SitesBLAST

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)
44% identity, 99% coverage: 4:246/246 of query aligns to 3:236/244 of 5z2lK

query
sites
5z2lK

L

F

T

T

D

G

K

K

I

T

A

V

L

L

V

I

T

L

G
|
G

S
|
S

R
|
R

G
|
G

I
|
I

G

G

A

A

I

I

V

V

K

R

R

R

L

F

A

V

A

T

E

D

G

G

A

A

K

N

V

V

I

R

F

F

T

T

Y
|
Y

A
|
A

H
x
G

S
|
S

A

K

E

D

K

A

A

A

L

K

A

R

V

L

V

A

A

Q

E

E

V

T

E

-

A

-

G

G

G

A

V

T

A

A

V

V

A

F

L
x
T

K
x
D

A
x
S

S

A

S

D

T

R

I

-

A

-

G

-

E

-

V

-

T

-

G

D

A

A

V

V

A

I

K

D

T

V

I

V

A

R

D

K

F

S

G

G

R

A

I

L

D

D

V

I

L

L

V

V

N

V

N
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N

A
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A

G
|
G

I
|
I

Y

G

I

V

-

F

G

G

K

E

A

A

F

L

E

E

E

L

H

N

T

A

L

-

E

D

D

D

Y

I

N

D

E

R

I

L

M

F

A

K

V
x
I

N

N

V

I

Q

H

A

A

V

P

F

Y

V

H

A

A

A

S

L

V

A

E

A

A

V

A

K

R

A

Q

M

M

P

P

E

E

G

G

R

R

I

I

I

L

T

I

I
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I

G
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G

S
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S

N

V

M

N

G

G

D

D

N

R

A

M

V

P

G

V

P

A

E

G

T

M

T

A

L

A

Y
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Y

T

A

M

A

S

S

K
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K

S

S

A

A

L

L

Q

Q

G

G

F

M

T

A

R

R

G

G

L

L

A

A

R

R

D

D

L

F

G

G

A

P

R

R

K

G

I

I

T

T

V

I

N

N

L

V

V

V

Q

Q

P
|
P

G
|
G

P
|
P

I
|
I

N

D

T
|
T

D
|
D

M
x
A

N
|
N

P

P

A

A

D

N

A

G

P

P

L

M

A

R

D

D

F

M

L

L

R

H

T

S

R

L

M

M

A

A

L

I

P

K

D

R

Y

H

G

G

T

Q

V

P

E

E

D

E

I

V

A

A

S

G

F

M

V

V

S

A

F

W

I

L

A

A

S

G

E

P

E

E

A

A

R

S

Y

F

I

V

T

T

G

G

S

A

F

M

L

H

T

T

I

I

D

D

G

G

G

A

L

F

N

G

A

A

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G12 (= G13), G13 (= G14), S14 (= S15), R15 (= R16), G16 (= G17), I17 (= I18), Y36 (= Y37), A37 (= A38), G38 (≠ H39), S39 (= S40), T57 (≠ L61), D58 (≠ K62), S59 (≠ A63), N81 (= N91), A82 (= A92), G83 (= G93), I84 (= I94), I104 (≠ V114), I129 (= I139), G130 (= G140), S131 (= S141), Y145 (= Y155), K149 (= K159), P175 (= P185), G176 (= G186), P177 (= P187), I178 (= I188), T180 (= T190), D181 (= D191), A182 (≠ M192), N183 (= N193)

4fj1B Crystal structure of the ternary complex between a fungal 17beta- hydroxysteroid dehydrogenase (holo form) and genistein (see paper)
36% identity, 98% coverage: 3:243/246 of query aligns to 4:257/259 of 4fj1B

