SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing N515DRAFT_0557 FitnessBrowser__Dyella79:N515DRAFT_0557 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)

5u2wA Crystal structure of a short chain dehydrogenase from burkholderia cenocepacia j2315 in complex with NADP
67% identity, 100% coverage: 1:246/246 of query aligns to 1:246/246 of 5u2wA

query
sites
5u2wA

M

M

S

N

S

R

L

L

D

Q

G

G

K

K

V

R

A

A

L

L

V

V

T

T

G
|
G

G

G

S
|
S

R
|
R

G
|
G

I
|
I

G

G

A

A

A

A

I

I

V

A

R

K

R

R

L

L

A

A

R

A

D

D

G

G

A

A

T

D

V

V

A

A

F

I

T

T

Y
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Y

V
x
E

S
x
K

S
|
S

P

A

D

E

K

R

A

A

Q

Q

A

A

L

V

V

V

Q

A

E

G

I

I

E

E

A

A

A

L

G

G

G

R

K

R

A

A

R

I

A

A

Y

I

Q

Q

A
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A

D
|
D

A
x
S

A

A

D

D

T

P

A

V

A

A

L

V

Q

R

A

N

A

A

V

V

D

D

R

R

V

V

A

A

A

E

E

A

S

F

G

G

R

G

L

L

D

D

I

I

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

I

I

F

F

L

R

G

A

G

G

A

S

F

L

E

D

D

D

T

L

T

T

L

L

E

D

D

D

F

I

E

D

R

A

T

T

M

L

A

N

V

V

N

N

V

V

R

R

A

A

V

V

F

I

V

V

A

A

S

S

Q

Q

A

A

A

A

V

A

R

R

H

H

M

L

G

G

D

E

G

G

G

G

R

R

I

I

V

V

S

S

I
x
T

G

G

S
|
S

C

C

L

L

A

A

D

T

R

R

V

V

P

P

S

D

A

A

G

G

M
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M

T

S

L

L

Y
|
Y

S

A

M

A

S

S

K
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K

S

A

A

A

L

L

S

I

A

G

F

W

T

T

R

Q

G

G

L

L

A

A

R

R

D

D

L

L

G

G

P

P

R

R

G

G

I

I

T

T

V

V

N

N

V

I

V

V

Q

H

P
|
P

G
|
G

S

S

T
|
T

D

D

T
|
T

D

D

M
|
M

N
|
N

P

P

A

A

D

D

G

G

A

A

H

H

A

A

E

D

E

A

Q

Q

R

R

G

S

R

R

M

M

A

A

I

I

K

Q

R

Q

Y

Y

G

G

D

K

A

A

S

D

N

D

I

V

A

A

G

A

M

L

V

V

A

A

W

F

L

V

A

V

S

G

E

P

E

E

G

G

R

R

F

S

A

I

N

N

G

G

A

T

A

G

F

L

T

T

I

I

D

D

G

G

G

G

A

A

N

N

A

A

active site: G17 (= G17), S141 (= S141), M152 (= M152), Y155 (= Y155), K159 (= K159)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G13), S15 (= S15), R16 (= R16), G17 (= G17), I18 (= I18), Y37 (= Y37), E38 (≠ V38), K39 (≠ S39), S40 (= S40), A63 (= A63), D64 (= D64), S65 (≠ A65), N91 (= N91), A92 (= A92), G93 (= G93), T139 (≠ I139), Y155 (= Y155), K159 (= K159), P185 (= P185), G186 (= G186), T188 (= T188), T190 (= T190), M192 (= M192), N193 (= N193)

6j7uA Crystal structure of blue fluorescent protein from metagenomic library in complex with NADPH (see paper)
61% identity, 98% coverage: 2:243/246 of query aligns to 1:244/247 of 6j7uA

query
sites
6j7uA

S

Q

S

N

L

L

D

N

G

G

K

K

V

V

A

A

L

F

V

V

T

T

G
|
G

G

G

S
|
S

R
|
R

G
|
G

I
|
I

G

G

A

A

A

A

I

I

V

V

R

R

R

R

L

L

A

A

R

A

D

D

G

G

A

A

T

D

V

I

A

A

F

F

T

T

Y
|
Y

V
|
V

S
|
S

S

A

P

S

D
x
S

K

K

-

N

-

V

A

A

Q

T

A

A

L

L

V

V

Q

Q

E

E

I

L

E

E

A

A

A

K

G

G

G

R

K

R

A

A

R

R

A

A

Y

I

Q

Q

A

A

D
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D

A
x
S

A

A

D

D

T

P

A

A

A

Q

L

V

Q

R

A

Q

A

A

V

V

D

E

R

Q

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A

A

I

A

V

E

Q

S

L

G

G

R

P

L

V

D

D

I

V

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

I

I

F

F

L

L

G

A

G

G

A

P

F

L

E

G

D

E

T

V

T

T

L

L

E

D

D

D

F

Y

E

E

R

R

T

T

M

M

A

N

V
x
I

N

N

V

V

R

R

A

A

V

P

F

F

V

V

A

A

S

I

Q

Q

A

A

A

A

V

Q

R

A

H

S

M

M

G

P

D

D

G

G

G

G

R

R

I

I

V

I

S

N

I

I

G
|
G

S
|
S

C

C

L

L

A

A

D

E

R

R

V

A

P

G

S

R

A

A

G

G

M

V

T

T

L

L

Y
|
Y

S

A

M

A

S

S

K
|
K

S

S

A

A

L

L

S

L

A

G

F

M

T

T

R

R

G

G

L

L

A

A

R

R

D

D

L

L

G

G

P

A

R

R

G

G

I

I

T

T

V

A

N

N

V

V

V

V

Q

H

P
|
P

G

G

S

P

T

I

D

D

T
|
T

D

D

M
|
M

N
|
N

P

P

A

A

D

D

G

G

A

E

H

R

A

S

E

G

E

E

Q

L

R

V

G

A

R

V

M

L

A

S

I

L

K

P

R

H

Y

Y

G

G

D

E

A

V

S

R

N

D

I

I

A

A

G

G

M

M

V

V

A

A

W

F

L

L

A

A

S

G

E

P

E

D

G

G

R

R

F

Y

A

V

N

T

G

G

A

A

A

S

F

L

T

A

I

V

D

D

G

G

G

G

active site: G16 (= G17), S142 (= S141), Y156 (= Y155)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G12 (= G13), S14 (= S15), R15 (= R16), I17 (= I18), Y36 (= Y37), V37 (= V38), S38 (= S39), S41 (≠ D42), D65 (= D64), S66 (≠ A65), N92 (= N91), A93 (= A92), G94 (= G93), I115 (≠ V114), G141 (= G140), S142 (= S141), Y156 (= Y155), K160 (= K159), P186 (= P185), T191 (= T190), M193 (= M192), N194 (= N193)

