SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing 16789 FitnessBrowser__Keio:16789 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)

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)
35% identity, 99% coverage: 3:259/259 of query aligns to 7:247/247 of P73574

query
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P73574

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A14 (≠ G10) mutation to G: 4.2-fold increase in activity on acetoacetyl-CoA.
P151 (≠ K149) 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 (= K158) mutation to A: Almost no activity on acetoacetyl-CoA.
F188 (≠ L187) mutation to Y: 3.3-fold increase in activity on acetoacetyl-CoA.
N198 (≠ K207) mutation to R: 3.5-fold increase in activity on acetoacetyl-CoA.

7pcsB Structure of the heterotetrameric sdr family member bbscd (see paper)
30% identity, 100% coverage: 2:259/259 of query aligns to 4:245/247 of 7pcsB

query
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7pcsB

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binding nicotinamide-adenine-dinucleotide: G11 (= G9), M16 (≠ L14), D35 (= D33), I36 (= I34), I62 (≠ A62), N88 (≠ S88), G90 (= G90), I138 (= I139), S140 (= S141), Y152 (= Y154), K156 (= K158), I185 (≠ L188)

Q9KJF1 (2S)-[(R)-hydroxy(phenyl)methyl]succinyl-CoA dehydrogenase subunit BbsD; (S,R)-2-(alpha-hydroxybenzyl)succinyl-CoA dehydrogenase subunit BbsD; EC 1.1.1.429 from Thauera aromatica (see 2 papers)
30% identity, 100% coverage: 2:259/259 of query aligns to 5:246/248 of Q9KJF1

query
sites
Q9KJF1

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S15 (≠ Q12) binding
D36 (= D33) binding
D62 (= D61) binding
I63 (≠ A62) binding
N89 (≠ S88) binding
Y153 (= Y154) binding
K157 (= K158) binding

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

3osuA Crystal structure of the 3-oxoacyl-acyl carrier protein reductase, fabg, from staphylococcus aureus
34% identity, 100% coverage: 1:258/259 of query aligns to 3:246/246 of 3osuA

query
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3osuA

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active site: G15 (≠ T13), S141 (= S141), Q151 (≠ N151), Y154 (= Y154), K158 (= K158)
binding magnesium ion: N89 (≠ S88), K158 (= K158)

4cqlI Crystal structure of heterotetrameric human ketoacyl reductase complexed with NAD (see paper)
33% identity, 98% coverage: 4:258/259 of query aligns to 10:251/251 of 4cqlI

query
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4cqlI

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S

T

L

A

A

A

L

R

D

E

L

L

A

G

E

R

Y

H

G

G

I

I

T

R

V

C

H

N

S

S

L

V

M

L

L
x
P

G
|
G

N

-

L

F

L
x
I

K

A

S
x
T

P

P

M
|
M

F

T

Q

Q

S

K

L

V

L

-

P

-

Q

-

Y

-

A

-

T

-

K

-

L

-

G

-

I

-

K

-

P

P

D

Q

Q

K

V

V

E

V

Q

D

Y

K

Y

I

I

T

D

E

K

M

V

I

P

P

L

M

K

G

R

H

G

L

C

G

D

D

Y

P

Q

E

D

D

V

V

L

A

N

D

M

V

L

V

L

A

F

F

Y

L

A

A

S

S

P

E

K

D

A

S

S

G

Y

Y

C

I

T

T

G

G

Q

T

S

S

I

V

N

E

V

V

T

T

G

G

Q

L

V

F

M

M

active site: G19 (≠ T13), S146 (= S141), Y159 (= Y154), K163 (= K158)
binding nicotinamide-adenine-dinucleotide: S18 (≠ Q12), G19 (≠ T13), I20 (≠ L14), D39 (= D33), L40 (≠ I34), A64 (= A60), D65 (= D61), V66 (≠ A62), C93 (vs. gap), A94 (= A89), G95 (= G90), I96 (= I91), V116 (= V111), I144 (= I139), S146 (= S141), Y159 (= Y154), K163 (= K158), P189 (≠ L184), G190 (= G185), I192 (≠ L188), T194 (≠ S190), M196 (= M192)

4cqmA Crystal structure of heterotetrameric human ketoacyl reductase complexed with NAD and NADP (see paper)
33% identity, 98% coverage: 4:258/259 of query aligns to 8:248/248 of 4cqmA

query
sites
4cqmA

V

L

A

A

V

L

V

V

I

T

G
|
G

G

A

G

G

Q
x
S

T
x
G

L
x
I

G

G

A

R

F

A

L

V

C

S

H

V

G

R

L

L

A

A

A

G

E

E

G

G

Y

A

R

T

V

V

A

A

V

A

V

C

D
|
D

I
x
L

Q

-

S

-

D

D

K

R

A

A

N

-

V

-

A

A

Q

Q

E

E

-

T

-

V

-

R

I

L

N

L

A

P

E

P

Y

R

G

G

E

N

S

H

M

A

A

A

Y

-

G

-

F

F

G

Q

A
|
A

D

D

A
x
V

T

S

S

E

E

A

Q

R

S

A

V

A

L

R

A

C

L

L

S

L

R

E

G

Q

V

V

D

Q

E

A

I

C

F

F

G

S

R

R

V

P

D

P

L

S

L

V

V

V

Y

V

S

S

-
x
C

A
|
A

G
|
G

I
|
I

A

T

K

Q

A

D

A

E

F

F

I

L

S

L

D

H

F

M

Q

S

L

E

G

D

D

D

F

W

D

D

R

K

S

V

L

I

Q

A

V
|
V

N

N

L

L

V

K

G

G

Y

T

F

F

L

L

C

V

A

T

R

Q

E

A

F

A

S

A

R

Q

L

A

M

L

I

V

R

S

D

N

G

G

I

C

Q

R

G

G

R

S

I

I

Q

N

I
|
I

N

S

S
|
S

K

I

S

V

G

G

K

K

V

V

G

G

S

N

K

V

H

G

N

Q

S

T

G

N

Y
|
Y

S

A

A

A

A

S

K
|
K

F

A

G

G

G

V

V

I

G

G

L

L

T

T

Q

Q

S

T

L

A

A

A

L

R

D

E

L

L

A

G

E

R

Y

H

G

G

I

I

T

R

V

C

H

N

S

S

L

V

M

L

L
x
P

G
|
G

N

-

L

F

L
x
I

K

A

S
x
T

P
|
P

M
|
M

F
x
T

Q

Q

S

K

L

V

L

-

P

-

Q

-

Y

-

A

-

T

-

K

-

L

-

G

-

I

-

K

-

P

P

D

Q

Q

K

V

V

E

V

Q

D

Y

K

Y

I

I

T

D

E

K

M

V

I

P

P

L

M

K

G

R

H

G

L

C

G

D

D

Y

P

Q

E

D

D

V

V

L

A

N

D

M

V

L

V

L

A

F

F

Y

L

A

A

S

S

P

E

K

D

A

S

S

G

Y

Y

C

I

T

T

G

G

Q

T

S

S

I

V

N

E

V

V

T

T

G

G

Q

L

V

F

M

M

active site: G17 (≠ T13), S143 (= S141), Y156 (= Y154), K160 (= K158)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G9), S16 (≠ Q12), G17 (≠ T13), I18 (≠ L14), D37 (= D33), L38 (≠ I34), A61 (= A60), V63 (≠ A62), C90 (vs. gap), A91 (= A89), G92 (= G90), I93 (= I91), V113 (= V111), I141 (= I139), S143 (= S141), Y156 (= Y154), K160 (= K158), P186 (≠ L184), G187 (= G185), I189 (≠ L188), T191 (≠ S190), P192 (= P191), M193 (= M192), T194 (≠ F193)