query
sites
4fj1B

K

R

L

L

T

D

D

G

K

K

I

V

A

A

L

L

V

V

T

T

G
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G

G

S

S

G

R
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R

G
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G

I
|
I

G

G

A

A

I

V

V

A

K

V

R

H

L

L

A

G

A

R

E

L

G

G

A

A

K

K

V

V

I

V

F

V

T

N

Y
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Y

A
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A

H
x
N

S
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S

A

T

E

K

K

D

A

A

L

E

A

K

V

V

A

S

E

E

V

I

E

K

A

A

A

L

G

G

G

S

V

D

A

A

V

I

A

A

L

I

K

K

A
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A

S
x
D

S
x
I

T

R

I

Q

A

V

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P

E

E

V

I

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V

G

K

A

L

V

F

A

D

K

Q

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A

I

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A

A

D

H

F

F

G

G

R

H

I

L

D

D

V

I

L

A

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V

N

S

N
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N

A
x
S

G
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G

I

V

Y

V

I

S

G

F

K

G

A

H

F

L

E

K

E

D

H

V

T

T

L

E

E

E

D

E

Y

F

N

D

E

R

I

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M

F

A

S

V
x
L

N

N

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T

Q

R

A

G

V

Q

F

F

V

F

A

V

A

A

L

R

A

E

A

A

V

Y

K

R

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H

M

L

P

T

E

E

G

G

R

R

I

I

I

V

T

L

I
x
T

G
x
S

S
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S

N
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N

M

T

G

S

D

K

N

D

A
x
F

V

S

G

V

P

P

E

K

T
x
H

T

S

L

L

Y
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Y

T

S

M

G

S

S

K
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K

S

G

A

A

L

V

Q

D

G

S

F

F

T

V

R

R

G

I

L

F

A

S

R

K

D

D

L

C

G

G

A

D

R

K

K

K

I

I

T

T

V

V

N

N

L

A

V

V

Q

A

P
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P

G
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G

P
x
G

I
x
T

N

V

T
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T

D
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D

M
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M

N
x
F

-

H

-

E

-
x
V

-
x
S

-

H

-
x
Y

-
x
I

P

P

A

N

D

G

A

T

P

S

L

Y

A

T

D

A

F

E

L

Q

R

R

T

Q

R

Q

M
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M

A
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A

-

A

-

H

-

A

-

S

-

P

L

L

P

H

D

R

Y

N

G

G

T

W

V

P

E

Q

D

D

I

V

A

A

S

N

F

V

V

V

S

G

F

F

I

L

A

V

S

S

E

K

E

E

A

G

R

E

Y

W

I

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N

G

G

S

K

F

V

L

L

T

T

I

L

D

D

G

G

active site: G18 (= G17), S142 (= S141), N143 (= N142), H153 (≠ T152), Y156 (= Y155), K160 (= K159), Y201 (vs. gap)
binding genistein: F148 (≠ A147), G188 (≠ P187), M193 (= M192), F194 (≠ N193), V197 (vs. gap), 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), Y38 (= Y37), A39 (= A38), N40 (≠ H39), S41 (= S40), A64 (= A63), D65 (≠ S64), I66 (≠ S65), N92 (= N91), S93 (≠ A92), G94 (= G93), L115 (≠ V114), T140 (≠ I139), S141 (≠ G140), S142 (= S141), Y156 (= Y155), K160 (= K159), P186 (= P185), G187 (= G186), G188 (≠ P187), T189 (≠ I188), T191 (= T190), D192 (= D191), M193 (= M192)

4fj2B Crystal structure of the ternary complex between a fungal 17beta- hydroxysteroid dehydrogenase (holo form) and biochanin a (see paper)
36% identity, 98% coverage: 3:243/246 of query aligns to 5:258/260 of 4fj2B

query
sites
4fj2B

K

R

L

L

T

D

D

G

K

K

I

V

A

A

L

L

V

V

T

T

G
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G

G

S

S

G

R
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R

G
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G

I
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I

G

G

A

A

I

V

V

A

K

V

R

H

L

L

A

G

A

R

E

L

G

G

A

A

K

K

V

V

I

V

F

V

T

N

Y
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Y

A
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A

H
x
N

S
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S

A

T

E

K

K

D

A

A

L

E

A

K

V

V

A

S

E

E

V

I

E

K

A

A

A

L

G

G

G

S

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D

A

A

V

I

A

A

L

I

K

K

A
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A

S
x
D

S
x
I

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x
R

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Q

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G

P

E

E

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K

A

L

V

F

A

D

K

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A

I

V

A

A

D

H

F

F

G

G

R

H

I

L

D

D

V

I

L

A

V

V

N

S

N
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N

A
x
S

G
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G

I

V

Y

V

I

S

G

F

K

G

A

H

F

L

E

K

E

D

H

V

T

T

L

E

E

E

D

E

Y

F

N

D

E

R

I

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M

F

A

S

V
x
L

N

N

V

T

Q

R

A

G

V

Q

F

F

V

F

A

V

A

A

L

R

A

E

A

A

V

Y

K

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H

M

L

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T

E

E

G

G

R

R

I

I

I

V

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L

I
x
T

G
x
S

S
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S

N
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N

M

T

G

S

D

K

N

D

A

F

V

S

G

V

P

P

E

K

T
x
H

T

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L

Y
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Y

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M

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S

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K
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K