5wuwA Serratia marcescens short-chain dehydrogenase/reductase f98l/f202l mutant (see paper)
58% identity, 99% coverage: 4:246/246 of query aligns to 3:245/245 of 5wuwA

query
sites
5wuwA

L

L

D

Q

G

G

K

K

V

V

A

A

L

F

V

V

T

Q

G
|
G

G

G

S

S

R
|
R

G
|
G

I
|
I

G

G

A

A

A

A

I

I

V

V

R

K

R

R

L

L

A

A

R

S

D

E

G

G

A

A

T

A

V

V

A

A

F

F

T

T

Y
|
Y

V
x
A

S
x
A

S

S

P

A

D

D

K

R

A

A

Q

E

A

A

L

V

V

A

Q

S

E

A

I

V

E

T

A

T

A

A

G

G

G

G

K

K

A

V

R

L

A

A

Y

I

Q

K

A

A

D
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D

A
x
S

A

A

D

D

T

A

A

A

A

A

L

L

Q

Q

A

Q

A

A

V

V

D

R

R

Q

V

A

A

V

A

S

E

H

S

F

G

G

R

N

L

L

D

D

I

I

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

I

V

F

L

L

T

G

L

G

G

A

G

F

T

E

E

D

E

T

L

T

A

L

L

E

D

D

D

F

L

E

D

R

R

T

M

M

L

A

A

V

V

N

N

V

V

R

R

A

S

V

V

F

F

V

V

A

A

S

S

Q

Q

A

E

A

A

V

A

R

R

H

H

M

M

G

N

D

D

G

G

G

G

R

R

I

I

V

I

S

H

I

I

G

G

S
|
S

C

T

L

N

A

A

D

E

R

R

V

V

P

P

S

F

A

G

G

G

M

A

T

A

L

V

Y
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Y

S

A

M

M

S

S

K
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K

S

S

A

A

L
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L

S

V

A

G

F

L

T

T

R

K

G

G

L

M

A

A

R

R

D

D

L

L

G

G

P

P

R

R

G

S

I

I

T

T

V

V

N

N

V

N

V

V

Q

Q

P

P

G
|
G

S
x
P

T
x
V

D

D

T

T

D

E

M

M

N

N

P

P

A

D

D

A

G

G

A

E

H

L

A

A

E

D

E

Q

Q

L

R

K

G

Q

R

L

M

M

A

A

I

I

K

G

R

R

Y

Y

G

G

D

K

A

D

S

E

N

E

I

I

A

A

G

G

M

F

V

V

A

A

W

Y

L

L

A

A

S

G

E

P

E

Q

G

A

R

G

F

Y

A

I

N

T

G

G

A

A

A

S

F

L

T

S

I

I

D

D

G

G

G

G

A

F

N

S

A

A

active site: G16 (= G17), S140 (= S141), Y154 (= Y155), L161 (= L162)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G13), R15 (= R16), I17 (= I18), Y36 (= Y37), A37 (≠ V38), A38 (≠ S39), D63 (= D64), S64 (≠ A65), N90 (= N91), A91 (= A92), G92 (= G93), Y154 (= Y155), K158 (= K159), G185 (= G186), P186 (≠ S187), V187 (≠ T188)

P39333 Cyclic-di-GMP-binding biofilm dispersal mediator protein from Escherichia coli (strain K12) (see paper)
52% identity, 98% coverage: 1:242/246 of query aligns to 1:233/237 of P39333

query
sites
P39333

M

M

S

G

S

A

L

F

D

T

G

G

K

K

V

T

A

V

L

L

V

I

T

L

G

G

G

G

S

S

R

R

G

G

I

I

G

G

A

A

A

A

I

I

V

V

R

R

R

R

L

F

A

V

R

T

D

D

G

G

A

A

T

N

V

V

A

R

F

F

T

T

Y

Y

V

A

S

G

S

S

P

K

D

D

K

A

A

A

Q

K

A

R

L

L

V

A

Q

Q

E
|
E

I

T

E

G

A

A

A

T

G

-

G

-

K

-

A

-

R

-

A

A

Y

V

Q

F

A

T

D

D

A

S

A

A

D

D

T

-

A

-

A

-

L

-

Q

R

A

D

A

A

V

V

D

I

R

D

V

V

A

V

A

R

E

K

S

S

G

G

R

A

L

L

D

D

I

I

L

L

V

V

N

V

N

N

A

A

G

G

I

I

F

G

L

V

G

F

G

G

A

E

F

A

E

L

D

E

T

L

T

N

L

A

E

D

D

D

F

I

E

D

R

R

T

L

M

F

A

K

V

I

N

N

V

I

R

H

A

A

V

P

F

Y

V

H

A

A

S

S

Q

V

A

E

A

A

V

A

R

R

H

Q

M

M

G

P

D

E

G

G

G

G

R

R

I

I

V

L

S

I

I

I

G

G

S

S

C

V

L

N

A

G

D

D

R

R

V

M

P

P

S

V

A

A

G

G

M

M

T

A

L

A

Y

Y

S

A

M

A

S

S

K

K

S

S

A

A

L

L

S

Q

A

G

F

M

T

A

R

R

G

G

L

L

A

A

R

R

D

D

L

F

G

G

P

P

R

R

G

G

I

I

T

T

V

I

N

N

V

V

V

V

Q

Q

P

P

G

G

S

P

T

I

D

D

T

T

D

D

M

A

N

N

P

P

A

A

D

N

G

G

A

P

H

M

A

R

E

D

E

M

Q

L

R

H

G

S

R

L

M

M

A

A

I

I

K

K

R

R

Y

H

G

G

D

Q

A

P

S

E

N

E

I

V

A

A

G

G

M

M

V

V

A

A

W

W

L

L

A

A

S

G

E

P

E

E

G

A

R

S

F

F

A

V

N

T

G

G

A

A

A

M

F

H

T

T

I

I

D

D

G

G

E50 (= E50) mutation E->Q,V: Shows higher affinity for cyclic-di-GMP, increases swimming motility and biofilm dispersal. Biofilm formation is almost completely removed.