4jroC Crystal structure of 3-oxoacyl-[acyl-carrier protein]reductase (fabg) from listeria monocytogenes in complex with NADP+
31% identity, 99% coverage: 3:258/259 of query aligns to 6:247/247 of 4jroC

query
sites
4jroC

Q

K

V

V

A

A

V

V

I

T

G
|
G

G

G

G
x
S

Q
x
R

T
x
G

L
x
I

G

G

A

R

F

D

L

I

C

A

H

I

G

N

L

L

A

A

A

K

E

E

G

G

Y

A

R

N

V

I

A

F

V

F

V
x
N

D
x
Y

I
x
N

Q
x
G

S
|
S

D

P

K

E

A

A

N

E

V

E

A

T

Q

A

E

K

I

L

N

V

A

A

E

E

Y

H

G

G

E

V

S

E

M

V

A

-

Y

E

G

A

F

M

G

K

A

A

D
x
N

A
x
V

T

A

S

I

E

A

Q

E

S

D

V

V

L

D

A

A

L

F

S

F

R

K

G

Q

V

A

D

I

E

E

I

R

F

F

G

G

R

R

V

V

D

D

L

I

L

L

V

V

Y

N

S
x
N

A
|
A

G

G

I
|
I

A

T

K

R

A

D

A

N

F

L

I

L

S

M

D

R

F

M

Q

K

L

E

G

D

D

E

F

W

D

D

R

D

S

V

L

I

Q

N

V
x
I

N

N

L

L

V

K

G

G

Y

T

F

F

L

L

C

C

A

T

R

K

E

A

F

V

S

S

R

R

L

T

M

M

I

M

R

K

D

Q

G

R

I

-

Q

A

G

G

R

K

I

I

Q

N

I

M

N

A

S
|
S

K

V

S

V

G

G

K

L

V

I

G

G

S

N

K

A

H

G

N
x
Q

S

A

G

N

Y
|
Y

S

V

A

A

A

S

K
|
K

F

A

G

G

G

V

V

I

G

G

L

L

T

T

Q

K

S

T

L

T

A

A

L

R

D

E

L

L

A

A

E

P

Y

R

G

G

I

I

T

N

V

V

H

N

S

A

L

V

M

A

L
x
P

G

G

N

-

L

F

L
x
I

K

T

S
x
T

P

D

M

M

F

T

Q

D

S

K

L

L

L

-

P

-

Q

-

Y

-

A

-

T

-

K

-

L

-

G

-

I

-

K

-

P

D

D

E

Q

K

V

T

E

K

Q

E

Y

A

Y

M

I

L

D

A

K

Q

V

I

P

P

L

L

K

G

R

A

G

Y

C

G

D

T

Y

T

Q

E

D

D

V

I

L

A

N

N

M

A

L

V

L

L

F

F

Y

L

A

A

S

S

P

D

K

A

A

S

S

K

Y

Y

C

I

T

T

G

G

Q

Q

S

T

I

L

N

S

V

V

T

D

G

G

Q

M

V

V

M

M

active site: G16 (≠ T13), S142 (= S141), Q152 (≠ N151), Y155 (= Y154), K159 (= K158)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G9), S14 (≠ G11), R15 (≠ Q12), G16 (≠ T13), I17 (≠ L14), N35 (≠ V32), Y36 (≠ D33), N37 (≠ I34), G38 (≠ Q35), S39 (= S36), N63 (≠ D61), V64 (≠ A62), N90 (≠ S88), A91 (= A89), I93 (= I91), I113 (≠ V111), S142 (= S141), Y155 (= Y154), K159 (= K158), P185 (≠ L184), I188 (≠ L188), T190 (≠ S190)

Q48436 Diacetyl reductase [(S)-acetoin forming]; Acetoin(diacetyl) reductase; AR; Meso-2,3-butanediol dehydrogenase; EC 1.1.1.304 from Klebsiella pneumoniae (see paper)
31% identity, 99% coverage: 1:257/259 of query aligns to 1:254/256 of Q48436

query
sites
Q48436

M

M

N

K

Q

K

V

V

A

A

V
x
L

V
|
V

I
x
T

G
|
G

G
x
A

G
|
G

Q
|
Q

T
x
G

L
x
I

G
|
G

A
x
K

F
x
A

L
x
I

C
x
A

H
x
L

G
x
R

L
|
L

A
x
V

A
x
K

E
x
D

G
|
G

Y
x
F

R
x
A

V
|
V

A
|
A

V
x
I

V
x
A

D
|
D

I

Y

Q

N

S

D

D

A

K

T

A

A

A

K

N

A

V

V

A

A

Q

S

E

E

I

I

N

N

A

Q

E

A

Y

G

G

G

E

R

S

A

M

M

A

A

Y

V

G

K

F

V

G

-

A

-

D
|
D

A

V

T

S

S

D

E

R

Q

D

S

Q

V

V

L

F

A

A

L

A

S

V

R

E

G

Q

V

A

D

R

E

K

I

T

F

L

G

G

R

G

V

F

D

D

L

V

L

I

V

V

Y

N

S

N

A

A

G

G

I

V

A

A

K

P

A

S

A

T

F

P

I

I

S

E

D

S

F

I

Q

T

L

P

G

E

D

I

F

V

D

D

R

K

S

V

L

Y

Q

N

V

I

N

N

L

V

V

K

G

G

Y

V

F

I

L

W

C

G

A

I

R

Q

E

A

F

A

S

V

R

E

L

A

M

F

I

K

R

K

D

E

G

G

I

H

Q

G

G

G

R

K

I

I

Q

N

I

A

N

C

S

S

K

Q

S

A

G

G

K

H

V

V

G

G

S

N

K

P

H

E

N

L

S

A

G

V

Y

Y

S

S

A

S

K
|
K

F

F

G

A

G

V

V

R

G

G

L

L

T

T

Q

Q

S

T

L

A

A

A

L

R

D

D

L

L

A

A

E

P

Y

L

G

G

I

I

T

T

V

V

H

N

S

G

L

Y

M

C

L

P

G

G

N

-

L

I

L

V

K

K

S

T

P

P

M

M

F

W

Q

A

S

E

L

I

L

D

P

R

Q

Q

Y

V

A

S

T

E

K

A

L

A

G

G

I

K

K

P

P

L

D

G

Q

Y

V

G

E

T

Q

A

Y

E

Y

F

I

A

D

K

K

R

V

I

P

T

L

L

K

G

R

R

G

L

C

S

D

E

Y

P

Q

E

D

D

V

V

L

A

N

A

M

C

L

V

L

S

F

Y

Y

L

A

A

S

S

P

P

K

D

A

S

S

D

Y

Y

C

M

T

T

G

G

Q

Q

S

S

I

L

N

L

V

I

T

D

G

G

Q

M

V

V

6:33 (vs. 6:33, 36% identical) binding
D59 (= D61) binding
K156 (= K158) binding

1vl8B Crystal structure of gluconate 5-dehydrogenase (tm0441) from thermotoga maritima at 2.07 a resolution
33% identity, 98% coverage: 3:255/259 of query aligns to 7:248/252 of 1vl8B

