I

N

N

F
x
I

S

S

S
|
S

S

A

T

A

T

T

V

R

M

I

M

S

L

L

P

P

T

D

Y
x
F

S

I

A

A

Y
|
Y

V

S

G

M

T

T

K
|
K

G

G

A

A

V

I

E

N

Q

T

I

M

T

T

R

F

V

T

L

L

A

A

K

K

E

Q

L

L

G

G

A

A

K

R

A

G

I

I

A

T

V

V

N

N

V

A

I

I

S

L

P
|
P

G
|
G

P

F

T

V

D

K

T

T

E

D

L
x
M

F
x
N

R

A

E

E

G

L

K

L

T

S

Q

D

E

P

Q

M

I

M

D

K

R

Q

L

Y

A

A

-

T

Q

T

M

I

A

S

A

A

F

F

G

N

K

R

L

L

G

G

D

E

V

V

Q

E

E

D

I

I

A

A

D

D

V

T

V

A

A

A

F

F

L

L

A

A

S

S

D

P

E

D

A

S

R

R

W

W

I

V

T

T

G

G

Q

Q

N

L

I

I

R

D

V

V

N

S

G

G

active site: G18 (= G17), S148 (= S141), F158 (≠ Y151), Y161 (= Y154), K165 (= K158)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G14 (= G13), S16 (= S15), R17 (= R16), G18 (= G17), I19 (= I18), H37 (≠ N36), Y38 (= Y37), G39 (≠ A38), L66 (≠ I65), E67 (≠ S66), N98 (= N91), G100 (= G93), I146 (≠ F139), S148 (= S141), Y161 (= Y154), K165 (= K158), P191 (= P184), G192 (= G185), M198 (≠ L191), N199 (≠ F192)

6yq3AAA Monooxygenase (see paper)
43% identity, 99% coverage: 2:244/246 of query aligns to 1:248/252 of 6yq3AAA