5z2lK Crystal structure of bdca in complex with NADPH (see paper)
52% identity, 98% coverage: 3:242/246 of query aligns to 2:232/244 of 5z2lK

query
sites
5z2lK

S

A

L

F

D

T

G

G

K

K

V

T

A

V

L

L

V

I

T

L

G

G

G

G

S
|
S

R
|
R

G

G

I
|
I

G

G

A

A

A

A

I

I

V

V

R

R

R

R

L

F

A

V

R

T

D

D

G

G

A

A

T

N

V

V

A

R

F

F

T

T

Y
|
Y

V
x
A

S
x
G

S
|
S

P

K

D

D

K

A

A

A

Q

K

A

R

L

L

V

A

Q

Q

E

E

I

T

E

G

A

A

A

T

G

-

G

-

K

-

A

-

R

-

A

A

Y

V

Q

F

A
x
T

D
|
D

A
x
S

A

A

D

D

T

-

A

-

A

-

L

-

Q

R

A

D

A

A

V

V

D

I

R

D

V

V

A

V

A

R

E

K

S

S

G

G

R

A

L

L

D

D

I

I

L

L

V

V

N

V

N
|
N

A
|
A

G
|
G

I

I

F

G

L

V

G

F

G

G

A

E

F

A

E

L

D

E

T

L

T

N

L

A

E

D

D

D

F

I

E

D

R

R

T

L

M

F

A

K

V

I

N

N

V

I

R

H

A

A

V

P

F

Y

V

H

A

A

S

S

Q

V

A

E

A

A

V

A

R

R

H

Q

M

M

G

P

D

E

G

G

G

G

R

R

I

I

V

L

S

I

I
|
I

G

G

S
|
S

C

V

L

N

A

G

D

D

R

R

V

M

P

P

S

V

A

A

G

G

M

M

T

A

L

A

Y
|
Y

S

A

M

A

S

S

K
|
K

S

S

A

A

L

L

S

Q

A

G

F

M

T

A

R

R

G

G

L

L

A

A

R

R

D

D

L

F

G

G

P

P

R

R

G

G

I

I

T

T

V

I

N

N

V

V

V

V

Q

Q

P
|
P

G

G

S

P

T
x
I

D

D

T
|
T

D

D

M
x
A

N
|
N

P

P

A

A

D

N

G

G

A

P

H

M

A

R

E

D

E

M

Q

L

R

H

G

S

R

L

M

M

A

A

I

I

K

K

R

R

Y

H

G

G

D

Q

A

P

S

E

N

E

I

V

A

A

G

G

M

M

V

V

A

A

W

W

L

L

A

A

S

G

E

P

E

E

G

A

R

S

F

F

A

V

N

T

G

G

A

A

A

M

F

H

T

T

I

I

D

D

G

G

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: S14 (= S15), R15 (= R16), I17 (= I18), Y36 (= Y37), A37 (≠ V38), G38 (≠ S39), S39 (= S40), T57 (≠ A63), D58 (= D64), S59 (≠ A65), N81 (= N91), A82 (= A92), G83 (= G93), I129 (= I139), S131 (= S141), Y145 (= Y155), K149 (= K159), P175 (= P185), I178 (≠ T188), T180 (= T190), A182 (≠ M192), N183 (= N193)

4fj1B Crystal structure of the ternary complex between a fungal 17beta- hydroxysteroid dehydrogenase (holo form) and genistein (see paper)
40% identity, 98% coverage: 4:244/246 of query aligns to 5:258/259 of 4fj1B

query
sites
4fj1B

L

L

D

D

G

G

K

K

V

V

A

A

L

L

V

V

T

T

G
|
G

G

S

S

G

R
|
R

G
|
G

I
|
I

G

G

A

A

A

A

I

V

V

A

R

V

R

H

L

L

A

G

R

R

D

L

G

G

A

A

T

K

V

V

A

V

F

V

T

N

Y

Y

V
x
A

S
x
N

S
|
S

P

T

D

K

K

D

A

A

Q

E

A

K

L

V

V

V

Q

S

E

E

I

I

E

K

A

A

A

L

G

G

G

S

K

D

A

A

R

I

A

A

Y

I

Q

K

A

A

D

D

A
x
I

A

R

D

Q

T

V

A

P

A

E

L

I

Q

V

A

K

A

L

V

F

D

D

R

Q

V

A

A

V

A

A

E

H

S

F

G

G

R

H

L

L

D

D

I

I

L

A

V

V

N

S

N
|
N

A
x
S

G
|
G

I

V

F

V

L

S

G

F

G

G

A

H

F

L

E

K

D

D

T

V

T

T

L

E

E

E

D

E

F

F

E

D

R

R

T

V

M

F

A

S

V
x
L

N

N

V

T

R

R

A

G

V

Q

F

F

V

F

A

V

S

A

Q

R

A

E

A

A

V

Y

R

R

H

H

M

L

G

T

D

E

G

G

G

G

R

R

I

I

V

V

S

L

I
x
T

G

S

S
|
S

C
x
N

L

T

A

S

D

K

R

D

V

F

P

S

S

V

A

P

G

K

M
x
H

T

S

L

L

Y
|
Y

S

S

M

G

S

S

K
|
K

S

G

A

A

L

V

S

D

A

S

F

F

T

V

R

R

G

I

L

F

A

S

R

K

D

D

L

C

G

G

P

D

R

K

G

K

I

I

T

T

V

V

N

N

V

A

V

V

Q

A

P

P

G
|
G

S
x
G

T
|
T

D

V

T
|
T

D

D

M
|
M

N
x
F

-

H

-

E

-

V

-
x
S

-

H

-

H

-
x
Y

-
x
I

P

P

A

N

D

G

G

T

A

S

H

Y

A

T

E

A

E

E

Q

Q

R

R

G

Q

R

Q

M
|
M

A
|
A

-

A

-

H

-

A

-

S

-

P

I

L

K

H

R

R

Y

N

G

G

D

W

A

P

S

Q

N

D

I

V

A

A

G

N

M

V

V

V

A

G

W

F

L

L

A

V

S

S

E

K

E

E

G

G

R

E

F

W

A

V

N

N

G

G

A

K

A

V

F

L

T

T

I

L

D

D

G

G

G

G

A

A

active site: G18 (= G17), S142 (= S141), N143 (≠ C142), H153 (≠ M152), Y156 (= Y155), K160 (= K159), Y201 (vs. gap)
binding genistein: G188 (≠ S187), F194 (≠ N193), S198 (vs. gap), Y201 (vs. gap), I202 (vs. gap), M216 (= M207), A217 (= A208)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G14 (= G13), R17 (= R16), G18 (= G17), I19 (= I18), A39 (≠ V38), N40 (≠ S39), S41 (= S40), I66 (≠ A65), N92 (= N91), S93 (≠ A92), G94 (= G93), L115 (≠ V114), T140 (≠ I139), S142 (= S141), Y156 (= Y155), K160 (= K159), G187 (= G186), T189 (= T188), T191 (= T190), M193 (= M192)