query
sites
1vl8B

Q

R

V

V

A

A

V

L

V

V

I

T

G
|
G

G

G

G

S

Q
x
R

T
x
G

L
|
L

G

G

A

F

F

G

L

I

C

A

H

Q

G

G

L

L

A

A

A

E

E

A

G

G

Y

C

R

S

V

V

A

V

V

V

V

A

D
x
S

I
x
R

Q

N

S

L

D

E

K

E

A

A

A

S

N

E

V

A

A

A

Q

Q

E

K

I

L

N

T

A

E

E

K

Y

Y

G

G

-

V

E

E

S

T

M

M

A

A

Y

-

G

-

F

F

G

R

A
x
C

D
|
D

A
x
V

T

S

S

N

E

Y

Q

E

S

E

V

V

L

K

A

K

L

L

S

L

R

E

G

A

V

V

D

K

E

E

I

K

F

F

G

G

R

K

V

L

D

D

L

T

L

V

V

V

Y

N

S
x
A

A
|
A

G
|
G

I
|
I

A

N

K

R

A

R

A

H

F

P

I

A

S

E

D

E

F

F

Q

P

L

L

G

D

D

E

F

F

D

R

R

Q

S

V

L

I

Q

E

V
|
V

N

N

L

L

V

F

G

G

-

T

Y

Y

F

Y

L

V

C

C

A

R

R

E

E

A

F

F

S

S

R

-

L

-

M

L

I

L

R

R

D

E

G

S

I

D

Q

N

G

P

R

S

I

I

Q

N

I
|
I

N

G

S
|
S

K

L

S

T

-

V

G

E

K

E

V

V

G

T

S

M

K

P

H

N

N
x
I

S

S

G

A

Y
|
Y

S

A

A

A

A

S

K
|
K

F

G

G

G

G

V

V

A

G

S

L

L

T

T

Q

K

S

A

L

L

A

A

L

K

D

E

L

W

A

G

E

R

Y

Y

G

G

I

I

T

R

V

V

H

N

S

V

L

I

M

A

L
x
P

G
|
G

N

-

L

W

L
x
Y

K

R

S
x
T

P

K

M
|
M

F
x
T

Q

E

S

A

L

V

L

F

P

S

Q

D

Y

-

A

-

T

-

K

-

L

-

G

-

I

-

K

-

P

P

D

E

Q

K

V

L

E

D

Q

-

Y

Y

Y

M

I

L

D

K

K

R

V

I

P

P

L

L

K

G

R

R

G

T

C

G

D

V

Y

P

Q

E

D

D

V

L

L

K

N

G

M

V

L

A

L

V

F

F

Y

L

A

A

S

S

P

E

K

E

A

A

S

K

Y

Y

C

V

T

T

G

G

Q

Q

S

I

I

I

N

F

V

V

T

D

G

G

active site: G17 (≠ T13), S143 (= S141), I154 (≠ N151), Y157 (= Y154), K161 (= K158)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G9), R16 (≠ Q12), G17 (≠ T13), L18 (= L14), S37 (≠ D33), R38 (≠ I34), C63 (≠ A60), D64 (= D61), V65 (≠ A62), A91 (≠ S88), A92 (= A89), G93 (= G90), I94 (= I91), V114 (= V111), I141 (= I139), S143 (= S141), Y157 (= Y154), K161 (= K158), P187 (≠ L184), G188 (= G185), Y190 (≠ L188), T192 (≠ S190), M194 (= M192), T195 (≠ F193)

Q92506 (3R)-3-hydroxyacyl-CoA dehydrogenase; 17-beta-hydroxysteroid dehydrogenase 8; 17-beta-HSD 8; HSD17B8; 3-ketoacyl-[acyl-carrier-protein] reductase alpha subunit; KAR alpha subunit; 3-oxoacyl-[acyl-carrier-protein] reductase; Estradiol 17-beta-dehydrogenase 8; Protein Ke6; Ke6; Short chain dehydrogenase/reductase family 30C member 1; Testosterone 17-beta-dehydrogenase 8; EC 1.1.1.n12; EC 1.1.1.62; EC 1.1.1.239 from Homo sapiens (Human) (see 2 papers)
33% identity, 98% coverage: 4:258/259 of query aligns to 13:261/261 of Q92506

query
sites
Q92506

V

L

A

A

V
x
L

V
|
V

I
x
T

G
|
G

G
x
A

G
|
G

Q
x
S

T
x
G

L
x
I

G

G

A

R

F

A

L

V

C

S

H

V

G

R

L

L

A

A

A

G

E

E

G

G

Y

A

R

T

V

V

A

A

V

A

V

C

D
|
D

I
x
L

Q

-

S

-

D

D

K

R

A

A

N

-

V

-

A

A

Q

Q

E

E

I

T

N

V

A

R

E

L

Y

L

G

G

-

G

-

P

-

G

-

S

-

K

E

E

S

G

M

P

A

P

Y

R

G

G

-

N

-

H

-

A

F

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G

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A
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A

