SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing GFF722 FitnessBrowser__Phaeo:GFF722 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)

5wjsA Crystal structure of oxidoreductase (short chain dehydrogenase/reductase family) from burkholderia thailandensis complexed with nadh
50% identity, 96% coverage: 5:251/256 of query aligns to 9:256/258 of 5wjsA

query
sites
5wjsA

A

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active site: G27 (= G23), S152 (= S147), Y162 (= Y157), Y165 (= Y160), K169 (≠ N164)
binding 1,4-dihydronicotinamide adenine dinucleotide: G23 (= G19), A25 (≠ G21), T26 (≠ S22), G27 (= G23), I28 (= I24), D47 (≠ G43), L48 (≠ R44), C72 (= C67), D73 (= D68), L74 (≠ I69), T75 (= T70), N100 (= N95), A101 (= A96), A102 (= A97), V123 (≠ I118), L150 (≠ F145), G151 (≠ T146), S152 (= S147), Y165 (= Y160), K169 (≠ N164), P195 (= P190), G196 (= G191), W197 (= W192), V198 (= V193), T200 (= T195), K202 (= K197), Q203 (= Q198)

7wwxA Crystal structure of herbaspirillum huttiense l-arabinose 1- dehydrogenase (NAD bound form) (see paper)
48% identity, 97% coverage: 5:253/256 of query aligns to 4:254/254 of 7wwxA

query
sites
7wwxA

A

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N

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binding nicotinamide-adenine-dinucleotide: G18 (= G19), T21 (≠ S22), G22 (= G23), I23 (= I24), D42 (≠ G43), I43 (vs. gap), C68 (= C67), D69 (= D68), L70 (≠ I69), N96 (= N95), A97 (= A96), A98 (= A97), F146 (= F145), S147 (≠ T146), S148 (= S147), Y161 (= Y160), K165 (≠ N164), P191 (= P190), G192 (= G191), W193 (= W192), V194 (= V193), T196 (= T195), R198 (≠ K197), Q199 (= Q198)

4jroC Crystal structure of 3-oxoacyl-[acyl-carrier protein]reductase (fabg) from listeria monocytogenes in complex with NADP+
35% identity, 96% coverage: 10:254/256 of query aligns to 3:247/247 of 4jroC

query
sites
4jroC

L

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active site: G16 (= G23), S142 (= S147), Q152 (≠ Y157), Y155 (= Y160), K159 (≠ N164)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G19), S14 (≠ G21), R15 (≠ S22), G16 (= G23), I17 (= I24), N35 (≠ V42), Y36 (vs. gap), N37 (vs. gap), G38 (= G43), S39 (≠ R44), A62 (≠ C67), N63 (≠ D68), V64 (≠ I69), N90 (= N95), A91 (= A96), G92 (≠ A97), I93 (≠ N98), I113 (= I118), A141 (≠ T146), S142 (= S147), Y155 (= Y160), K159 (≠ N164), P185 (= P190), G186 (= G191), I188 (≠ V193), T190 (= T195)

7krmC Putative fabg bound to nadh from acinetobacter baumannii
37% identity, 96% coverage: 10:254/256 of query aligns to 3:243/244 of 7krmC

query
sites
7krmC

L

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active site: G18 (= G23), S140 (= S147), Y155 (= Y160)
binding nicotinamide-adenine-dinucleotide: G12 (= G19), A14 (≠ G21), S15 (= S22), G18 (= G23), I19 (= I24), D38 (≠ G43), L39 (≠ T48), A60 (≠ C67), N61 (≠ D68), V62 (≠ I69), N88 (= N95), A89 (= A96), G90 (≠ A97), I91 (≠ N98), V111 (≠ I118), L138 (≠ F145), S139 (≠ T146), S140 (= S147), Y155 (= Y160), K159 (≠ N164), P185 (= P190), G186 (= G191), I188 (≠ V193), T190 (= T195)