S

G

A

A

L

V

Q

D

G

S

F

F

T

V

R

R

G

I

L

F

A

S

R

K

D

D

L

C

G

G

A

D

R

K

K

K

I

I

T

T

V

V

N

N

L

A

V

V

Q

A

P
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P

G
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G

P
x
G

I
x
T

N

V

T
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T

D
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D

M
|
M

N
x
F

-

H

-

E

-
x
V

-
x
S

-

H

-
x
Y

-
x
I

P

P

A

N

D

G

A

T

P

S

L

Y

A

T

D

A

F

E

L

Q

R

R

T

Q

R

Q

M
|
M

A
|
A

-

A

-

H

-

A

-

S

-

P

L

L

P

H

D

R

Y

N

G

G

T

W

V

P

E

Q

D

D

I

V

A

A

S

N

F

V

V

V

S

G

F

F

I

L

A

V

S

S

E

K

E

E

A

G

R

E

Y

W

I

V

T

N

G

G

S

K

F

V

L

L

T

T

I

L

D

D

G

G

active site: G19 (= G17), S143 (= S141), N144 (= N142), H154 (≠ T152), Y157 (= Y155), K161 (= K159), Y202 (vs. gap)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G13), R18 (= R16), G19 (= G17), I20 (= I18), Y39 (= Y37), A40 (= A38), N41 (≠ H39), S42 (= S40), A65 (= A63), D66 (≠ S64), I67 (≠ S65), R68 (≠ T66), N93 (= N91), S94 (≠ A92), G95 (= G93), L116 (≠ V114), T141 (≠ I139), S142 (≠ G140), S143 (= S141), Y157 (= Y155), K161 (= K159), P187 (= P185), G188 (= G186), G189 (≠ P187), T190 (≠ I188), T192 (= T190), D193 (= D191), M194 (= M192)
binding 5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one: N144 (= N142), G188 (= G186), G189 (≠ P187), M194 (= M192), 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)
36% identity, 98% coverage: 3:243/246 of query aligns to 5:258/260 of 3qwiA

query
sites
3qwiA

K

R

L

L

T

D

D

G

K

K

I

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

I

V

V

A

K

V

R

H

L

L

A

G

A

R

E

L

G

G

A

A

K

K

V

V

I

V

F

V

T

N

Y
|
Y

A
|
A

H
x
N

S
|
S

A

T

E

K

K

D

A

A

L

E

A

K

V

V

A

S

E

E

V

I

E

K

A

A

A

L

G

G

G

S

V

D

A

A

V

I

A

A

L

I

K

K

A
|
A

S
x
D

S
x
I

T

R

I

Q

A

V

G

P

E

E

V

I

T

V

G

K

A

L

V

F

A

D

K

Q

T

A

I

V

A

A

D

H

F

F

G

G

R

H

I

L

D

D

V

I

L

A

V

V

N

S

N
|
N

A
x
S

G
|
G

I

V

Y

V

I

S

G

F

K

G

A

H

F

L

E

K

E

D

H

V

T

T

L

E

E

E

D

E

Y

F

N

D

E

R

I

V

M

F

A

S

V
x
L

N

N

V

T

Q

R

A

G

V

Q

F

F

V

F

A

V

A

A

L

R

A

E

A

A

V

Y

K

R

A

H

M

L

P

T

E

E

G

G

R

R

I

I

I

V

T

L

I
x
T

G
x
S

S
|
S

N
|
N

M

T

G

S

D

K

N

D

A
x
F

V

S

G

V

P

P

E

K

T
x
H

T

S

L

L

Y
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Y

T

S

M

G

S

S

K
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K

S

G

A

A

L

V

Q

D

G

S

F

F

T

V

R

R

G

I

L

F

A

S

R

K

D

D

L

C

G

G

A

D

R

K

K

K

I

I

T

T

V

V

N

N

L

A

V

V

Q

A

P
|
P

G
|
G

P
x
G

I
x
T

N

V

T
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T

D
|
D

M
|
M

N
x
F

-

H

-

E

-

V

-

S

-

H

-
x
Y

-
x
I

P

P

A

N

D

G

A

T

P

S

L

Y

A

T

D

A

F

E

L

Q

R

R

T

Q

R

Q

M
|
M

A
|
A

-

A

-

H

-

A

-

S

-

P

L

L

P

H

D

R

Y

N

G

G

T

W

V

P

E

Q

D

D

I

V

A

A

S

N

F

V

V

V

S

G

F

F

I

L

A

V

S

S

E

K

E

E

A

G

R

E

Y

W

I

V

T

N

G

G

S

K

F

V

L

L

T

T

I

L

D

D

G

G

active site: G19 (= G17), S143 (= S141), N144 (= N142), H154 (≠ T152), Y157 (= Y155), K161 (= K159), Y202 (vs. gap)
binding Coumestrol: N144 (= N142), F149 (≠ A147), G189 (≠ P187), M194 (= M192), F195 (≠ N193), Y202 (vs. gap), I203 (vs. gap), M217 (= M207), A218 (= A208)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G13), R18 (= R16), G19 (= G17), I20 (= I18), Y39 (= Y37), A40 (= A38), N41 (≠ H39), S42 (= S40), A65 (= A63), D66 (≠ S64), I67 (≠ S65), N93 (= N91), S94 (≠ A92), G95 (= G93), L116 (≠ V114), T141 (≠ I139), S142 (≠ G140), S143 (= S141), Y157 (= Y155), K161 (= K159), P187 (= P185), G188 (= G186), G189 (≠ P187), T190 (≠ I188), T192 (= T190), D193 (= D191), M194 (= M192)