4fj2B Crystal structure of the ternary complex between a fungal 17beta- hydroxysteroid dehydrogenase (holo form) and biochanin a (see paper)
40% identity, 98% coverage: 4:244/246 of query aligns to 6:259/260 of 4fj2B

query
sites
4fj2B

L

L

D

D

G

G

K

K

V

V

A

A

L

L

V

V

T

T

G
|
G

G

S

S

G

R
|
R

G
|
G

I
|
I

G

G

A

A

A

A

I

V

V

A

R

V

R

H

L

L

A

G

R

R

D

L

G

G

A

A

T

K

V

V

A

V

F

V

T

N

Y

Y

V
x
A

S
x
N

S
|
S

P

T

D

K

K

D

A

A

Q

E

A

K

L

V

V

V

Q

S

E

E

I

I

E

K

A

A

A

L

G

G

G

S

K

D

A

A

R

I

A

A

Y

I

Q

K

A

A

D

D

A
x
I

A

R

D

Q

T

V

A

P

A

E

L

I

Q

V

A

K

A

L

V

F

D

D

R

Q

V

A

A

V

A

A

E

H

S

F

G

G

R

H

L

L

D

D

I

I

L

A

V

V

N

S

N
|
N

A
x
S

G
|
G

I

V

F

V

L

S

G

F

G

G

A

H

F

L

E

K

D

D

T

V

T

T

L

E

E

E

D

E

F

F

E

D

R

R

T

V

M

F

A

S

V
x
L

N

N

V

T

R

R

A

G

V

Q

F

F

V

F

A

V

S

A

Q

R

A

E

A

A

V

Y

R

R

H

H

M

L

G

T

D

E

G

G

G

G

R

R

I

I

V

V

S

L

I
x
T

G

S

S
|
S

C
x
N

L

T

A

S

D

K

R

D

V

F

P

S

S

V

A

P

G

K

M
x
H

T

S

L

L

Y
|
Y

S

S

M

G

S

S

K
|
K

S

G

A

A

L

V

S

D

A

S

F

F

T

V

R

R

G

I

L

F

A

S

R

K

D

D

L

C

G

G

P

D

R

K

G

K

I

I

T

T

V

V

N

N

V

A

V

V

Q

A

P

P

G
|
G

S
x
G

T
|
T

D

V

T
|
T

D

D

M
|
M

N
x
F

-

H

-

E

-
x
V

-
x
S

-

H

-

H

-
x
Y

-
x
I

P

P

A

N

D

G

G

T

A

S

H

Y

A

T

E

A

E

E

Q

Q

R

R

G

Q

R

Q

M
|
M

A
|
A

-

A

-

H

-

A

-

S

-

P

I

L

K

H

R

R

Y

N

G

G

D

W

A

P

S

Q

N

D

I

V

A

A

G

N

M

V

V

V

A

G

W

F

L

L

A

V

S

S

E

K

E

E

G

G

R

E

F

W

A

V

N

N

G

G

A

K

A

V

F

L

T

T

I

L

D

D

G

G

G

G

A

A

active site: G19 (= G17), S143 (= S141), N144 (≠ C142), H154 (≠ M152), Y157 (= Y155), K161 (= K159), Y202 (vs. gap)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G13), R18 (= R16), G19 (= G17), I20 (= I18), A40 (≠ V38), N41 (≠ S39), S42 (= S40), I67 (≠ A65), N93 (= N91), S94 (≠ A92), G95 (= G93), L116 (≠ V114), T141 (≠ I139), Y157 (= Y155), K161 (= K159), G188 (= G186), G189 (≠ S187), T190 (= T188), T192 (= T190), M194 (= M192)
binding 5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one: G189 (≠ S187), F195 (≠ N193), V198 (vs. gap), S199 (vs. gap), Y202 (vs. gap), I203 (vs. gap), M217 (= M207), A218 (= A208)

3qwiA Crystal structure of a 17beta-hydroxysteroid dehydrogenase (holo form) from fungus cochliobolus lunatus in complex with NADPH and coumestrol (see paper)
40% identity, 98% coverage: 4:244/246 of query aligns to 6:259/260 of 3qwiA

query
sites
3qwiA

L

L

D

D

G

G

K

K

V

V

A

A

L

L

V

V

T

T

G
|
G

G

S

S

G

R
|
R

G
|
G

I
|
I

G

G

A

A

A

A

I

V

V

A

R

V

R

H

L

L

A

G

R

R

D

L

G

G

A

A

T

K

V

V

A

V

F

V

T

N

Y

Y

V
x
A

S
x
N

S
|
S

P

T

D

K

K

D

A

A

Q

E

A

K

L

V

V

V

Q

S

E

E

I

I

E

K

A

A

A

L

G

G

G

S

K

D

A

A

R

I

A

A

Y

I

Q

K

A

A

D

D

A
x
I

A

R

D

Q

T

V

A

P

A

E

L

I

Q

V

A

K

A

L

V

F

D

D

R

Q

V

A

A

V

A

A

E

H

S

F

G

G

R

H

L

L

D

D

I

I

L

A

V

V

N

S

N
|
N

A
x
S

G
|
G

I

V

F

V

L

S

G

F

G

G

A

H

F

L

E

K

D

D

T

V

T

T

L

E

E

E

D

E

F

F

E

D

R

R

T

V

M

F

A

S

V
x
L

N

N

V

T

R

R

A

G

V

Q

F

F

V

F

A

V

S

A

Q

R

A

E

A

A

V

Y

R

R

H

H

M

L

G

T

D

E

G

G

G

G

R

R

I

I

V

V

S

L

I
x
T

G

S

S
|
S

C
x
N

L

T

A

S

D

K

R

D

V
x
F

P

S

S

V

A

P

G

K

M
x
H

T

S

L

L

Y
|
Y

S

S

M

G

S

S

K
|
K

S

G

A

A

L

V

S

D

A

S

F

F

T

V

R

R

G

I

L

F

A

S

R

K

D

D

L

C

G

G

P

D

R

K

G

K

I

I

T

T

V

V

N

N

V

A

V

V

Q

A

P
|
P

G
|
G

S
x
G

T
|
T

D

V

T
|
T

D

D

M
|
M

N

F

-

H

-

E

-

V

-

S

-

H

-

H

-
x
Y

-
x
I

P

P

A

N

D

G

G

T

A

S

H

Y

A

T

E

A

E

E

Q

Q

R

R

G

Q

R

Q

M

M

A
|
A

-

A

-

H

-

A

-

S

-

P

I

L

K

H

R

R

Y

N

G

G

D

W

A

P

S

Q

N

D

I

V

A

A

G

N

M

V

V

V

A

G

W

F

L

L

A

V

S

S

E

K

E

E

G

G

R

E

F

W

A

V

N

N

G

G

A

K

A

V

F

L

T

T

I

L

D

D

G

G

G

G

A

A

active site: G19 (= G17), S143 (= S141), N144 (≠ C142), H154 (≠ M152), Y157 (= Y155), K161 (= K159), Y202 (vs. gap)
binding Coumestrol: F149 (≠ V147), G189 (≠ S187), M194 (= M192), Y202 (vs. gap), I203 (vs. gap), A218 (= A208)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G13), R18 (= R16), I20 (= I18), A40 (≠ V38), N41 (≠ S39), S42 (= S40), I67 (≠ A65), N93 (= N91), S94 (≠ A92), G95 (= G93), L116 (≠ V114), T141 (≠ I139), Y157 (= Y155), K161 (= K159), P187 (= P185), G188 (= G186), G189 (≠ S187), T190 (= T188), T192 (= T190), M194 (= M192)