4nbuB Crystal structure of fabg from bacillus sp (see paper)
35% identity, 96% coverage: 10:254/256 of query aligns to 5:244/244 of 4nbuB

query
sites
4nbuB

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N
|
N

L

L

K

T

A

G

Y

V

F

F

F

H

A

C

C

T

Q

Q

A

A

V

V

L

L

P

P

G

Y

M

M

Q

A

A

E

A

Q

G

G

G

K

G

G

S

K

I

I

V

I

N

N

F
x
T

T
x
S

S
|
S

I

V

S
x
T

Y

G

M

T

M

Y

G

G

N
|
N

N
x
V

G
|
G

Y
x
Q

P

T

A

N

Y
|
Y

T

A

A

A

N
x
K

A

A

G

G

I

V

N

I

G

G

M

M

T

T

R

K

S

T

L

W

A

A

R

K

E

E

F

L

G

A

P

R

D

K

R

G

I

I

R

N

V

V

N

N

A

A

L

V

A

A

P
|
P

G
|
G

W
x
F

V
x
T

L

E

T
|
T

D
x
A

K
x
M

Q
x
V

L

A

D

E

Q

-

W

-

A

-

T

V

P

P

E

E

A

K

L

V

A

I

A

E

H
x
K

L

M

E

K

R

A

Q

Q

C

V

L

P

K

M

D

G

H

R

L

L

A

G

-

K

P

P

Q

E

D

D

I

I

V

A

G

N

S

A

T

Y

L

L

F

F

L

L

A

A

S

S

A

H

T

E

S

S

R

D

M

Y

V

V

T

N

G

G

Q

H

T

V

L

L

V

H

V

V

D

D

G

G

V

I

V

M

active site: G18 (= G23), N111 (= N119), S139 (= S147), Q149 (≠ Y157), Y152 (= Y160), K156 (≠ N164)
binding acetoacetyl-coenzyme a: T91 (≠ A97), D93 (= D99), K98 (≠ T104), S139 (= S147), T141 (≠ S149), N146 (= N154), V147 (≠ N155), G148 (= G156), Q149 (≠ Y157), Y152 (= Y160), F184 (≠ W192), M189 (≠ K197), K200 (≠ H211)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G19), A16 (≠ G21), N17 (≠ S22), G18 (= G23), I19 (= I24), D38 (≠ G43), F39 (≠ R44), N40 (≠ S45), V59 (≠ C67), D60 (= D68), V61 (≠ I69), N87 (= N95), A88 (= A96), G89 (vs. gap), I90 (vs. gap), V110 (≠ I118), T137 (≠ F145), S138 (≠ T146), S139 (= S147), Y152 (= Y160), K156 (≠ N164), P182 (= P190), G183 (= G191), F184 (≠ W192), T185 (≠ V193), T187 (= T195), A188 (≠ D196), M189 (≠ K197), V190 (≠ Q198)

1vl8B Crystal structure of gluconate 5-dehydrogenase (tm0441) from thermotoga maritima at 2.07 a resolution
29% identity, 95% coverage: 9:251/256 of query aligns to 3:248/252 of 1vl8B