3qwhA Crystal structure of the 17beta-hydroxysteroid dehydrogenase from cochliobolus lunatus in complex with NADPH and kaempferol (see paper)
36% identity, 98% coverage: 3:243/246 of query aligns to 5:258/260 of 3qwhA

query
sites
3qwhA

K

R

L

L

T

D

D

G

K

K

I

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

I

V

V

A

K

V

R

H

L

L

A

G

A

R

E

L

G

G

A

A

K

K

V

V

I

V

F

V

T

N

Y
|
Y

A
|
A

H
x
N

S
|
S

A

T

E

K

K

D

A

A

L

E

A

K

V

V

A

S

E

E

V

I

E

K

A

A

A

L

G

G

G

S

V

D

A

A

V

I

A

A

L

I

K

K

A
|
A

S
x
D

S
x
I

T

R

I

Q

A

V

G

P

E

E

V

I

T

V

G

K

A

L

V

F

A

D

K

Q

T

A

I

V

A

A

D

H

F

F

G

G

R

H

I

L

D

D

V

I

L

A

V

V

N

S

N
|
N

A
x
S

G
|
G

I

V

Y

V

I

S

G

F

K

G

A

H

F

L

E

K

E

D

H

V

T

T

L

E

E

E

D

E

Y

F

N

D

E

R

I

V

M

F

A

S

V
x
L

N

N

V

T

Q

R

A

G

V

Q

F

F

V

F

A

V

A

A

L

R

A

E

A

A

V

Y

K

R

A

H

M

L

P

T

E

E

G

G

R

R

I

I

I

V

T

L

I
x
T

G
x
S

S
|
S

N
|
N

M

T

G

S

D

K

N

D

A
x
F

V

S

G

V

P

P

E

K

T
x
H

T

S

L

L

Y
|
Y

T

S

M

G

S

S

K
|
K

S

G

A

A

L

V

Q

D

G

S

F

F

T

V

R

R

G

I

L

F

A

S

R

K

D

D

L

C

G

G

A

D

R

K

K

K

I

I

T

T

V

V

N

N

L

A

V

V

Q

A

P
|
P

G
|
G

P
x
G

I
x
T

N

V

T
|
T

D
|
D

M
|
M

N
x
F

-

H

-

E

-

V

-
x
S

-

H

-
x
Y

-
x
I

P

P

A

N

D

G

A

T

P

S

L

Y

A

T

D

A

F

E

L

Q

R

R

T

Q

R

Q

M
|
M

A
|
A

-

A

-

H

-
x
A

-

S

-

P

L

L

P

H

D

R

Y

N

G

G

T

W

V

P

E

Q

D

D

I

V

A

A

S

N

F

V

V

V

S

G

F

F

I

L

A

V

S

S

E

K

E

E

A

G

R

E

Y

W

I

V

T

N

G

G

S

K

F

V

L

L

T

T

I

L

D

D

G

G

active site: G19 (= G17), S143 (= S141), N144 (= N142), H154 (≠ T152), Y157 (= Y155), K161 (= K159), Y202 (vs. gap)
binding 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4h-chromen-4-one: N144 (= N142), F149 (≠ A147), G188 (= G186), G189 (≠ P187), F195 (≠ N193), S199 (vs. gap), Y202 (vs. gap), I203 (vs. gap), M217 (= M207), A218 (= A208), A221 (vs. gap)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G13), R18 (= R16), G19 (= G17), I20 (= I18), Y39 (= Y37), A40 (= A38), N41 (≠ H39), S42 (= S40), A65 (= A63), D66 (≠ S64), I67 (≠ S65), N93 (= N91), S94 (≠ A92), G95 (= G93), L116 (≠ V114), T141 (≠ I139), S142 (≠ G140), S143 (= S141), Y157 (= Y155), K161 (= K159), P187 (= P185), G188 (= G186), G189 (≠ P187), T190 (≠ I188), T192 (= T190), D193 (= D191), M194 (= M192)

4fj0D Crystal structure of the ternary complex between a fungal 17beta- hydroxysteroid dehydrogenase (holo form) and 3,7-dihydroxy flavone (see paper)
36% identity, 98% coverage: 3:243/246 of query aligns to 6:259/261 of 4fj0D