3qwhA Crystal structure of the 17beta-hydroxysteroid dehydrogenase from cochliobolus lunatus in complex with NADPH and kaempferol (see paper)
40% identity, 98% coverage: 4:244/246 of query aligns to 6:259/260 of 3qwhA

query
sites
3qwhA

L

L

D

D

G

G

K

K

V

V

A

A

L

L

V

V

T

T

G
|
G

G

S

S

G

R
|
R

G
|
G

I
|
I

G

G

A

A

A

A

I

V

V

A

R

V

R

H

L

L

A

G

R

R

D

L

G

G

A

A

T

K

V

V

A

V

F

V

T

N

Y

Y

V
x
A

S
x
N

S
|
S

P

T

D

K

K

D

A

A

Q

E

A

K

L

V

V

V

Q

S

E

E

I

I

E

K

A

A

A

L

G

G

G

S

K

D

A

A

R

I

A

A

Y

I

Q

K

A

A

D
|
D

A
x
I

A

R

D

Q

T

V

A

P

A

E

L

I

Q

V

A

K

A

L

V

F

D

D

R

Q

V

A

A

V

A

A

E

H

S

F

G

G

R

H

L

L

D

D

I

I

L

A

V

V

N

S

N
|
N

A
x
S

G
|
G

I

V

F

V

L

S

G

F

G

G

A

H

F

L

E

K

D

D

T

V

T

T

L

E

E

E

D

E

F

F

E

D

R

R

T

V

M

F

A

S

V
x
L

N

N

V

T

R

R

A

G

V

Q

F

F

V

F

A

V

S

A

Q

R

A

E

A

A

V

Y

R

R

H

H

M

L

G

T

D

E

G

G

G

G

R

R

I

I

V

V

S

L

I
x
T

G

S

S
|
S

C
x
N

L

T

A

S

D

K

R

D

V
x
F

P

S

S

V

A

P

G

K

M
x
H

T

S

L

L

Y
|
Y

S

S

M

G

S

S

K
|
K

S

G

A

A

L

V

S

D

A

S

F

F

T

V

R

R

G

I

L

F

A

S

R

K

D

D

L

C

G

G

P

D

R

K

G

K

I

I

T

T

V

V

N

N

V

A

V

V

Q

A

P
|
P

G
|
G

S
x
G

T
|
T

D

V

T
|
T

D

D

M
|
M

N
x
F

-

H

-

E

-

V

-
x
S

-

H

-

H

-
x
Y

-
x
I

P

P

A

N

D

G

G

T

A

S

H

Y

A

T

E

A

E

E

Q

Q

R

R

G

Q

R

Q

M

M

A
|
A

-

A

-

H

-

A

-

S

-

P

I

L

K

H

R

R

Y

N

G

G

D

W

A

P

S

Q

N

D

I

V

A

A

G

N

M

V

V

V

A

G

W

F

L

L

A

V

S

S

E

K

E

E

G

G

R

E

F

W

A

V

N

N

G

G

A

K

A

V

F

L

T

T

I

L

D

D

G

G

G

G

A

A

active site: G19 (= G17), S143 (= S141), N144 (≠ C142), H154 (≠ M152), Y157 (= Y155), K161 (= K159), Y202 (vs. gap)
binding 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4h-chromen-4-one: N144 (≠ C142), F149 (≠ V147), G189 (≠ S187), F195 (≠ N193), S199 (vs. gap), Y202 (vs. gap), I203 (vs. gap), A218 (= A208)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G13), R18 (= R16), G19 (= G17), I20 (= I18), A40 (≠ V38), N41 (≠ S39), S42 (= S40), D66 (= D64), I67 (≠ A65), N93 (= N91), S94 (≠ A92), G95 (= G93), L116 (≠ V114), T141 (≠ I139), Y157 (= Y155), K161 (= K159), P187 (= P185), G188 (= G186), G189 (≠ S187), T190 (= T188), T192 (= T190), M194 (= M192)

4fj0D Crystal structure of the ternary complex between a fungal 17beta- hydroxysteroid dehydrogenase (holo form) and 3,7-dihydroxy flavone (see paper)
40% identity, 98% coverage: 4:244/246 of query aligns to 7:260/261 of 4fj0D

query
sites
4fj0D

L

L

D

D

G

G

K

K

V

V

A

A

L

L

V

V

T

T

G
|
G

G

S

S

G

R
|
R

G
|
G

I
|
I

G

G

A

A

A

A

I

V

V

A

R

V

R

H

L

L

A

G

R

R

D

L

G

G

A

A

T

K

V

V

A

V

F

V

T

N

Y

Y

V
x
A

S
x
N

S
|
S

P

T

D

K

K

D

A

A

Q

E

A

K

L

V

V

V

Q

S

E

E

I

I

E

K

A

A

A

L

G

G

G

S

K

D

A

A

R

I

A

A

Y

I

Q

K

A

A

D

D

A
x
I

A

R

D

Q

T

V

A

P

A

E

L

I

Q

V

A

K

A

L

V

F

D

D

R

Q

V

A

A

V

A

A

E

H

S

F

G

G

R

H

L

L

D

D

I

I

L

A

V

V

N

S

N
|
N

A
x
S

G
|
G

I

V

F

V

L

S

G

F

G

G

A

H

F

L

E

K

D

D

T

V

T

T

L

E

E

E

D

E

F

F

E

D

R

R

T

V

M

F

A

S

V
x
L

N

N

V

T

R

R

A

G

V

Q

F

F

V

F

A

V

S

A

Q

R

A

E

A

A

V

Y

R

R

H

H

M

L

G

T

D

E

G

G

G

G

R

R

I

I

V

V

S

L

I
x
T

G

S

S
|
S

C
x
N

L

T

A

S

D

K

R

D

V

F

P

S

S

V

A

P

G

K

M
x
H

T

S

L

L

Y
|
Y

S

S

M

G

S

S

K
|
K

S

G

A

A

L

V

S

D

A

S

F

F

T

V

R

R

G

I

L

F

A

S

R

K

D

D

L

C

G

G

P

D

R

K

G

K

I

I

T

T

V

V

N

N

V

A

V

V

Q

A

P
|
P

G
|
G

S
x
G

T
|
T

D

V

T
|
T

D

D

M
|
M

N
x
F

-

H

-

E

-

V

-
x
S

-

H

-

H

-
x
Y

-

I

P

P

A

N

D

G

G

T

A

S

H

Y

A

T

E

A

E

E

Q

Q

R

R

G

Q

R

Q

M

M

A
|
A

-

A

-

H

-

A

-

S

-

P

I

L

K

H

R

R

Y

N

G

G

D

W

A

P

S

Q

N

D

I

V

A

A

G

N

M

V

V

V

A

G

W

F

L

L

A

V

S

S

E

K

E

E

G

G

R

E

F

W

A

V

N

N

G

G

A

K

A

V

F

L

T

T

I

L

D

D

G

G

G

G

A

A

active site: G20 (= G17), S144 (= S141), N145 (≠ C142), H155 (≠ M152), Y158 (= Y155), K162 (= K159), Y203 (vs. gap)
binding 3,7-dihydroxy-2-phenyl-4H-chromen-4-one: S144 (= S141), N145 (≠ C142), G190 (≠ S187), F196 (≠ N193), S200 (vs. gap), Y203 (vs. gap), A219 (= A208)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G16 (= G13), R19 (= R16), G20 (= G17), I21 (= I18), A41 (≠ V38), N42 (≠ S39), S43 (= S40), I68 (≠ A65), N94 (= N91), S95 (≠ A92), G96 (= G93), L117 (≠ V114), T142 (≠ I139), Y158 (= Y155), K162 (= K159), P188 (= P185), G189 (= G186), G190 (≠ S187), T191 (= T188), T193 (= T190), M195 (= M192)