query
sites
1vl8B

D

D

L

L

K

R

G

G

A

R

S

V

V

A

F

L

I

V

T

T

G
|
G

G

G

G
x
S

S
x
R

G
|
G

I
x
L

G

G

A

F

A

G

L

I

S

A

E

Q

G

G

F

L

L

A

R

E

Q

A

G

G

A

C

K

S

V

V

A

V

F

V

V

A

G
x
S

R
|
R

S
x
N

-

L

-

E

D

E

A

A

T

S

D

E

F

A

V

A

E

Q

R

K

M

L

E

T

A

E

E

K

T

Y

G

G

N

V

R

E

P

T

L

M

F

A

I

F

Q

R

C
|
C

D
|
D

I
x
V

T

S

D

N

I

Y

P

E

A

E

L

V

K

K

A

K

A

L

I

L

K

E

Q

A

A

V

A

K

E

E

A

K

H

F

G

G

P

K

I

L

T

D

T

T

L

V

V

V

N

N

N
x
A

A
|
A

A
x
G

N
x
I

D

N

Q

R

R

R

H

H

A

P

T

A

L

E

D

E

V

F

D

P

E

L

E

D

F

E

W

F

D

R

W

Q

A

V

Q

I

A

E

I
x
V

N

N

L

L

K

F

A

G

Y

T

F

Y

A

V

C

C

Q

R

A

E

V

A

L

F

P

S

G

L

M

L

Q

R

A

E

A

S

G

D

G

N

G

P

S

S

I

I

V

I

N

N

F
x
I

T
x
G

S
|
S

I

L

S

T

Y

V

-

E

-

V

M

T

M

M

G

P

N

N

N

-

G

-

Y
x
I

P

S

A

A

Y
|
Y

T

A

A

S

N
x
K

A

G

G

G

I

V

N

A

G

S

M

L

T

T

R

K

S

A

L

L

A

A

R

K

E

E

F

W

G

G

P

R

D

Y

R

G

I

I

R

R

V

V

N

N

A

V

L

I

A

A

P
|
P

G
|
G

W
|
W

V
x
Y

L

R

T
|
T

D
x
K

K
x
M

Q
x
T

L

E

D

A

Q

V

W

F

A

S

T

D

P

P

E

E

A

K

L

L

A

D

A

Y

H

M

L

L

E

K

R

R

Q

I

C

P

L

L

K

G

D

R

H

T

L

G

A

V

P

P

Q

E

D

D

I

L

V

K

G

G

S

V

T

A

L

V

F

F

L

L

A

A

S

S

A

E

T

E

S

A

R

K

M

Y

V

V

T

T

G

G

Q

Q

T

I

L

I

V

F

V

V

D

D

G

G

active site: G17 (= G23), S143 (= S147), I154 (≠ Y157), Y157 (= Y160), K161 (≠ N164)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G19), S15 (≠ G21), R16 (≠ S22), G17 (= G23), L18 (≠ I24), S37 (≠ G43), R38 (= R44), N39 (≠ S45), C63 (= C67), D64 (= D68), V65 (≠ I69), A91 (≠ N95), A92 (= A96), G93 (≠ A97), I94 (≠ N98), V114 (≠ I118), I141 (≠ F145), G142 (≠ T146), S143 (= S147), Y157 (= Y160), K161 (≠ N164), P187 (= P190), G188 (= G191), W189 (= W192), Y190 (≠ V193), T192 (= T195), K193 (≠ D196), M194 (≠ K197), T195 (≠ Q198)

Q5P5I4 (S)-1-Phenylethanol dehydrogenase; EC 1.1.1.311 from Aromatoleum aromaticum (strain EbN1) (Azoarcus sp. (strain EbN1)) (see 2 papers)
36% identity, 95% coverage: 10:253/256 of query aligns to 5:247/249 of Q5P5I4