D
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D

A
x
V

T

S

S

E

E

A

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A

V

A

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R

A

C

L

L

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L

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Q

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A

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F

F

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S

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R

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D

P

L

S

L

V

V

V

Y

V

S

S

-

C

A

A

G

G

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I

A

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Q

A

D

A

E

F

F

I

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S

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M

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S

L

E

G

D

D

D

F

W

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Q

A

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V

N

N

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Y

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F

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C

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T

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E

A

F

A

S

A

R

Q

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A

M

L

I

V

R

S

D

N

G

G

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C

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x
R

G

G

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S

I

I

Q

N

I

I

N

S

S

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K

I

S
x
V

G

G

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K

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V

G

G

S

N

K

V

H

G

N

Q

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T

G

N

Y
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Y

S
x
A

A
|
A

A
x
S

K
|
K

F

A

G

G

G

V

V

I

G

G

L

L

T

T

Q

Q

S

T

L

A

A

A

L

R

D

E

L

L

A

G

E
x
R

Y

H

G

G

I

I

T

R

V

C

H

N

S

S

L

V

M

L

L

P

G

G

N

-

L

F

L
x
I

K
x
A

S
x
T

P

P

M

M

F

T

Q

Q

S

K

L

V

L

-

P

-

Q

-

Y

-

A

-

T

-

K

-

L

-

G

-

I

-

K

-

P

P

D

Q

Q

K

V

V

E

V

Q

D

Y

K

Y

I

I

T

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E

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M

V

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P

L

M

K

G

R

H

G

L

C

G

D

D

Y

P

Q

E

D

D

V

V

L

A

N

D

M

V

L

V

L

A

F

F

Y

L

A

A

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S

P

E

K

D

A

S

S

G

Y

Y

C

I

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G

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N

E

V

V

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T

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G

Q

L

V

F

M

M

15:23 (vs. 6:14, 33% identical) binding
D42 (= D33) mutation to A: Reduced NADH-dependent reductase activity with acetoacetyl-CoA. Reduced NADH-dependent reductase activity with 9,10-phenanthrene quinone. Increases NADPH-dependent reductase activities. No effect on the ability to restore growth of an OAR1-deficient yeast mutant.
DL 42:43 (≠ DI 33:34) binding
ADV 74:76 (≠ ADA 60:62) binding
R148 (≠ Q133) mutation to E: No effect on the ability to restore growth of an OAR1-deficient yeast mutant.
V158 (≠ S143) to L: in a breast cancer sample; somatic mutation
Y169 (= Y154) mutation to A: Strongly reduced NADH-dependent reductase activity with acetoacetyl-CoA. Strongly reduced NADH-dependent reductase activity with 9,10-phenanthrene quinone. Decreases NADPH-dependent reductase activity with acetoacetyl-CoA, but increases NADPH-dependent reductase activity with 9,10-phenanthrene quinone. No effect on the ability to restore growth of an OAR1-deficient yeast mutant.
YAASK 169:173 (≠ YSAAK 154:158) binding
K173 (= K158) mutation to A: Abolishes NADH-dependent reductase activity with acetoacetyl-CoA. Strongly reduced NADH-dependent reductase activity with 9,10-phenanthrene quinone. Slightly decreases NADPH-dependent reductase activity with acetoacetyl-CoA, but increases NADPH-dependent reductase activity with 9,10-phenanthrene quinone. No effect on the ability to restore growth of an OAR1-deficient yeast mutant.
R189 (≠ E174) mutation to E: No effect on the ability to restore growth of an OAR1-deficient yeast mutant.
IAT 202:204 (≠ LKS 188:190) binding

3sj7A Structure of beta-ketoacetyl-coa reductase (fabg) from staphylococcus aureus complex with NADPH (see paper)
33% identity, 98% coverage: 5:258/259 of query aligns to 4:239/239 of 3sj7A

query
sites
3sj7A

A

A

V

L

V

V

I

T

G
|
G

G

A

G
x
S

Q
x
R

T
x
G

L
x
I

G

G

A

R

F

S

L

I

C

A

H

L

G

Q

L

L

A

A

A

E

E

E

G

G

Y

Y

R

N

V

V

A

A

V

V

V
x
N

D
x
Y

I
x
A

Q
x
G

S
|
S

-

K

D

E

K

K

A

A

A

E

N

A

V

V

A

V

Q

E

E

E

I

I

N

K

A

A

E

K

Y

G

G

V

E

D

S

S

M

-

A

-

Y

F

G

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F

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G

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A
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A

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N

A
x
V

T

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Q

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E

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M

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F

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G

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V

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D

L

V

L

L

V

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Y

N

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x
N

A
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A

G

G

I

I

A

T

K

R

A

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A

N

F

L

I

L

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M

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M

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K

L

E

G

Q

D

E

F

W

D

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R

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Q

D

V
x
T

N

N

L

L

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K

G

G

Y

V

F

F

L

N

C

C

A

I

R

Q

E

K

F

A

S

T

R

P

L

Q

M

M

I

L

R

R

D

Q

G

R

I

-

Q

S

G

G

R

A

I

I

Q

N

I

L

N

S

S
|
S

K

V

S

V

G

G

K

A

V

V

G

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N

K

P

H

G

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x
Q

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Y

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K

F

A

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G

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V

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G

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A

A

A

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E

L

L

A

A

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S

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R

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G

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I

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T

V

V

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N

S

A

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M

A

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x
P

G
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G

N

-

L

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L

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K

V

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S

P

D

M

M

F

-

Q

-

S

-

L

-

P

-

Q

-

Y

-

A

-

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K

-

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G

-

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K

-

P

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D

Q

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V

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E

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Y

Q

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M

I

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K

Q

V

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P

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L

K

A

R

R

G

F

C

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Q

Y

D

Q

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D

D

V

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N

N

M

T

L

V

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F

F

Y

L

A

A

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S

P

D

K

K

A

A

S

K

Y

Y

C

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T

G

G

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Q

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N

H

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G

G

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M

V

Y

M

M

active site: G12 (≠ T13), S138 (= S141), Q148 (≠ N151), Y151 (= Y154), K155 (= K158)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G8 (= G9), S10 (≠ G11), R11 (≠ Q12), I13 (≠ L14), N31 (≠ V32), Y32 (≠ D33), A33 (≠ I34), G34 (≠ Q35), S35 (= S36), A58 (= A60), N59 (≠ D61), V60 (≠ A62), N86 (≠ S88), A87 (= A89), T109 (≠ V111), S138 (= S141), Y151 (= Y154), K155 (= K158), P181 (≠ L184), G182 (= G185)

4dmmB 3-oxoacyl-[acyl-carrier-protein] reductase from synechococcus elongatus pcc 7942 in complex with NADP
33% identity, 99% coverage: 2:258/259 of query aligns to 5:239/240 of 4dmmB

query
sites
4dmmB

N

D

Q

R

V

I

A

A

V

L

V

V

I

T

G
|
G

G

A

G
x
S

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x
R

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x
G

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x
I

G

G

A

R

F

A

L

I

C

A

H

L

G

E

L

L

A

A

E

A

G

G

Y

A

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V

V

A

A

V

V

V

-

D

N

I

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x
A

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S

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x
S

K

A

A

G

A

A

N

A

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E

Q

V

E

V

I

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N

A

A

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A

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G

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E

A

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F

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A
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A

D
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D

A
x
V

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Q

E

E

Q

S

S

E

V

V

L

E

A

A

L

L

S

F

R

A

G

A

V

V

D

I

E

E

I

R

F

W

G

G

R

R

V

L

D

D

L

V

L

L

V

V

Y

N

S
x
N

A
|
A

G

G

I

I

A

T

K

R

A

D

A

T

F

L

I

L

S

L

D

R

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Q

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L

R

G

D

D

D

F

W

D

Q

R

S

S

V

L

L

Q

D

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x
L

N

N

L

L

V

G

G

G

Y

V

F

F

L

L

C

C

A

S

R

R

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A

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A

S

A

R

K

L

I

M

M

I

L

R

K

D

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G

R

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Q

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G

G

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R

I

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Q

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I
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I

N

A

S
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S

K

V

S

V

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G

K

E

V

M

G

G

S

N

K

P

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x
Q

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Y

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K

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A

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G

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I

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T

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V

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S

A

L

V

M

-

L

-

G

-

N

-

L

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K

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S

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P

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x
G

F

F

Q

-

S

-

L

-

P

-

Q

-

Y

-

A

-

T

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K

-

L

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G

-

I
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I

K

A

P
x
T

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D

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x
M

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T

E

S

Q

-

Y

-

Y

L

I

L

D

E

K

V

V

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P

P

L

L

K

G

R

R

G

Y

C

G

D

E

Y

A

Q

A

D

E

V

V

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A

N

G

M

V

L

V

L

R

F

F

Y

L

A

A

S

A

-

D

P

P

K

A

A

A

S

A

Y

Y

C

I

T

T

G

G

Q

Q

S

V

I

I

N

N

V

I

T

D

G

G

Q

L

V

V

M

M

active site: G16 (≠ T13), S142 (= S141), Q152 (≠ N151), Y155 (= Y154), K159 (= K158)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G9), S14 (≠ G11), R15 (≠ Q12), G16 (≠ T13), I17 (≠ L14), A37 (≠ Q35), S38 (= S36), S39 (≠ D37), A62 (= A60), D63 (= D61), V64 (≠ A62), N90 (≠ S88), A91 (= A89), L113 (≠ V111), I140 (= I139), S142 (= S141), Y155 (= Y154), K159 (= K158), P185 (= P191), G186 (≠ M192), I188 (= I206), T190 (≠ P208), M192 (≠ Q210)