query
sites
6yq3AAA

S

S

S

R

L

L

S

T

G

G

K

K

V

N

A

A

I

L

I

V

T

T

G
|
G

A

S

S
|
S

R
|
R

G
|
G

I
|
I

G

G

R

R

A

A

I

T

A

A

L

V

K

R

L

L

A

A

G

R

N

E

G

G

A

A

S

L

I

V

V

A

V

V

N
x
H

Y

Y

A
|
A

G
x
S

N
|
N

A

E

V

A

K

A

A

A

E

D

E

E

V

T

V

V

A

A

E

Q

I

I

E

E

K

R

L

E

G

G

V

G

E

R

A

A

I

F

A

P

I

V

Q

R

A

A

D

E

I
x
L

S

G

K

V

V

A

P

G

D

D

I

V

Q

H

R

E

L

L

F

F

-

L

-

G

-

L

E

E

Q

Q

T

G

L

L

-

K

E

E

H

R

F

T

G

G

K

E

-

T

V

L

D

D

I

I

L

L

V

V

N

N

N
|
N

A
|
A

G
x
A

I

V

A

T

F

D

Y

G

K

I

P

L

I

P

T

E

Q

D

V

V

S

T

E

A

E

E

D

Q

F

L

D

D

A

R

I

Y

F

Y

A

A

I
x
V

N

N

V

A

K

K

G

A

T

P

F

F

F

L

A

L

C

V

Q

Q

Q

R

A

A

A

V

Q

R

H

N

L

M

S

P

E

D

G

G

R

R

I

I

N

N

F
x
I

S

S

S
|
S

S
x
G

T
x
L

T

T

V

R

M

C

M

A

L

V

P

P

T

E

Y
x
Q

S

V

A

A

Y
|
Y

V

S

G

M

T

T

K
|
K

G

G

A

A

V

L

E

E

Q

Q

I

I

T

T

R

L

V

H

L

M

A

A

K

K

E

H

L

L

G

A

A

P

K

R

A

G

I

I

A

T

V

V

N

N

V

S

I

V

S

A

P
|
P

G
|
G

P
x
I

T
|
T

D

D

T
x
N

-

G

E

A

L

V

F

F

R

-

E

-

G

-

K

D

T

I

Q

P

E

E

Q

I

I

V

D

E

R

Q

L

M

A

A

Q

Q

M

S

A

S

A

A

F

F

G

K

K

R

L

V

G

G

D

E

V

A

Q

G

E

D

I

V

A

A

D

D

V

V

A

T

F

F

L

I

A

A

S

T

D

D

E

E

A

S

R

R

W

W

I

I

T

T

G

G

Q

A

N

F

I

I

R

D

V

A

N

S

G

G

active site: G16 (= G17), S146 (= S141), Y159 (= Y154)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G13), S14 (= S15), R15 (= R16), G16 (= G17), I17 (= I18), H35 (≠ N36), A37 (= A38), S38 (≠ G39), N39 (= N40), L64 (≠ I65), N96 (= N91), A97 (= A92), A98 (≠ G93), V119 (≠ I114), I144 (≠ F139), Y159 (= Y154), K163 (= K158), P189 (= P184), G190 (= G185), I191 (≠ P186), T192 (= T187), N194 (≠ T189)
binding (3~{R})-8-methoxy-3-methyl-3,6-bis(oxidanyl)-2,4-dihydrobenzo[a]anthracene-1,7,12-trione: S146 (= S141), G147 (≠ S142), L148 (≠ T143), Q156 (≠ Y151), Y159 (= Y154), I191 (≠ P186)

Sites not aligning to the query:

binding (3~{R})-8-methoxy-3-methyl-3,6-bis(oxidanyl)-2,4-dihydrobenzo[a]anthracene-1,7,12-trione: 249

6ypzAAA Monooxygenase (see paper)
43% identity, 99% coverage: 2:244/246 of query aligns to 1:250/253 of 6ypzAAA

query
sites
6ypzAAA

S

S

S

R

L

L

S

T

G

G

K

K

V

N

A

A

I

L

I

V

T

T

G
|
G

A

S

S
|
S

R
|
R

G
|
G

I
|
I

G

G

R

R

A

A

I

T

A

A

L

V

K

R

L

L

A

A

G

R

N

E

G

G

A

A

S

L

I

V

V

A

V

V

N
x
H

Y

Y

A
|
A

G
x
S

N
|
N

A

E

V

A

K

A

A

A

E

D

E

E

V

T

V

V

A

A

E

Q

I

I

E

E

K

R

L

E

G

G

V

G

E

R

A

A

I

F

A

P

I

V

Q

R

A

A

D

E

I
x
L

S

G

K

V

V

A

P

G

D

D

I

V

Q

H

R

E

L

L

F

F

-

L

-

G

-

L

E

E

Q

Q

T

G

L

L

-

K

E

E

H

R

F

T

G

G

K

E

-

T

V

L

D

D

I

I

L

L

V

V

N

N

N
|
N

A
|
A

G
x
A

I

V

A
x
T

F

G

Y

V

K

D

P

G

I

I

-

L

-

P

T

E

Q

D

V

V

S

T

E

A

E

E

D

Q

F

L

D

D

A

R

I

Y

F

Y

A

A

I

V

N

N

V

A

K

K

G

A

T

P

F

F

F

L

A

L

C

V

Q

Q

Q

R

A

A

A

V

Q

R

H

N

L

M

S

P

E

D

G

G

R

R

I

I

N

N

F
x
I

S
|
S

S

G

T

L

T

T

V

R

M

C

M

A

L

V

P

P

T

E

Y

Q

S

V

A

A

Y
|
Y

V

S

G

M

T

T

K
|
K

G

G

A

A

V

L

E

E

Q

Q

I

I

T

T

R

L

V

H

L

M

A

A

K

K

E

H

L

L

G

A

A

P

K

R

A

G

I

I

A

T

V

V

N

N

V

S

I

V

S

A

P
|
P

G
|
G

P
x
I

T
|
T

D

D

T
x
N

-

G

E

A

L

V

F

F

R

-

E

-

G

-

K

D

T

I

Q

P

E

E

Q

I

I

V

D

E

R

Q

L

M

A

A

Q

Q

M

S

A

S

A

A

F

F

G

K

K

R

L

V

G

G

D

E

V

A

Q

G

E

D

I

V

A

A

D

D

V

V

A

T

F

F

L

I

A

A

S

T

D

D

E

E

A

S

R

R

W

W

I

I

T

T

G

G

Q

A

N

F

I

I

R

D

V

A

N

S

G

G

active site: G16 (= G17), S148 (= S141), Y161 (= Y154)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G12 (= G13), S14 (= S15), R15 (= R16), G16 (= G17), I17 (= I18), H35 (≠ N36), A37 (= A38), S38 (≠ G39), N39 (= N40), L64 (≠ I65), N96 (= N91), A97 (= A92), A98 (≠ G93), T100 (≠ A95), I146 (≠ F139), S147 (= S140), S148 (= S141), Y161 (= Y154), K165 (= K158), P191 (= P184), G192 (= G185), I193 (≠ P186), T194 (= T187), N196 (≠ T189)