query
sites
4fj0D

K

R

L

L

T

D

D

G

K

K

I

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

I

V

V

A

K

V

R

H

L

L

A

G

A

R

E

L

G

G

A

A

K

K

V

V

I

V

F

V

T

N

Y
|
Y

A
|
A

H
x
N

S
|
S

A

T

E

K

K

D

A

A

L

E

A

K

V

V

A

S

E

E

V

I

E

K

A

A

A

L

G

G

G

S

V

D

A

A

V

I

A

A

L

I

K

K

A
|
A

S
x
D

S
x
I

T

R

I

Q

A

V

G

P

E

E

V

I

T

V

G

K

A

L

V

F

A

D

K

Q

T

A

I

V

A

A

D

H

F

F

G

G

R

H

I

L

D

D

V

I

L

A

V

V

N

S

N
|
N

A
x
S

G
|
G

I

V

Y

V

I

S

G

F

K

G

A

H

F

L

E

K

E

D

H

V

T

T

L

E

E

E

D

E

Y

F

N

D

E

R

I

V

M

F

A

S

V
x
L

N

N

V

T

Q

R

A

G

V

Q

F

F

V

F

A

V

A

A

L

R

A

E

A

A

V

Y

K

R

A

H

M

L

P

T

E

E

G

G

R

R

I

I

I

V

T

L

I
x
T

G
x
S

S
|
S

N
|
N

M
x
T

G

S

D

K

N

D

A

F

V

S

G

V

P

P

E

K

T
x
H

T

S

L

L

Y
|
Y

T

S

M

G

S

S

K
|
K

S

G

A

A

L

V

Q

D

G

S

F

F

T

V

R

R

G

I

L

F

A

S

R

K

D

D

L

C

G

G

A

D

R

K

K

K

I

I

T

T

V

V

N

N

L

A

V

V

Q

A

P
|
P

G
|
G

P
x
G

I
x
T

N

V

T
|
T

D
|
D

M
|
M

N
x
F

-

H

-

E

-
x
V

-
x
S

-

H

-
x
Y

-
x
I

P

P

A

N

D

G

A

T

P

S

L

Y

A

T

D

A

F

E

L

Q

R

R

T

Q

R

Q

M

M

A
|
A

-

A

-

H

-

A

-

S

-

P

L

L

P

H

D

R

Y

N

G

G

T

W

V

P

E

Q

D

D

I

V

A

A

S

N

F

V

V

V

S

G

F

F

I

L

A

V

S

S

E

K

E

E

A

G

R

E

Y

W

I

V

T

N

G

G

S

K

F

V

L

L

T

T

I

L

D

D

G

G

active site: G20 (= G17), S144 (= S141), N145 (= N142), H155 (≠ T152), Y158 (= Y155), K162 (= K159), Y203 (vs. gap)
binding 3,7-dihydroxy-2-phenyl-4H-chromen-4-one: S144 (= S141), N145 (= N142), T146 (≠ M143), Y158 (= Y155), G190 (≠ P187), M195 (= M192), F196 (≠ N193), V199 (vs. gap), S200 (vs. gap), Y203 (vs. gap), I204 (vs. gap), A219 (= A208)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G16 (= G13), R19 (= R16), G20 (= G17), I21 (= I18), Y40 (= Y37), A41 (= A38), N42 (≠ H39), S43 (= S40), A66 (= A63), D67 (≠ S64), I68 (≠ S65), N94 (= N91), S95 (≠ A92), G96 (= G93), L117 (≠ V114), T142 (≠ I139), S143 (≠ G140), S144 (= S141), Y158 (= Y155), K162 (= K159), P188 (= P185), G189 (= G186), G190 (≠ P187), T191 (≠ I188), T193 (= T190), D194 (= D191), M195 (= 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