1gegE Cryatal structure analysis of meso-2,3-butanediol dehydrogenase (see paper)
31% identity, 99% coverage: 1:257/259 of query aligns to 1:254/256 of 1gegE

query
sites
1gegE

M

M

N

K

Q

K

V

V

A

A

V

L

V

V

I

T

G
|
G

G

A

G

G

Q
|
Q

T
x
G

L
x
I

G

G

A

K

F

A

L

I

C

A

H

L

G

R

L

L

A

V

A

K

E

D

G

G

Y

F

R

A

V

V

A

A

V

I

V

A

D
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D

I
x
Y

Q

N

S

D

D

A

K

T

A

A

A

K

N

A

V

V

A

A

Q

S

E

E

I

I

N

N

A

Q

E

A

Y

G

G

G

E

H

S

A

M

V

A

A

Y

V

G

K

F
x
V

G

-

A

-

D
|
D

A
x
V

T

S

S

D

E
x
R

Q
x
D

S

Q

V

V

L
x
F

A

A

L

A

S

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E

G

Q

V

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D

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E

K

I

T

F

L

G

G

R

G

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F

D

D

L

V

L

I

V

V

Y

N

S
x
N

A
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A

G

G

I

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A

A

K

P

A

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A

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I

I

S

E

D

S

F

I

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T

L

P

G

E

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I

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D

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K

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N

V
x
I

N

N

L

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K

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G

Y

V

F

I

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W

C

G

A

I

R

Q

E

A

F

A

S

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R
x
E

L

A

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F

I

K

R

K

D

E

G

G

I

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Q

G

G

G

R

K

I

I

Q

N

I

A

N

C

S
|
S

K

Q

S

A

G

G

K

H

V

V

G

G

S

N

K

P

H

E

N

L

S

A

G

V

Y
|
Y

S

S

A

S

K
|
K

F

F

G

A

G

V

V

R

G

G

L

L

T

T

Q

Q

S

T

L

A

A

A

L

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D

D

L

L

A

A

E

P

Y

L

G

G

I

I

T

T

V

V

H

N

S

G

L

Y

M

C

L
x
P

G

G

N

-

L

I

L
x
V

K

K

S
x
T

P

P

M
|
M

F

W

Q

A

S

E

L

I

L

D

P

R

Q

Q

Y
x
V

A

S

T

E

K

A

L

A

G

G

I

K

K

P

P

L

D

G

Q

Y

V

G

E

T

Q

A

Y

E

Y

F

I

A

D

K

K

R

V

I

P

T

L

L

K

G

R

R

G

L

C

S

D

E

Y

P

Q

E

D

D

V

V

L

A

N

A

M

C

L

V

L

S

F

Y

Y

L

A

A

S

S

P

P

K

D

A

S

S

D

Y

Y

C

M

T

T

G

G

Q

Q

S

S

I

L

N

L

V

I

T

D

G

G

Q

M

V

V

active site: G13 (≠ T13), S139 (= S141), Y152 (= Y154), K156 (= K158), V197 (≠ Y200)
binding alpha-D-glucopyranose: R63 (≠ E65), D64 (≠ Q66), F67 (≠ L69), E123 (≠ R125)
binding nicotinamide-adenine-dinucleotide: G9 (= G9), Q12 (= Q12), I14 (≠ L14), D33 (= D33), Y34 (≠ I34), V58 (≠ F58), D59 (= D61), V60 (≠ A62), N86 (≠ S88), A87 (= A89), I109 (≠ V111), S139 (= S141), Y152 (= Y154), K156 (= K158), P182 (≠ L184), V185 (≠ L188), T187 (≠ S190), M189 (= M192)

7x5jC Acp-dependent oxoacyl reductase
35% identity, 99% coverage: 3:259/259 of query aligns to 5:254/256 of 7x5jC

query
sites
7x5jC

Q

R

V

V

A

A

V

L

V

V

I

T

G
|
G

G

G

G
x
S

Q

G

T
x
G

L
|
L

G

G

A

R

F

V

L

H

C

A

H

L

G

T

L

L

A

A

A

Q

E

N

G

G

Y

A

R

D

V

V

A

A

V

V

V

T

D

G

I
x
N

Q
x
R

S
x
N

-

I

D

D

K

K

A

A

A

E

N

S

V

V

A

A

Q

N

E

E

I

I

N

R

A

A

E

L

Y

G

G

R

E

K

S

A

M

L

A

A

Y

-

G

-

F

I

G

K

A

V

D
|
D

A
x
V

T

S

S

N

E

E

Q

D

S

E

V

V

L

-

A

-

L

-

S

N

R

E

G

G

V

V

D

E

E

K

I

I

-

K

-

E

F

L

G

G

R

S

V

V

D

D

L

I

L

L

V

V

Y

N

S
x
N

A
|
A

-
x
A

-

S

G

G

I

I

A

V

K

R

A

A

A

T

F

L

I

I

S

E

D

K

F

T

Q

A

L

K

G

E

D

D

F

W

D

D

R

Q

S

D

L

L

Q

R

V
|
V

N

N

L

L

V

T

G

G

Y

A

F

F

L

N

C

C

A

I

R

K

E

A

F

V

S

I

R

P

L

D

M

M

I

K

R

K

D

N

G

N

I

-

Q

W

G

G

R

R

I

I

Q

N

I
|
I

N

S

S

S

K

V

S

T

G

G

K

T

V

M

G

G

S

G

K

S

H

G

N

Q

S

C

G

S

Y
|
Y

S

A

A

T

K
|
K

F

A

G

G

G

L

V

I

G

G

L

L

T

T

Q

K

S

T

L

V

A

A

L

L

D

E

L

G

A

A

E

R

Y

Y

G

N

I

I

T

T

V

C

H

N

S

A

L

L

M

V

L
|
L

G
|
G

N
x
V

L

F

L

G

K

G

S

R

P

G

M
x
R

F

E

Q

D

S
|
S

L
x
S

L

F

P

Y

Q

D

Y

V

A

A

T

-

K

-

L

-

G

-

I

-

K

-

P

-

D

E

Q

P

V

F

E

R

Q

E

Y

R

Y

I

I

I

D

K

K

R

V

T

P

A

L

M

K

R

R

R

G

P

C

G

D

D

Y

P

Q

K

D

E

V

L

L

S

N

N

M

V

L

L

L

A

F

F

Y

L

A

A

S

S

P

D

K

E

A

A

S

S

Y

Y

C

V

T

T

G

G

Q

D

S

A

I

I

N

V

V

V

T

G

G

G

Q

I

V

D

M

L

F

F

binding nadp nicotinamide-adenine-dinucleotide phosphate: G11 (= G9), S13 (≠ G11), G15 (≠ T13), L16 (= L14), N36 (≠ I34), R37 (≠ Q35), N38 (≠ S36), D62 (= D61), V63 (≠ A62), N89 (≠ S88), A90 (= A89), A91 (vs. gap), V114 (= V111), I141 (= I139), Y156 (= Y154), K160 (= K158), L186 (= L184), G187 (= G185), V188 (≠ N186), R194 (≠ M192), S197 (= S195), S198 (≠ L196)