8hfkA Crystal structure of cbar mutant (h162f) in complex with NADP+ and halogenated aryl ketone (see paper)
40% identity, 98% coverage: 4:244/246 of query aligns to 6:258/259 of 8hfkA

query
sites
8hfkA

L

L

D

D

G

G

K

K

V

V

A

A

L

L

V

V

T

T

G
|
G

G

S

S

G

R
|
R

G

G

I
|
I

G

G

A

A

A

A

I

V

V

A

R

V

R

H

L

L

A

G

R

L

D

L

G

G

A

A

T

K

V

V

A

V

F

V

T

N

Y

Y

V
x
A

S
x
N

S
|
S

P

P

D

T

K

H

A

A

Q

Q

A

K

L

V

V

V

Q

D

E

E

I

I

E

K

A

Q

A

L

G

G

G

S

K

D

A

A

R

I

A

A

Y

I

Q

K

A

A

D
|
D

A

V

A

R

D

Q

T

V

A

P

A

E

L

I

Q

V

A

R

A

L

V

F

D

D

R

E

V

A

A

V

A

A

E

H

S

F

G

G

R

Q

L

L

D

D

I

I

L

A

V

V

N

S

N
|
N

A
x
S

G

G

I

V

F

V

L

S

G

F

G

G

A

H

F

L

E

K

D

D

T

V

T

T

L

E

E

E

D

E

F

F

E

D

R

R

T

V

M

F

A

S

V
x
L

N

N

V

T

R

R

A

G

V

Q

F

F

V

F

A

V

S

A

Q

R

A

E

A

A

V

Y

R

K

H

H

M

L

G

N

D

N

G

G

G

G

R

R

I

I

V

I

S

M

I
x
T

G

S

S
|
S

C
x
N

L
x
T

A

S

-

R

D

D

R

S

V

V

P

P

S

K

A

-

G

-

M
x
F

T

S

L

L

Y
|
Y

S

S

M

G

S

S

K
|
K

S

G

A

A

L

I

S

D

A

S

F

F

T

V

R

R

G

I

L

F

A

S

R

K

D

D

L

C

G

G

P

D

R

K

G

K

I

I

T

T

V

V

N

N

V

A

V

V

Q

A

P
|
P

G
|
G

S
x
G

T
|
T

D

V

T
|
T

D

D

M
|
M

N

F

-

H

-

D

-
x
V

-

S

-

Q

-

H

-

Y

-

I

P

P

A

N

D

G

G

E

A

T

H

Y

A

T

E

P

E

E

Q

E

R

R

G

Q

R

K

M

M

A

A

-

A

-

H

-

A

-

S

-

P

I

L

K

H

R

R

Y

N

G

G

D

F

A

P

S

E

N

D

I

I

A

A

G

R

M

V

V

V

A

G

W

F

L

L

A

V

S

S

E

A

E

E

G

G

R

E

F

W

A

I

N

N

G

G

A

K

A

V

F

L

T

T

I

V

D

D

G

G

G

G

A

A

binding 2-bromanyl-1-(4-bromanyl-2-oxidanyl-phenyl)ethanone: S143 (= S141), N144 (≠ C142), T145 (≠ L143), F153 (≠ M152), Y156 (= Y155), G187 (= G186), M193 (= M192), V197 (vs. gap)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G13), R18 (= R16), I20 (= I18), A40 (≠ V38), N41 (≠ S39), S42 (= S40), D66 (= D64), N93 (= N91), S94 (≠ A92), L116 (≠ V114), T141 (≠ I139), Y156 (= Y155), K160 (= K159), P186 (= P185), G187 (= G186), G188 (≠ S187), T189 (= T188), T191 (= T190), M193 (= M192)

Sites not aligning to the query:

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

8hfjC Crystal structure of cbar mutant (h162f) in complex with NADP+ and a bulky 1,3-cyclodiketone (see paper)
39% identity, 98% coverage: 4:244/246 of query aligns to 6:259/260 of 8hfjC