K

S

K

K

L

L

T

A

D

G

K

K

I

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

I

I

V

A

K

K

R

A

L

L

A

A

A

D

E

E

G

G

A

A

K

A

V

V

I

V

F

V

T
x
N

Y
|
Y

A
|
A

H
x
S

S
|
S

A

K

E

A

K

G

A

A

L

D

A

A

V

V

A

S

E

A

V

I

E

T

A

E

A

A

G

G

V

R

A

A

V

V

A

A

L

V

K

G

A
x
G

S
x
D

S
x
V

T

S

I

K

A

A

G

A

E

D

V

A

T

Q

G

R

A

I

V

V

A

D

K

T

T

A

I

I

A

E

D

T

F

Y

G

G

R

R

I

L

D

D

V

V

L

L

V

V

N

N

N
|
N

A
x
S

G
|
G

I
x
V

Y
|
Y

I

E

G
x
F

K

A

A

P

F

I

E

E

E

A

H

I

T

T

L

E

E

E

D

H

Y

Y

N

R

E

R

I

Q

M

F

A

D

V
x
T

N

N

V

V

Q

F

A

G

V

V

F

L

V

L

A

T

L

Q

A

A

V

V

K

K

A

H

M

L

P

G

E

E

G

G

G

A

R

S

I

I

T

N

I
|
I

G

-

S
|
S

N
x
S

M
x
V

G
x
V

D

T

N

S

A

I

V

T

G

P

P

P

E

A

T

S

T

A

L

V

Y
|
Y

T

S

M

G

S

T

K
|
K

S

G

A

A

L

V

Q

D

G

A

F

I

T

T

R

G

G

V

L

L

A

A

R

L

D

E

L

L

G

G

A

P

R

R

K

K

I

I

T

R

V

V

N

N

L

A

V

I

Q

N

P
|
P

G
|
G

P
x
M

I
|
I

N

V

T
|
T

D
x
E

M
x
G

N
x
T

P

H

A

S

D

A

A

G

P
x
I

L

I

A

G

D

S

F

D

L

L

R

E

T

A

R

Q

M
x
V

-

L

-

G

-

Q

-

T

A

P

L

L

P

G

D

R

Y

L

G

G

T

E

V

P

E

N

D

D

I

I

A

A

S

S

F

V

V

A

S

V

F

F

I

L

A

A

S

S

E

D

A

A

R

R

Y

W

I

M

T

T

G

G

S

E

F

H

L

L

T

V

I

V

D

S

G

G

L

L

N

N

binding nadp nicotinamide-adenine-dinucleotide phosphate: G18 (= G13), S20 (= S15), K21 (≠ R16), G22 (= G17), I23 (= I18), N41 (≠ T36), Y42 (= Y37), A43 (= A38), S44 (≠ H39), S45 (= S40), G68 (≠ A63), D69 (≠ S64), V70 (≠ S65), N96 (= N91), S97 (≠ A92), G98 (= G93), V99 (≠ I94), Y100 (= Y95), T119 (≠ V114), I144 (= I139), S145 (= S141), S146 (≠ N142), Y159 (= Y155), K163 (= K159), P189 (= P185), G190 (= G186), M191 (≠ P187), I192 (= I188), T194 (= T190), E195 (≠ D191), G196 (≠ M192), T197 (≠ N193)
binding (2R)-2-(hydroxymethyl)pentanedioic acid: Y100 (= Y95), F102 (≠ G97), S146 (≠ N142), V147 (≠ M143), V148 (≠ G144), Y159 (= Y155), G190 (= G186), M191 (≠ P187), I202 (≠ P198), V211 (≠ M207)

P73574 3-oxoacyl-[acyl-carrier-protein] reductase; 3-ketoacyl-acyl carrier protein reductase; EC 1.1.1.100 from Synechocystis sp. (strain PCC 6803 / Kazusa) (see paper)
42% identity, 99% coverage: 1:244/246 of query aligns to 1:244/247 of P73574

query
sites
P73574

M

M

K

T

K

A

L

L

T

T

D

A

K

Q

I

V

A

A

L

L

V

V

T

T

G

G

G
x
A

S

S

R

R

G

G

I

I

G

G

A

K

A

A

I

T

V

A

K

L

R

A

L

L

A

A

E

T

G

G

A

M

K

K

V

V

I

V

F

V

T

N

Y

Y

A

A

H

Q

S

S

A

S

E

T

K

A

A

A

L

D

A

A

V

V

A

A

E

E

V

I

E

I

A

A

A

N

G

G

V

E

A

A

V

I

A

A

L

V

K

Q

A

A

S

N

S

V

T

A

I

N

A

A

G

D

E

E

V

V

T

D

G

Q

A

L

V

I

A

K

K

T

T

T

I

L

A

D

D

K

F

F

G

S

R

R

I

I

D

D

V

V

L

L

V

V

N

N

A

A

G

G

I

I

Y

T

I

R

G

D

K

T

A

L

F

L

E

L

E

R

H

M

T

K

L

L

E

E

D

D

Y

W

N

Q

E

A

I

V

M

I

A

D

V

L

N

N

V

L

Q

T

A

G

V

V

F

F

V

L

A

C

A

T

L

K

A

A

A

V

V

S

K

K

A

L

M

M

-

L

-

K

P

Q

E

K

G

S

G

G

R

R

I

I

T

N

I

I

G

T

S

S

-

V

-

A

-

G

N

M

M

M

G

G

D

N

N

-

A

-

V

-

G

-

P
|
P

E

G

T

Q

T

A

L

N

Y

Y

T

S

M

A

S

A

K
|
K

S

A

A

G

L

V

Q

I

G

G

F

F

T

T

R

K

G

T

L

V

A

A

R

K

D

E

L

L

G

A

A

S

R

R

K

G

I

V

T

T

V

V

N

N

L

A

V

V

Q

A

P

P

G

G

P
x
F

I

I

N

A

T

T

D

D

M

M

-

T

-

E

N

N

P

L

A
x
N

D

A

A

E

P

P

L

I

A

L

D

Q

F

F

L

I

R

-

T

-

R

-

M

-

A

P

L

L

P

A

D

R

Y

Y

G

G

T

Q

V

P

E

E

D

E

I

V

A

A

S

G

F

T

V

I

S

R

F

F

I

L

A

A

S

T

E

D

E

P

-

A

A

A

R

A

Y

Y

I

I

T

T

G

G

S

Q

F

T

L

F

T

N

I

V

D

D

G

G

L

M

A14 (≠ G14) mutation to G: 4.2-fold increase in activity on acetoacetyl-CoA.
P151 (= P150) mutation to F: 2.7-fold increase in activity on acetoacetyl-CoA.; mutation to V: 5.7-fold increase in activity on acetoacetyl-CoA.
K160 (= K159) mutation to A: Almost no activity on acetoacetyl-CoA.
F188 (≠ P187) mutation to Y: 3.3-fold increase in activity on acetoacetyl-CoA.
N198 (≠ A195) mutation to R: 3.5-fold increase in activity on acetoacetyl-CoA.