6yq0AAA Monooxygenase (see paper)
43% identity, 99% coverage: 2:244/246 of query aligns to 1:250/254 of 6yq0AAA

query
sites
6yq0AAA

S

S

S

R

L

L

S

T

G

G

K

K

V

N

A

A

I

L

I

V

T

T

G
|
G

A

S

S
|
S

R
|
R

G
|
G

I
|
I

G

G

R

R

A

A

I

T

A

A

L

V

K

R

L

L

A

A

G

R

N

E

G

G

A

A

S

L

I

V

V

A

V

V

N
x
H

Y

Y

A
|
A

G
x
S

N
|
N

A

E

V

A

K

A

A

A

E

D

E

E

V

T

V

V

A

A

E

Q

I

I

E

E

K

R

L

E

G

G

V

G

E

R

A

A

I

F

A

P

I

V

Q

R

A

A

D

E

I
x
L

S

G

K

V

V

A

P

G

D

D

I

V

Q

H

R

E

L

L

F

F

-

L

-

G

-

L

E

E

Q

Q

T

G

L

L

-

K

E

E

H

R

F

T

G

G

K

E

-

T

V

L

D

D

I

I

L

L

V

V

N

N

N
|
N

A
|
A

G
x
A

I

V

A
x
T

F
x
G

Y

V

K

D

P

G

I

I

-

L

-

P

T

E

Q

D

V

V

S

T

E

A

E

E

D

Q

F

L

D

D

A
x
R

I

Y

F

Y

A

A

I

V

N

N

V

A

K

K

G

A

T

P

F

F

F

L

A

L

C

V

Q

Q

Q

R

A

A

A

V

Q

R

H

N

L

M

S

P

E

D

G

G

R

R

I

I

N

N

F
x
I

S
|
S

S
x
G

T
x
L

T

T

V

R

M
x
C

M

A

L

V

P

P

T

E

Y
x
Q

S

V

A

A

Y
|
Y

V

S

G

M

T

T

K
|
K

G

G

A

A

V

L

E

E

Q

Q

I

I

T

T

R

L

V

H

L

M

A

A

K

K

E

H

L

L

G

A

A

P

K

R

A

G

I

I

A

T

V

V

N

N

V

S

I

V

S

A

P
|
P

G
|
G

P
x
I

T
|
T

D

D

T
x
N

-

G

E

A

L

V

F

F

R

-

E

-

G

-

K

D

T

I

Q

P

E

E

Q

I

I

V

D

E

R

Q

L

M

A

A

Q

Q

M

S

A

S

A

A

F

F

G

K

K

R

L

V

G

G

D

E

V

A

Q

G

E

D

I

V

A

A

D

D

V

V

A

T

F

F

L

I

A

A

S

T

D

D

E

E

A

S

R

R

W

W

I

I

T

T

G

G

Q

A

N

F

I

I

R

D

V

A

N

S

G

G

active site: G16 (= G17), S148 (= S141), Y161 (= Y154)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G13), S14 (= S15), R15 (= R16), G16 (= G17), I17 (= I18), H35 (≠ N36), A37 (= A38), S38 (≠ G39), N39 (= N40), L64 (≠ I65), N96 (= N91), A97 (= A92), A98 (≠ G93), T100 (≠ A95), R117 (≠ A110), I146 (≠ F139), S147 (= S140), S148 (= S141), Y161 (= Y154), K165 (= K158), P191 (= P184), G192 (= G185), I193 (≠ P186), T194 (= T187), N196 (≠ T189)
binding (3~{R})-8-methoxy-3-methyl-3-oxidanyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione: T100 (≠ A95), G101 (≠ F96), S148 (= S141), G149 (≠ S142), L150 (≠ T143), C153 (≠ M146), Q158 (≠ Y151), Y161 (= Y154), G192 (= G185), I193 (≠ P186)

Sites not aligning to the query:

binding (3~{R})-8-methoxy-3-methyl-3-oxidanyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione: 251