query
sites
Q5P5I4

L

L

K

K

G

D

A

K

S

L

V

A

F

V

I

I

T

T

G

G

G

A

S
x
N

G
|
G

I
|
I

G

G

A

R

A

A

L

I

S

A

E

E

G

R

F

F

L

A

R

V

Q

E

G

G

A

A

K

D

V

I

A

A

F

I

V

-

G

-

R

-

S

-

D

-

A

-

T

A

D
|
D

F

L

V

V

E

P

R

A

M

P

E

E

A

A

E

E

T

A

-

A

-

I

-

R

-

N

-

L

G

G

N

R

R

R

P

V

L

L

F

T

I

V

Q

K

C
|
C

D
|
D

I
x
V

T

S

D

Q

I

P

P

G

A

D

L

V

K

E

A

A

A

F

I

G

K

K

Q

Q

A

V

A

I

E

S

A

T

H

F

G

G

P

R

I

C

T

D

T

I

L

L

V

V

N

N

N
|
N

A

A

A

G

N

-

D

-

Q

-

R

I

H
x
Y

A

P

T

L

L

I

D

P

V

F

D

D

E

E

-

L

-

T

-

F

E

E

F

Q

W

W

D

K

W

K

A

T

Q

F

A

E

I

I

N

N

L

V

K

D

A

S

Y

G

F

F

F

L

A

M

C

A

Q

K

A

A

V

F

L

V

P

P

G

G

M

M

Q

K

A

R

A

N

G

G

G

W

G

G

S

R

I

I

V

I

N

N

F

L

T

T

S

S

I

T

S

T

Y

Y

M

W

M

L

G

K

N

I

N

E

G

A

Y

Y

P

T

A

H

Y

Y

T

I

T

S

A

T

N
x
K

A

A

G

A

I

N

N

I

G

G

M

F

T

T

R

R

S

A

L

L

A

A

R

S

E

D

F

L

G

G

P

K

D

D

R

G

I

I

R

T

V

V

N

N

A

A

L

I

A

A

P
|
P

G
x
S

W
x
L

V
|
V

L

R

T

T

D

-

K

-

Q

-

L

-

D

-

Q

-

W

-

A

A

T
|
T

P

T

E

E

A

A

L

S

A

A

A

L

H

S

L

A

E

M

R

F

Q

D

C

V

L

L

K

P

D

N

H

M

L

L

-

Q

-

A

-

I

-

P

-

R

-

L

-

Q

A

V

P

P

Q

L

D

D

I

L

V

T

G

G

S

A

T

A

L

A

F

F

L

L

A

A

S

S

A

D

T

D

S

A

R

S

M

F

V

I

T

T

G

G

Q

Q

T

T

L

L

V

A

V

V

D

D

G

G

V

M

V

V

NGI 17:19 (≠ SGI 22:24) binding
D38 (= D49) binding
CDV 61:63 (≠ CDI 67:69) binding
N89 (= N95) binding
Y93 (≠ H102) binding
K158 (≠ N164) binding
PSLV 184:187 (≠ PGWV 190:193) binding
T191 (= T204) binding

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

2ewmB Crystal structure of the (s)-specific 1-phenylethanol dehydrogenase of the denitrifying bacterium strain ebn1 (see paper)
36% identity, 95% coverage: 10:253/256 of query aligns to 3:245/247 of 2ewmB