3osuA Crystal structure of the 3-oxoacyl-acyl carrier protein reductase, fabg, from staphylococcus aureus
40% identity, 98% coverage: 3:244/246 of query aligns to 2:244/246 of 3osuA

query
sites
3osuA

K

K

L

M

T

T

D

-

K

K

I

S

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

S

I

I

V

A

K

L

R

Q

L

L

A

A

A

E

E

E

G

G

A

Y

K

N

V

V

I

A

F

V

T

N

Y

Y

A

A

H

G

S

S

A

K

E

E

K

K

A

A

L

E

A

A

V

V

A

E

E

E

V

I

E

K

A

A

A

K

G

G

G

V

V

D

A

S

V

F

A

A

L

I

K

Q

A

A

S

N

S

V

T

A

I

D

A

A

G

D

E

E

V

V

T

K

G

A

A

M

V

I

A

K

K

E

T

V

I

V

A

S

D

Q

F

F

G

G

R

S

I

L

D

D

V

V

L

L

V

V

N

N

N
|
N

A

A

G

G

I

I

Y

T

I

R

G

D

K

N

A

L

F

L

E

M

E

R

H

M

T

K

L

E

E

Q

D

E

Y

W

N

D

E

D

I

V

M

I

A

D

V

T

N

N

V

L

Q

K

A

G

V

V

F

F

V

N

A

C

A

I

L

Q

A

K

A

A

V

T

K

P

A

Q

M

M

-

L

-

R

P

Q

E

R

G

S

G

G

R

A

I

I

T

N

I

L

G

S

S
|
S

N

V

M

V

G

G

D

-

N

-

A

A

V

V

G

G

-

N

P

P

E

G

T
x
Q

T

A

L

N

Y
|
Y

T

V

M

A

S

T

K
|
K

S

A

A

G

L

V

Q

I

G

G

F

L

T

T

R

K

G

S

L

A

A

A

R

R

D

E

L

L

G

A

A

S

R

R

K

G

I

I

T

T

V

V

N

N

L

A

V

V

Q

A

P

P

G

G

P

F

I

I

N

V

T

S

D

D

M

M

N

T

P

D

A

A

-

L

D

S

A

D

P

E

L

L

A

K

D

E

F

Q

L

M

R

L

T

T

R

Q

M

I

A

P

L

L

P

A

D

R

Y

F

G

G

T

Q

V

D

E

T

D

D

I

I

A

A

S

N

F

T

V

V

S

A

F

F

I

L

A

A

S

S

E

D

E

K

A

A

R

K

Y

Y

I

I

T

T

G

G

S

Q

F

T

L

I

T

H

I

V

D

N

G

G

L

M

active site: G15 (= G17), S141 (= S141), Q151 (≠ T152), Y154 (= Y155), K158 (= K159)
binding magnesium ion: N89 (= N91), K158 (= K159)

3sj7A Structure of beta-ketoacetyl-coa reductase (fabg) from staphylococcus aureus complex with NADPH (see paper)
39% identity, 97% coverage: 7:244/246 of query aligns to 2:237/239 of 3sj7A