7tzpG Crystal structure of putataive short-chain dehydrogenase/reductase (fabg) from klebsiella pneumoniae subsp. Pneumoniae ntuh-k2044 in complex with nadh (see paper)
32% identity, 99% coverage: 2:258/259 of query aligns to 8:247/247 of 7tzpG

query
sites
7tzpG

N

S

Q

K

V

T

A

A

V

I

V

V

I

T

G
|
G

G

A

Q
x
R

T
x
G

L
x
I

G

G

A

F

F

G

L

I

C

A

H

Q

G

V

L

L

A

A

A

R

E

E

G

G

Y

A

R

R

V

V

A

I

V

I

V

A

D
|
D

-
x
R

-

D

I

A

Q

H

S

G

D

E

K

A

A

A

N

A

V

S

A

L

Q

R

E

E

I

S

N

G

A

A

E

Q

Y

-

G

-

E

-

S

-

M

-

A

A

Y

L

G

F

F

I

G

S

A
x
C

D

N

A
x
I

T

A

S

E

E

K

Q

T

S

Q

V

V

L

E

A

A

L

L

S

F

R

S

G

Q

V

A

D

E

E

E

I

A

F

F

G

G

R

P

V

V

D

D

L

I

L

L

V

V

Y

N

S
x
N

A

A

G
|
G

I
|
I

A

N

K

R

A

D

A

A

F

M

I

L

S

H

D

K

F

L

Q

T

L

E

G

A

D

D

F

W

D

D

R

T

S

V

L

I

Q

D

V
|
V

N

N

L

L

V

K

G

G

Y

T

F

F

L

L

C

C

A

M

R

Q

E

Q

F

A

S

A

R

-

L

I

M

R

I

M

R

R

D

E

G

R

I

G

Q

A

G

G

R

R

I

I

Q

N

I

I

N

A

S

S

K

A

S

S

G

-

K

W

V

L

G

G

S

N

K

V

H

G

N

Q

S

T

G

N

Y
|
Y

S

S

A

A

A

S

K
|
K

F

A

G

G

G

V

V

V

G

G

L

M

T

T

Q

K

S

T

L

A

A

C

L

R

D

E

L

L

A

A

E

K

Y

K

G

G

I

V

T

T

V

V

H

N

S

A

L

I

M

C

L

P

G

G

N

-

L

F

L
x
I

K

D

S
x
T

P

D

M

M

F
x
T

Q

R

S

G

L

V

L

-

P

-

Q

-

Y

-

A

-

T

-

K

-

L

-

G

-

I

-

K

-

P

P

D

E

Q

N

V

V

E

W

Q

Q

Y

I

Y

M

I

V

D

S

K

K

V

I

P

P

L

A

K

G

R

Y

G

A

C

G

D

E

Y

A

Q

K

D

D

V

V

L

G

N

E

M

C

L

V

L

A

F

F

Y

L

A

A

S

S

P

D

K

G

A

A

S

R

Y

Y

C

I

T

N

G

G

Q

E

S

V

I

I

N

N

V

V

T

G

G

G

Q

M

V

V

M

L

binding 1,4-dihydronicotinamide adenine dinucleotide: G15 (= G9), R18 (≠ Q12), G19 (≠ T13), I20 (≠ L14), D39 (= D33), R40 (vs. gap), C63 (≠ A60), I65 (≠ A62), N91 (≠ S88), G93 (= G90), I94 (= I91), V114 (= V111), Y155 (= Y154), K159 (= K158), I188 (≠ L188), T190 (≠ S190), T193 (≠ F193)

3op4A Crystal structure of putative 3-ketoacyl-(acyl-carrier-protein) reductase from vibrio cholerae o1 biovar eltor str. N16961 in complex with NADP+ (see paper)
28% identity, 99% coverage: 3:259/259 of query aligns to 9:247/247 of 3op4A

query
sites
3op4A

Q

K

V

V

A

A

V

L

V

V

I

T

G
|
G

G

A

G
x
S

Q
x
R

T

G

L
x
I

G

G

A

K

F

A

L

I

C

A

H

E

G

L

L

L

A

A

A

E

E

R

G

G

Y

A

R

K

V

V

A

-

V

-

D

-

I

I

Q

G

S

T

D

A

K
x
T

A

S

A

E

N

S

V

G

A

A

Q

Q

E

A

I

I

N

S

A

D

E

Y

Y

L

G

G

E

D

S

N

M

-

A

G

Y

K

G

G

F

M

G

A

A

L

D
x
N

A
x
V

T

T

S

N

E

P

Q

E

S

S

V

I

L

E

A

A

L

V

S

L

R

K

G

A

V

I

D

T

E

D

I

E

F

F

G

G

R

G

V

V

D

D

L

I

L

L

V

V

Y

N

S
x
N

A
|
A

G

G

I
|
I

A

T

K

R

A

D

A

N

F

L

I

L

S

M

D

R

F

M

Q

K

L

E

G

E

D

E

F

W

D

S

R

D

S

I

L

M

Q

E

V

T

N

N

L

L

V

T

G

S

Y

I

F

F

L

R

C

L

A

S

R

K

E

A

F

V

S

L

R

R

L

G

M

M

I

M

R

K

D

K

G

R

I

-

Q

Q

G

G

R

R

I

I

Q

N

I
x
V

N

G

S
|
S

K

V

S

V

G

G

K

T

V

M

G

G

S

N

K

A

H

G

N

Q

S

A

G

N

Y
|
Y

S

A

A

A

K
|
K

F

A

G

G

G

V

V

I

G

G

L

F

T

T

Q

K

S

S

L

M

A

A

L

R

D

E

L

V

A

A

E

S

Y

R

G

G

I

V

T

T

V

V

H

N

S

T

L

V

M

A

L
x
P

G
|
G

N

-

L

F

L
x
I

K

E

S
x
T

P

D

M
|
M

F

T

Q

K

S

A

L

L

L

-

P

-

Q

-

Y

-

A

-

T

-

K

-

L

-

G

-

I

-

K

-

P

N

D

D

Q

E

V

Q

E

R

Q

T

Y

A

Y

T

I

L

D

A

K

Q

V

V

P

P

L

A

K

G

R

R

G

L

C

G

D

D

Y

P

Q

R

D

E

V

I

L

A

N

S

M

A

L

V

L

A

F

F

Y

L

A

A

S

S

P

P

K

E

A

A

S

A

Y

Y

C

I

T

T

G

G

Q

E

S

T

I

L

N

H

V

V

T

N

G

G

Q

M

V

Y

M

M

F

I

binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G9), S17 (≠ G11), R18 (≠ Q12), I20 (≠ L14), T40 (≠ K38), N62 (≠ D61), V63 (≠ A62), N89 (≠ S88), A90 (= A89), I92 (= I91), V139 (≠ I139), S141 (= S141), Y154 (= Y154), K158 (= K158), P184 (≠ L184), G185 (= G185), I187 (≠ L188), T189 (≠ S190), M191 (= M192)