query
sites
8hfjC

L

L

D

D

G

G

K

K

V

V

A

A

L

L

V

V

T

T

G
|
G

G

S

S

G

R
|
R

G

G

I
|
I

G

G

A

A

A

A

I

V

V

A

R

V

R

H

L

L

A

G

R

L

D

L

G

G

A

A

T

K

V

V

A

V

F

V

T

N

Y
|
Y

V
x
A

S
x
N

S
|
S

P

P

D

T

K

H

A

A

Q

Q

A

K

L

V

V

V

Q

D

E

E

I

I

E

K

A

Q

A

L

G

G

G

S

K

D

A

A

R

I

A

A

Y

I

Q

K

A

A

D
|
D

A
x
V

A

R

D

Q

T

V

A

P

A

E

L

I

Q

V

A

R

A

L

V

F

D

D

R

E

V

A

A

V

A

A

E

H

S

F

G

G

R

Q

L

L

D

D

I

I

L

A

V

V

N

S

N
|
N

A
x
S

G

G

I

V

F

V

L

S

G

F

G

G

A

H

F

L

E

K

D

D

T

V

T

T

L

E

E

E

D

E

F

F

E

D

R

R

T

V

M

F

A

S

V
x
L

N

N

V

T

R

R

A

G

V

Q

F

F

V

F

A

V

S

A

Q

R

A

E

A

A

V

Y

R

K

H

H

M

L

G

N

D

N

G

G

G

G

R

R

I

I

V

I

S

M

I
x
T

G

S

S

S

C
x
N

L
x
T

A

S

D

R

R

D

V

F

P

S

S

V

A

P

G

K

M
x
F

T

S

L

L

Y
|
Y

S

S

M

G

S

S

K
|
K

S

G

A

A

L

I

S

D

A

S

F

F

T

V

R

R

G

I

L

F

A

S

R

K

D

D

L

C

G

G

P

D

R

K

G

K

I

I

T

T

V

V

N

N

V

A

V

V

Q

A

P
|
P

G

G

S
x
G

T
|
T

D

V

T
|
T

D

D

M
|
M

N

F

-

H

-

D

-
x
V

-

S

-

Q

-

H

-

Y

-

I

P

P

A

N

D

G

G

E

A

T

H

Y

A

T

E

P

E

E

Q

E

R

R

G

Q

R

K

M

M

A

A

-

A

-

H

-

A

-

S

-

P

I

L

K

H

R

R

Y

N

G

G

D

F

A

P

S

E

N

D

I

I

A

A

G

R

M

V

V

V

A

G

W

F

L

L

A

V

S

S

E

A

E

E

G

G

R

E

F

W

A

I

N

N

G

G

A

K

A

V

F

L

T

T

I

V

D

D

G

G

G

G

A

A

binding 2-methyl-2-[(4-methylphenyl)methyl]cyclopentane-1,3-dione: N144 (≠ C142), T145 (≠ L143), F154 (≠ M152), G189 (≠ S187), V198 (vs. gap)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G13), R18 (= R16), I20 (= I18), Y39 (= Y37), A40 (≠ V38), N41 (≠ S39), S42 (= S40), D66 (= D64), V67 (≠ A65), N93 (= N91), S94 (≠ A92), L116 (≠ V114), T141 (≠ I139), Y157 (= Y155), K161 (= K159), P187 (= P185), T190 (= T188), T192 (= T190), M194 (= M192)

Sites not aligning to the query:

binding 2-methyl-2-[(4-methylphenyl)methyl]cyclopentane-1,3-dione: 260

7yb2D Crystal structure of anthrol reductase (cbar) in complex with NADP+ and emodin (see paper)
39% identity, 98% coverage: 4:244/246 of query aligns to 10:263/264 of 7yb2D

query
sites
7yb2D

L

L

D

D

G

G

K

K

V

V

A

A

L

L

V

V

T

T

G
|
G

G

S

S

G

R
|
R

G
|
G

I
|
I

G

G

A

A

A

A

I

V

V

A

R

V

R

H

L

L

A

G

R

L

D

L

G

G

A

A

T

K

V

V

A

V

F

V

T

N

Y
|
Y

V
x
A

S
x
N

S
|
S

P

P

D

T

K

H

A

A

Q

Q

A

K

L

V

V

V

Q

D

E

E

I

I

E

K

A

Q

A

L

G

G

G

S

K

D

A

A

R

I

A

A

Y

I

Q

K

A

A

D
|
D

A
x
V

A

R

D

Q

T

V

A

P

A

E

L

I

Q

V

A

R

A

L

V

F

D

D

R

E

V

A

A

V

A

A

E

H

S

F

G

G

R

Q

L

L

D

D

I

I

L

A

V

V

N

S

N
|
N

A
x
S

G

G

I

V

F

V

L

S

G

F

G

G

A

H

F

L

E

K

D

D

T

V

T

T

L

E

E

E

D

E

F

F

E

D

R

R

T

V

M

F

A

S

V
x
L

N

N

V

T

R

R

A

G

V

Q

F

F

V

F

A

V

S

A

Q

R

A

E

A

A

V

Y

R

K

H

H

M

L

G

N

D

N

G

G

G

G

R

R

I

I

V

I

S

M

I
x
T

G

S

S
|
S

C

N

L

T

A

S

D

R

R

D

V

F

P

S

S

V

A

P

G

K

M

H

T

S

L

L

Y
|
Y

S

S

M

G

S

S

K
|
K

S

G

A

A

L

I

S

D

A

S

F

F

T

V

R

R

G

I

L

F

A

S

R

K

D

D

L

C

G

G

P

D

R

K

G

K

I

I

T

T

V

V

N

N

V

A

V

V

Q

A

P
|
P

G
|
G

S
x
G

T
|
T

D

V

T
|
T

D

D

M
|
M

N
x
F

-

H

-

D

-
x
V

-
x
S

-

Q

-

H

-
x
Y

-

I

P

P

A

N

D

G

G

E

A

T

H

Y

A

T

E

P

E

E

Q

E

R

R

G

Q

R

K

M

M

A

A

-

A

-

H

-

A

-

S

-

P

I

L

K

H

R

R

Y

N

G

G

D

F

A

P

S

E

N

D

I

I

A

A

G

R

M

V

V

V

A

G

W

F

L

L

A

V

S

S

E

A

E

E

G

G

R

E

F

W

A

I

N

N

G

G

A

K

A

V

F

L

T

T

I

V

D

D

G

G

G

G

A

A

binding 3-methyl-1,6,8-trihydroxyanthraquinone: S147 (= S141), Y161 (= Y155), G193 (≠ S187), M198 (= M192), F199 (≠ N193), 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 (≠ V38), N45 (≠ S39), S46 (= S40), D70 (= D64), V71 (≠ A65), N97 (= N91), S98 (≠ A92), L120 (≠ V114), T145 (≠ I139), S147 (= S141), Y161 (= Y155), K165 (= K159), P191 (= P185), G192 (= G186), T194 (= T188), T196 (= T190), M198 (= M192)

7v0hG Crystal structure of putative glucose 1-dehydrogenase from burkholderia cenocepacia in complex with NADP and a potential reaction product
41% identity, 100% coverage: 1:245/246 of query aligns to 6:253/253 of 7v0hG