query
sites
3sj7A

K

K

I

S

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

S

I

I

V

A

K

L

R

Q

L

L

A

A

A

E

E

E

G

G

A

Y

K

N

V

V

I

A

F

V

T
x
N

Y
|
Y

A
|
A

H
x
G

S
|
S

A

K

E

E

K

K

A

A

L

E

A

A

V

V

A

E

E

E

V

I

E

K

A

A

A

K

G

G

G

V

V

D

A

S

V

F

A

A

L

I

K

Q

A
|
A

S
x
N

S
x
V

T

A

I

D

A

A

G

D

E

E

V

V

T

K

G

A

A

M

V

I

A

K

K

E

T

V

I

V

A

S

D

Q

F

F

G

G

R

S

I

L

D

D

V

V

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

I
|
I

Y

T

I

R

G

D

K

N

A

L

F

L

E

M

E

R

H

M

T

K

L

E

E

Q

D

E

Y

W

N

D

E

D

I

V

M

I

A

D

V
x
T

N

N

V

L

Q

K

A

G

V

V

F

F

V

N

A

C

A

I

L

Q

A

K

A

A

V

T

K

P

A

Q

M

M

-

L

-

R

P

Q

E

R

G

S

G

G

R

A

I

I

T

N

I
x
L

G
x
S

S
|
S

N

V

M

V

G

G

D

-

N

-

A

A

V

V

G

G

-

N

P

P

E

G

T
x
Q

T

A

L

N

Y
|
Y

T

V

M

A

S

T

K
|
K

S

A

A

G

L

V

Q

I

G

G

F

L

T

T

R

K

G

S

L

A

A

A

R

R

D

E

L

L

G

A

A

S

R

R

K

G

I

I

T

T

V

V

N

N

L

A

V

V

Q

A

P
|
P

G
|
G

P
x
F

I
|
I

N

V

T

S

D

D

M

M

N

T

P

D

A

-

D

-

A

-

P

E

L

L

A

K

D

E

F

Q

L

M

R

L

T

T

R

Q

M

I

A

P

L

L

P

A

D

R

Y

F

G

G

T

Q

V

D

E

T

D

D

I

I

A

A

S

N

F

T

V

V

S

A

F

F

I

L

A

A

S

S

E

D

E

K

A

A

R

K

Y

Y

I

I

T

T

G

G

S

Q

F

T

L

I

T

H

I

V

D

N

G

G

L

M

active site: G12 (= G17), S138 (= S141), Q148 (≠ T152), Y151 (= Y155), K155 (= K159)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G8 (= G13), S10 (= S15), R11 (= R16), G12 (= G17), I13 (= I18), N31 (≠ T36), Y32 (= Y37), A33 (= A38), G34 (≠ H39), S35 (= S40), A58 (= A63), N59 (≠ S64), V60 (≠ S65), N86 (= N91), A87 (= A92), G88 (= G93), I89 (= I94), T109 (≠ V114), L136 (≠ I139), S137 (≠ G140), S138 (= S141), Y151 (= Y155), K155 (= K159), P181 (= P185), G182 (= G186), F183 (≠ P187), I184 (= I188)

4kwhB The crystal structure of angucyclinE C-6 ketoreductase lanv with bound NADP (see paper)
40% identity, 98% coverage: 3:243/246 of query aligns to 7:253/257 of 4kwhB

query
sites
4kwhB

K

N

L

L

T

T

D

G

K

K

I

T

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

K

E

R

K

L

L

A

G

A

Y

E

A

G

G

A

A

K

L

V

V

I

A

F

V

T
x
H

Y
|
Y

A
|
A

H
x
T

S
x
G

A

A

E

D

K

A

A

A

L

A

A

E

V

V

V

A

A

E

E

S

V

I

E

E

A

K

A

D

G

G

V

R

A

A

V

F

A

T

L

V

K

K

A
|
A

S
x
E

S
x
L

T

G

I

V

A

P

G

G

E

D

V

V

-

D

-

V

-

L

-

F

-

E

-

G

-

L

-

E

T

R

G

G

A

L

V

K

A

E

K

R

T

T

I

G

A

A

D

T

F

-

G

-

R

D

I

L

D

D

V

I

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

I

V

Y
x
M

I

A

G

M

K

G

A

A

F

P

E

E

H

V

T

T

L

P

E

E

D

M

Y

F

N

D

E
x
R

I

M

M

M

A

A

V
|
V

N

N

V

A

Q

K

A

A

V

P

F

F

V

F

A

I

A

V

L

Q

A

R

A

A

V

L

K

S

A

V

M

M

P

P

E

D

G

G

R

R

I

I

T

N

I
x
V

G
x
S

S
|
S

N

G

M

L

G

-

D

T

N

R

A

V

V

A

G

S

P

P

E

D

T

Q

T

V

L

T

Y
|
Y

T

G

M

M

S

S

K
|
K

S

G

A

A

L

L

Q

E

G

Q

F

I

T

A

R

L

G

H

L

F

A

S

R

R

D

H

L

L

G

G

A

S

R

R

K

R

I

I

T

T

V

V

N

N

L

S

V

V

Q

A

P
|
P

G
|
G

P

-

I

-

N
x
S

T
|
T

D

D

M
x
N

N

G

P

S

A

A

D

L

A

F

P

Q

L

I

A

P

D

E

F

V

L

R

R

E

T

T

R

L

M

S

A

Q

L

L

P

S

D

T

Y

F

G

G

T

E

V

V

E

A

D

E

-

P

-

A

I

I

A

A

S

D

F

V

V

V

S

A

F

F

I

L

A

A

S

S

E

E

E

D

A

A

R

R

Y

W

I

I

T

T

G

G

S

A

F

F

L

I

T

D

I

A

D

S

G

G

active site: G21 (= G17), S151 (= S141), Y164 (= Y155), K168 (= K159)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G17 (= G13), S19 (= S15), R20 (= R16), G21 (= G17), I22 (= I18), H40 (≠ T36), Y41 (= Y37), A42 (= A38), T43 (≠ H39), G44 (≠ S40), A67 (= A63), E68 (≠ S64), L69 (≠ S65), N101 (= N91), A102 (= A92), G103 (= G93), M105 (≠ Y95), R120 (≠ E110), V124 (= V114), V149 (≠ I139), S150 (≠ G140), S151 (=