Q9L9F8 Short-chain reductase protein NovJ; Novobiocin biosynthesis protein J; EC 1.1.1.- from Streptomyces niveus (Streptomyces spheroides) (see paper)
34% identity, 98% coverage: 2:256/259 of query aligns to 16:261/262 of Q9L9F8

query
sites
Q9L9F8

N

E

Q

S

V

V

A

A

V

M

V

V

I

T

G

G

G

A

G

G

Q

R

T

G

L

I

G

G

A

A

F

A

L

T

C

A

H

E

G

R

L

L

A

A

E

E

G

G

Y

M

R

A

V

V

A

I

V

V

D

D

-

R

I

T

Q

E

S

Q

D

D

K

T

A

R

A

A

N

T

V

V

A

A

Q

A

E

-

I

I

N

R

A

T

E

A

Y

G

G

G

E

R

S

-

M

-

A

A

Y

R

G

G

F

I

G

G

A

C

D

D

A

V

T

A

S

V

E

A

Q

Q

S

A

V

V

L

T

A

A

L

A

S

V

R

A

G

T

V

A

D

V

E

E

I

E

F

F

G

G

R

R

V

I

D

D

L

V

L

L

V

V

Y

N

S

C

A

A

G

G

I

I

A

N

K

R

A

D

A

R

F

L

I

L

S

L

D

T

F

M

Q

G

L

D

G

Q

D

E

F

W

D

D

R

T

S

V

L

L

Q

D

V

V

N

N

L

L

V

G

G

G

Y

T

F

M

L

R

C

C

A

S

R

F

E

A

F

V

S

G

R

R

L

H

M

M

I

R

R

R

D

Q

G

G

I

-

Q

H

G

G

R

R

I

I

Q

N

I

F

N

S

S
|
S

K

V

S

A

G

A

K

R

V

-

G

G

S

N

K

A

H

G

N

Q

S

T

G

N

Y
|
Y

S

A

A

T

A

A

K
|
K

F

G

G

A

G

I

V

A

G

G

L

F

T

T

Q

R

S

T

L

L

A

A

L

A

D

E

L

L

A

G

E

P

Y

H

G

G

I

V

T

T

V

V

H

N

S

A

L

I

M

A

L

P

G

G

N

-

L

F

L

V

K

A

S

T

P

P

M

M

F

V

Q

D

S

E

L

L

L

-

P

-

Q

-

Y

-

A

A

T

E

K

R

L

L

G

G

I

G

K

D

P

R

D

D

Q

S

V

V

E

M

Q

S

Y

E

Y

A

I

A

D

K

K

S

V

S

P

A

L

V

K

G

R

R

G

I

C

G

D

T

Y

P

Q

E

D

E

V

I

L

A

N

A

M

T

L

V

F

F

Y

V

A

A

S

R

P

P

K

E

A

S

S

G

Y

Y

C

L

T

T

G

G

Q

E

S

T

I

V

N

H

V

V

T

D

G

G

Q

R

S152 (= S141) mutation to A: 2-3-fold decrease in beta-ketotyrosine product formation.
Y164 (= Y154) mutation to F: 50-fold reduction in catalytic activity.
K168 (= K158) mutation to I: Does not alter the catalytic turnover.

3ak4A Crystal structure of nadh-dependent quinuclidinone reductase from agrobacterium tumefaciens
31% identity, 98% coverage: 5:258/259 of query aligns to 10:257/258 of 3ak4A

query
sites
3ak4A

A

A

V

I

V

V

I

T

G

G

G

S

Q
x
K

T
x
G

L
x
I

G

G

A

A

F

A

L

I

C

A

H

R

G

A

L

L

A

D

A

K

E

A

G

G

Y

A

R

T

V

V

A

A

V

I

V

A

D
|
D

I
x
L

Q

D

S

V

D

M

K

A

A

A

A

Q

N

A

V

V

A

V

Q

A

E

G

I

L

N

-

A

-

E

-

Y

-

G

-

E

E

S

N

M

G

A

G

Y

F

G

A

F

V

G

E

A
x
V

D
|
D

A
x
V

T

T

S

K

E

R

Q

A

S

S

V

V

L

D

A

A

L

A

S

M

R

Q

G

K

V

A

D

I

E

D

I

A

F

L

G

G

R

G

V

F

D

D

L

L

V

C

Y

A

S
x
N

A
|
A

G
|
G

I

V

A

S

K

T

A

M

A

R

F

P

I

A

S

V

D

D

F

I

Q

T

L

D

G

E

D

E

F

W

D

D

R

F

S

N

L

F

Q

D

V

V

N

N

L

A

V

R

G

G

Y

V

F

F

L

L

C

A

A

N

R

Q

E

I

F

A

S

C

R

R

L

H

M

F

I

L

R

A

D

S

G

N

I

T

Q

K

G

G

R

V

I

I

I

V

Q

N

I
x
T

N

A

S
|
S

K

L

S

A

G

A

K

K

V

V

G

G

S

A

K

P

H

L

N
x
L

S

A

G

H

Y
|
Y

S

S

A

A

A

S

K
|
K

F

F

G

A

G

V

V

F

G

G

L

W

T

T

Q

Q

S

A

L

L

A

A

L

R

D

E

L

M

A

A

E

P

Y

K

G

N

I

I

T

R

V

V

H

N

S

C

L

V

M

C

L

P

G
|
G

N

-

L

F

L
x
V

K

K

S
x
T

P

A

M
|
M

F

Q

Q

E

S

R

L

E

L

I

P

I

Q

W

Y
x
E

A

A

T

E

K

L

L

R

G

G

I

M

K

T

P

P

D

E

Q

A

V

V

E

R

Q

A

Y

E

Y

Y

I

V

D

S

K

L

V

T

P

P

L

L

K

G

R

R

G

I

C

E

D

E

Y

P

Q

E

D

D

V

V

L

A

N

D

M

V

L

V

F

F

Y

L

A

A

S

S

P

D

K

A

A

A

S

R

Y

F

C

M

T

T

G

G

Q

Q

S

G

I

I

N

N

V

V

T

T

G

G

Q

V

V

R

M

M

active site: G18 (≠ T13), S141 (= S141), L151 (≠ N151), Y154 (= Y154), K158 (= K158), E199 (≠ Y200)
binding nicotinamide-adenine-dinucleotide: K17 (≠ Q12), G18 (≠ T13), I19 (≠ L14), D38 (= D33), L39 (≠ I34), V60 (≠ A60), D61 (= D61), V62 (≠ A62), N88 (≠ S88), A89 (= A89), G90 (= G90), T139 (≠ I139), S141 (= S141), Y154 (= Y154), K158 (= K158), G185 (= G185), V187 (≠ L188), T189 (≠ S190), M191 (= M192)