1ja9A Crystal structure of 1,3,6,8-tetrahydroxynaphthalene reductase in complex with NADPH and pyroquilon (see paper)
43% identity, 98% coverage: 4:244/246 of query aligns to 4:257/259 of 1ja9A

query
sites
1ja9A

L

L

S

A

G

G

K

K

V

V

A

A

I

L

I

T

T

T

G
|
G

A

A

S

G

R
|
R

G
|
G

I
|
I

G

G

R

R

A

G

I

I

A

A

L

I

K

E

L

L

A

G

G

R

N

R

G

G

A

A

S

S

I

V

V

V

N

N

Y

Y

A
x
G

G
x
S

N
x
S

A

S

V

K

K

A

A

A

E

E

V

V

A

A

E

E

I

L

E

K

K

K

L

L

G

G

V

A

E

Q

A

G

I

V

A

A

I

I

Q

Q

A
|
A

D

D

I
|
I

S

S

K

K

V

P

P

S

D

E

I

V

Q

V

R

A

L

L

F

F

E

D

Q

K

T

A

L

V

E

S

H

H

F

F

G

G

K

G

V

L

D

D

I

F

L

V

V

M

N

S

N
|
N

A
x
S

G
|
G

I

M

A

E

F

V

Y

W

K

C

P

D

I

E

T

L

Q

E

V

V

S

T

E

Q

E

E

D

L

F

F

D

D

A

K

I

V

F

F

A

N

I
x
L

N

N

V

T

K

R

G

G

T

Q

F

F

A

V

C

A

Q

Q

A

G

A

L

Q

K

H

H

L

C

S

R

E

R

G

G

R

R

I

I

N

L

F
x
T

S

S

S
|
S

S
x
I

T

A

V

V

M

M

M

T

-

G

L

I

P

P

T

N

Y
x
H

S

A

A

L

Y
|
Y

V

A

G

G

T

S

K
|
K

G

A

A

A

V

V

E

E

Q

G

I

F

T

C

R

R

V

A

L

F

A

A

K

V

E

D

L

C

G

G

A

A

K

K

A

G

I

V

A

T

V

V

N

N

V

C

I

I

S

A

P
|
P

G

G

P
x
G

T
x
V

D

K

T
|
T

E

D

L
x
M

F
|
F

R
x
D

E

E

-

N

-
x
S

-

W

-

H

-
x
Y

-

A

-

P

-

G

-

Y

-

K

G

G

K

M

T

P

Q

Q

E

E

Q

K

I

I

D

D

R

E

-

G

L

L

A

A

Q

N

M

M

A

N

A

P

F

L

G

K

K

R

L

I

G

G

D

Y

V

P

Q

A

E

D

I

I

A

G

D

R

V

A

V

V

A

S

F

A

L

L

A

C

S

Q

D

E

E

E

A

S

R

E

W

W

I

I

T

N

G

G

Q

Q

N

V

I

I

R

K

V

L

N

T

G

G

active site: G17 (= G17), S141 (= S141), H152 (≠ Y151), Y155 (= Y154), K159 (= K158), D194 (≠ R193)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G13 (= G13), R16 (= R16), G17 (= G17), I18 (= I18), G38 (≠ A38), S39 (≠ G39), S40 (≠ N40), A63 (= A63), I65 (= I65), N91 (= N91), S92 (≠ A92), G93 (= G93), L114 (≠ I114), T139 (≠ F139), S141 (= S141), Y155 (= Y154), K159 (= K158), P185 (= P184), G187 (≠ P186), V188 (≠ T187), T190 (= T189), M192 (≠ L191)
binding pyroquilon: S141 (= S141), I142 (≠ S142), Y155 (= Y154), G187 (≠ P186), F193 (= F192), S197 (vs. gap), Y200 (vs. gap)

Sites not aligning to the query:

binding pyroquilon: 259

Query Sequence

>WP_012412770.1 NCBI__GCF_000020025.1:WP_012412770.1
MSSLSGKVAIITGASRGIGRAIALKLAGNGASIVVNYAGNAVKAEEVVAEIEKLGVEAIA
IQADISKVPDIQRLFEQTLEHFGKVDILVNNAGIAFYKPITQVSEEDFDAIFAINVKGTF
FACQQAAQHLSEGGRIINFSSSTTVMMLPTYSAYVGTKGAVEQITRVLAKELGAKAIAVN
VISPGPTDTELFREGKTQEQIDRLAQMAAFGKLGDVQEIADVVAFLASDEARWITGQNIR
VNGGIA

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