query
sites
7v0hG

M

M

S

S

S

K

L

L

D

A

G

G

K

K

V

V

A

A

L

I

V

V

T

T

G
|
G

G

A

S
|
S

R
x
K

G
|
G

I
|
I

G

G

A

A

A

A

I

I

V

A

R

K

R

A

L

L

A

A

R

D

D

E

G

G

A

A

T

A

V

V

A

V

F

V

T

N

Y

Y

V
x
A

S
|
S

S
|
S

P

K

D

A

K

G

A

A

Q

D

A

A

L

V

V

V

Q

S

E

A

I

I

E

T

A

E

A

A

G

G

G

G

K

R

A

A

R

V

A

A

Y

V

Q

G

A
x
G

D
|
D

A
x
V

A

S

D

K

T

A

A

A

A

D

L

A

Q

Q

A

R

A

I

V

V

D

D

R

T

V

A

A

I

A

E

E

T

S

Y

G

G

R

R

L

L

D

D

I

V

L

L

V

V

N

N

N
|
N

A
x
S

G
|
G

I

V

F
x
Y

L

E

G

F

G

A

A

P

F

I

E

E

D

A

T

I

T

T

L

E

E

E

D

H

F

Y

E

R

R

R

T

Q

M

F

A

D

V

T

N

N

V

V

R

F

A

G

V

V

F

L

V

L

A

T

S

T

Q

Q

A

A

A

A

V

V

R

K

H

H

M

L

G

G

D

E

G

G

G

A

R

S

I

I

V

I

S

N

I
|
I

G

S

S
|
S

C

V

L

V

A

T

D

S

R

I

V

T

P

P

S

P

A

A

G

S

M

-

T

A

L

V

Y
|
Y

S

S

M

G

S

T

K
|
K

S

G

A

A

L

V

S

D

A

A

F

I

T

T

R

G

G

V

L

L

A

A

R

L

D

E

L

L

G

G

P

P

R

R

G

K

I

I

T

R

V

V

N

N

V

A

V

I

Q

N

P
|
P

G
|
G

S
x
M

T
x
I

D

V

T
|
T

D

E

M
x
G

N
x
T

P

H

A

S

D

A

-

G

-
x
I

-

I

G

G

A

S

H

D

A

L

E

E

E

A

Q

Q

-

V

R

L

G

G

R

Q

M

T

A

P

I

L

K

G

R

R

Y

L

G

G

D

E

A

P

S

N

N

D

I

I

A

A

G

S

M

V

V

A

A

V

W

F

L

L

A

A

S

S

E

D

E

D

G

A

R

R

F

W

A

M

N

T

G

G

A

E

A

H

F

L

T

V

I

V

D

S

G

G

G

G

A

L

N

N

binding nadp nicotinamide-adenine-dinucleotide phosphate: G18 (= G13), S20 (= S15), K21 (≠ R16), G22 (= G17), I23 (= I18), A43 (≠ V38), S44 (= S39), S45 (= S40), G68 (≠ A63), D69 (= D64), V70 (≠ A65), N96 (= N91), S97 (≠ A92), G98 (= G93), Y100 (≠ F95), I144 (= I139), S146 (= S141), Y159 (= Y155), K163 (= K159), P189 (= P185), G190 (= G186), M191 (≠ S187), I192 (≠ T188), T194 (= T190), G196 (≠ M192), T197 (≠ N193)
binding (2R)-2-(hydroxymethyl)pentanedioic acid: S146 (= S141), Y159 (= Y155), M191 (≠ S187), I202 (vs. gap)

3iccA Crystal structure of a putative 3-oxoacyl-(acyl carrier protein) reductase from bacillus anthracis at 1.87 a resolution (see paper)
40% identity, 99% coverage: 2:244/246 of query aligns to 3:253/255 of 3iccA

query
sites
3iccA

S

S

S

M

L

L

D

K

G

G

K

K

V

V

A

A

L

L

V

V

T

T

G
|
G

G

A

S
|
S

R
|
R

G
|
G

I
|
I

G

G

A

R

A

A

I

I

V

A

R

K

R

R

L

L

A

A

R

N

D

D

G

G

A

A

T

L

V

V

A

A

F

I

T
x
H

Y
|
Y

V
x
G

S

N

S

R

P

K

D

E

K

E

A

A

Q

E

A

E

L

T

V

V

Q

Y

E

E

I

I

E

Q

A

S

A

N

G

G

G

G

K

S

A

A

R

F

A

S

Y

I

Q

G

A

A

D

N

A
x
L

A
x
E

D

S

T

L

A

H

A

G

L

V

Q

E

A

A

A

L

V

Y

D

S

R

S

V

L

A

D

A

N

E

E

-

L

-

Q

-

N

-

R

-

T

-

G

S

S

G

T

R

K

L

F

D

D

I

I

L

L

V

I

N

N

N
|
N

A

A

G
|
G

I

I

F

G

L

P

G

G

G

A

A

F

F

I

E

E

D

E

T

T

T

T

L

E

E

Q

D

F

F

F

E

D

R

R

T

M

M

V

A

S

V

V

N

N

V

A

R

K

A

A

V

P

F

F

V

F

A

I

S

I

Q

Q

A

Q

A

A

V

L

R

S

H

R

M

L

G

R

D

D

G

N

G

S

R

R

I

I

V

I

S

N

I
|
I

G

S

S
|
S

C

A

L

-

A

A

D

T

R

R

V

I

P

S

S

L

A

P

G

D

M
x
F

T

I

L

A

Y
|
Y

S

S

M

M

S

T

K
|
K

S

G

A

A

L

I

S

N

A

T

F

M

T

T

R

F

G

T

L

L

A

A

R

K

D

Q

L

L

G

G

P

A

R

R

G

G

I

I

T

T

V

V

N

N

V

A

V

I

Q

L

P
|
P

G
|
G

S

F

T

V

D

K

T

T

D

D

M
|
M

N
|
N

P

A

-

E

-

L

-

L

A

S

D

D

G

P

A

M

H

M

A

K

E

Q

E

Y

Q

A

R

T

G

T

R

I

M

S

A

A

I

F

K

N

R

R

Y

L

G

G

D

E

A

V

S

E

N

D

I

I

A

A

G

D

M

T

V

A

A

A

W

F

L

L

A

A

S

S

E

P

E

D

G

S

R

R

F

W

A

V

N

T

G

G

A

Q

A

L

F

I

T

D

I

V

D

S

G

G

G

G

A

S

active site: G18 (= G17), S148 (= S141), F158 (≠ M152), Y161 (= Y155), K165 (= K159)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G14 (= G13), S16 (= S15), R17 (= R16), G18 (= G17), I19 (= I18), H37 (≠ T36), Y38 (= Y37), G39 (≠ V38), L66 (≠ A65), E67 (≠ A66), N98 (= N91), G100 (= G93), I146 (= I139), S148 (= S141), Y161 (= Y155), K165 (= K159), P191 (= P185), G192 (= G186), M198 (= M192), N199 (= N193)

7nm8AAA Antimycin pathway standalone ketoreductase, AntM (see paper)
43% identity, 97% coverage: 5:243/246 of query aligns to 5:247/251 of 7nm8AAA

query
sites
7nm8AAA

D

Q

G

G

K

R

V

T

A

A

L

L

V

V

T

T

G
|
G

G

G

S
|
S

R
|
R

G
|
G

I
|
I

G

G

A

R

A

A

I

I

V

S

R

R

R

R

L

L

A

A

R

A

D

E

G

G

A

A

T

L

V

V

A

A

F

V

T
x
H

Y
|
Y

V
x
G

S
x
H

S

D

P

H

D

A

K

A

A

A

Q

E

A

R

L

T

V

V

Q

K

E

E

I

I

E

E

A

T

A

D

G

G

G

G

K

R

A

A

R

F

A

P

Y

V

Q

H

A

A

D

E

-
x
L

-

G

-

V

A

E

A

G

D

D

T

A

A

A

A

T

L

L

Q

W

A

A

A

A

V

F

D

D

R

E

V

A

A

L

A

S

E

G

S

T

G

G

R

S

-

G

-

P

-

G

L

L

D

D

I

I

L

L

V

V

N

N

N
|
N

A

A

G
|
G

I

I

F

T

L

L

G

P

G

R

A

P

F

I

E

A

D

A

T

V

T

T

L

E

E

A

D

E

F

Y

E

D

R

R

T

V</