Q9LBG2 Levodione reductase; (6R)-2,2,6-trimethyl-1,4-cyclohexanedione reductase; EC 1.1.1.- from Leifsonia aquatica (Corynebacterium aquaticum) (see paper)
30% identity, 98% coverage: 2:256/259 of query aligns to 13:263/267 of Q9LBG2

query
sites
Q9LBG2

N

D

Q

R

V

V

A

V

V
x
L

V
x
I

I
x
T

G
|
G

Q
x
S

T
x
G

L
|
L

G
|
G

A
x
R

F
x
A

L
x
T

C
x
A

H
x
V

G
x
R

L
|
L

A
|
A

E
|
E

G
|
G

Y
x
A

R
x
K

V
x
L

A
x
S

V
x
L

V

V

D

D

I

V

Q

S

S

S

D

E

-

G

-

L

-

E

-

A

-

S

K

K

A

A

N

V

V

L

A

E

Q

T

E

A

I

P

N

D

A

A

E

E

Y

V

G

L

E

T

S

T

M

V

A

A

Y

-

G

-

F

-

G

-

A

-

D

D

A

V

T

S

S

D

E

E

Q

A

S

Q

V

V

L

E

A

A

L

Y

S

V

R

T

G

A

V

T

D

T

E

E

I

R

F

F

G

G

R

R

V

I

D

D

L

G

L

F

V

F

Y

N

S

N

A

A

G

G

I

I

-
x
E

A

G

K

K

A

Q

A

N

F

P

I

T

S

E

D

S

F

F

Q

T

L

A

G

A

D

E

F

F

D

D

R

K

S

V

L

V

Q

S

V

I

N

N

L

L

V

R

G

G

Y

V

F

F

L

L

C

G

A

L

R

E

E

K

F

V

S

L

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K

L

I

M

M

I

R

R

E

D

Q

G

G

I

-

Q

S

G

G

R

M

I

V

Q

N

I

T

N

A

S

S

K

V

S

G

G

G

K

I

V

R

G

G

S

I

K

G

H

N

N

Q

S

S

G

G

Y

Y

S

A

A

A

K

K

F

H

G

G

G

V

V

V

G

G

L

L

T

T

Q

R

S

N

L

S

A

A

L

V

D

E

L

Y

A

G

E

R

Y

Y

G

G

I

I

T

R

V

I

H

N

S

A

L

I

M

A

L

P

G

G

N

A

L

I

L

W

K

-

S

T

P

P

M

M

F

V

Q

E

S

N

L

S

L

M

P

K

Q

Q

Y

L

A

D

T

P

K

E

L

-

G

-

I

-

K

N

P

P

D

R

Q

K

V

A

E

A

Q

E

Y

E

Y

F

I

I

D

Q

K

V

V

N

P

P

L

S

K

K

R

R

G

Y

C

G

D

E

Y

A

Q

P

D

E

V

I

L

A

N

A

M

V

L

V

L

A

F

F

Y

L

A

L

S

S

P

D

K

D

A

A

S

S

Y

Y

C

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N

G

A

Q

T

S

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I

V

N

P

V

I

T

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G

G

Q

Q

17:42 (vs. 6:31, 38% identical) binding
E103 (vs. gap) mutation E->A,D,N,Q: 26-fold increase in Km and a much lower enantiomeric excess of the reaction products.

1iy8A Crystal structure of levodione reductase (see paper)
30% identity, 98% coverage: 2:256/259 of query aligns to 4:254/258 of 1iy8A

query
sites
1iy8A

N

D

Q

R

V

V

A

V

V

L

V

I

I

T

G
|
G

G

G

Q
x
S

T
x
G

L
|
L

G

G

A

R

F

A

L

T

C

A

H

V

G

R

L

L

A

A

E

E

G

G

Y

A

R

K

V

L

A

S

V

L

V

V

D
|
D

I
x
V

Q

S

S

S

D

E

-

G

-

L

-

E

-

A

-

S

K

K

A

A

N

V

V

L

A

E

Q

T

E

A

I

P

N

D

A

A

E

E

Y

V

G

L

E

T

S

T

M

V

A
|
A

Y

-

G

-

F

-

G

-

A

-

D
|
D

A
x
V

T

S

S

D

E

E

Q

A

S

Q

V

V

L

E

A

A

L

Y

S

V

R

T

G

A

V

T

D

T

E

E

I

R

F

F

G

G

R

R

V

I

D

D

L

G

L

F

V

F

Y

N

S
x
N

A

A

G
|
G

I
|
I

-

E

A

G

K

K

A

Q

A

N

F

P

I

T

S

E

D

S

F

F

Q

T

L

A

G

A

D

E

F

F

D

D

R

K

S

V

L

V

Q

S

V

I

N

N

L

L

V

R

G

G

Y

V

F

F

L

L

C

G

A

L

R

E

E

K

F

V

S

L

R

K

L

I

M

M

I

R

R

E

D

Q

G

G

I

-

Q

S

G

G

R

M

I

V

Q

N

I
x
T

N

A

S
|
S

K

V

S

G

G

G

K

I

V

R

G

G

S

I

K

G

H

N

N
x
Q

S

S

G

G

Y
|
Y

S

A

A

A

K
|
K

F

H

G

G

G

V

V

V

G

G

L

L

T

T

Q

R

S

N

L

S

A

A

L

V

D

E

L

Y

A

G

E

R

Y

Y

G

G

I

I

T

R

V

I

H

N

S

A

L

I

M

A

L
x
P

G
|
G

N

A

L

I

L

W

K

-

S
x
T

P
|
P

M
|
M

F

V

Q

E

S

N

L

S

L

M

P

K

Q

Q

Y

L

A

D

T

P

K

E

L

-

G

-

I

-

K

N

P

P

D

R

Q

K

V

A

E

A

Q

E

Y

E

Y

F

I

I

D

Q

K

V

V

N

P

P

L

S

K

K

R

R

G

Y

C

G

D

E

Y

A

Q

P

D

E

V

I

L

A

N

A

M

V

L

V

L

A

F

F

Y

L

A

L

S

S

P

D

K

D

A

A

S

S

Y

Y

C

V

T

N

G

A

Q

T

S

V

I

V

N

P

V

I

T

D

G

G

Q

Q

active site: G15 (≠ T13), S143 (= S141), Q153 (≠ N151), Y156 (= Y154), K160 (= K158)
binding nicotinamide-adenine-dinucleotide: G11 (= G9), S14 (≠ Q12), G15 (≠ T13), L16 (= L14), D35 (= D33), V36 (≠ I34), A62 (= A55), D63 (= D61), V64 (≠ A62), N90 (≠ S88), G92 (= G90), I93 (= I91), T141 (≠ I139), S143 (= S141), Y156 (= Y154), K160 (= K158), P186 (≠ L184), G187 (= G185), T191 (≠ S190), P192 (= P191), M193 (= M192)

Query Sequence

>16789 FitnessBrowser__Keio:16789
MNQVAVVIGGGQTLGAFLCHGLAAEGYRVAVVDIQSDKAANVAQEINAEYGESMAYGFGA
DATSEQSVLALSRGVDEIFGRVDLLVYSAGIAKAAFISDFQLGDFDRSLQVNLVGYFLCA
REFSRLMIRDGIQGRIIQINSKSGKVGSKHNSGYSAAKFGGVGLTQSLALDLAEYGITVH
SLMLGNLLKSPMFQSLLPQYATKLGIKPDQVEQYYIDKVPLKRGCDYQDVLNMLLFYASP
KASYCTGQSINVTGGQVMF

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