query
sites
2ewmB

L

L

K

K

G

D

A

K

S

L

V

A

F

V

I

I

T

T

G
|
G

G

G

G

A

S
x
N

G
|
G

I
|
I

G

G

A

R

A

A

L

I

S

A

E

E

G

R

F

F

L

A

R

V

Q

E

G

G

A

A

K

D

V

I

A

A

F

I

V

-

G

-

R

-

S

-

D

-

A

-

T

A

D
|
D

F
x
L

V

V

E

P

R

A

M

P

E

E

A

A

E

E

T

A

-

A

-

I

-

R

-

N

-

L

G

G

N

R

R

R

P

V

L

L

F

T

I

V

Q

K

C
|
C

D
|
D

I
x
V

T

S

D

Q

I

P

P

G

A

D

L

V

K

E

A

A

A

F

I

G

K

K

Q

Q

A

V

A

I

E

S

A

T

H

F

G

G

P

R

I

C

T

D

T

I

L

L

V

V

N

N

N
|
N

A
|
A

A
x
G

N

-

D

-

Q

-

R

I

H
x
Y

A

P

T

L

L

I

D

P

V

F

D

D

E

E

-

L

-

T

-

F

E

E

F

Q

W

W

D

K

W

K

A

T

Q

F

A

E

I
|
I

N

N

L

V

K

D

A

S

Y

G

F

F

F

L

A

M

C

A

Q

K

A

A

V

F

L

V

P

P

G

G

M

M

Q

K

A

R

A

N

G

G

G

W

G

G

S

R

I

I

V

I

N

N

F

L

T
|
T

S
|
S

I

T

S

T

Y

Y

M

W

M

L

G

K

N

I

N

E

G

A

Y
|
Y

P

T

A

H

Y
|
Y

T

I

T

S

A

T

N
x
K

A

A

G

A

I

N

N

I

G

G

M

F

T

T

R

R

S

A

L

L

A

A

R

S

E

D

F

L

G

G

P

K

D

D

R

G

I

I

R

T

V

V

N

N

A

A

L

I

A

A

P
|
P

G
x
S

W
x
L

V
|
V

L

R

T
|
T

D

-

K

-

Q

-

L

-

D

-

Q

-

W

-

A

A

T
|
T

P
x
T

E

E

A

A

L

S

A

A

A

L

H

S

L

A

E

M

R

F

Q

D

C

V

L

L

K

P

D

N

H

M

L

L

-

Q

-

A

-

I

-

P

-

R

-

L

-

Q

A

V

P

P

Q

L

D

D

I

L

V

T

G

G

S

A

T

A

L

A

F

F

L

L

A

A

S

S

A

D

T

D

S

A

R

S

M

F

V

I

T

T

G

G

Q

Q

T

T

L

L

V

A

V

V

D

D

G

G

V

M

V

V

active site: G16 (= G23), S139 (= S147), Y149 (= Y157), Y152 (= Y160), K156 (≠ N164)
binding nicotinamide-adenine-dinucleotide: G12 (= G19), N15 (≠ S22), G16 (= G23), I17 (= I24), D36 (= D49), L37 (≠ F50), C59 (= C67), D60 (= D68), V61 (≠ I69), N87 (= N95), A88 (= A96), G89 (≠ A97), Y91 (≠ H102), I110 (= I118), T138 (= T146), S139 (= S147), Y152 (= Y160), K156 (≠ N164), P182 (= P190), S183 (≠ G191), L184 (≠ W192), V185 (= V193), T187 (= T195), T189 (= T204), T190 (≠ P205)

6t62A Crystal structure of acinetobacter baumannii fabg in complex with NADPH at 1.8 a resolution (see paper)
32% identity, 93% coverage: 16:252/256 of query aligns to 9:241/244 of 6t62A

query
sites
6t62A

F

L

I

V

T

T

G
|
G

G

A

G
x
S

S
x
R

G
|
G

I
|
I

G

G

A

A

L

I

S

A

E

Q

G

Q

F

L

L

I

R

Q

Q

D

G

G

A

Y

K

F

V

V

A

-

F

-

V

V

G

G

R

T

S
x
A

D
x
T

A

S

T

E

D

S

F

G

V

A

E

Q

R

K

M

L

E

T

A

D

E

S

T

F

G

G

N

E

R

Q

P

G

L

A

F

G

I

L

Q

A

C
x
L

D
|
D

I
x
V

T
x
R

D

N

I

L

P

D

A

E

L

I

K

E

A

A

A

V

I

V

K

S

Q

H

A

I

A

E

E

Q

A

N

H

Y

G

G

P

P

I

V

T

L

T

V

L

L

V

V

N

N

N
|
N

A
|
A

A
x
G

N
x
I

D

T

Q

K

R

D

H

N

A

L

T

L

L

L

D

R

V

M

D

S

E

E

E

D

F

D

W

W

D

D

W

D

A

I

Q

L

A

N

I
|
I

N
x
H

L

L

K

K

A

A

Y

V

F

Y

F

R

A

L

C

S

Q

K

A

R

V

V

L

L

P

K

G

G

M

M

Q

T

A

K

A

A

G

R

G

F

G

G

S

R

I

I

V

I

N

N

F
x
I

T
x
S

S
|
S

I

V

S

V

Y

A

M

H

M

F

G

A

N

N

N

P

G

G

Y

Q

P

A

A

N

Y
|
Y

T

S

T

A

A

A

N
x
K

A

A

G

G

I

I

N

E

G

A

M

F

T

S

R

R

S

S

L

L

A

A

R

K

E

E

F

M

G

G

P

S

D

R

R

Q

I

I

R

T

V

V

N

N

A

S

L

V

A

A

P
|
P

G
|
G

W

F

V
x
I

L

A

T
|
T

D

E

K

-

Q

-

L

-

D

-

Q

-

W

-

A

-

T
x
M

P

T

E

D

A

A

L

L

A

S

A

E

H

D

L

I

E

-

R

R

Q

K

C

K

L

M

K

S

D

D

H

Q

L

V

A

A

-

L

-

N

-

R

-

L

-

G

-

E

P

P

Q

Q

D

D

I

I

V

A

G

N

S

A

T

V

L

S

F

F

L

L

A

A

S

S

A

D

T

K

S

A

R

G

M

Y

V

I

T

T

G

G

Q

T

T

V

L

L

V

H

V

V

D

N

G

G

V

L

active site: G16 (= G23), S138 (= S147), Y151 (= Y160)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G19), S14 (≠ G21), R15 (≠ S22), I17 (= I24), A36 (≠ S45), T37 (≠ D46), L58 (≠ C67), D59 (= D68), V60 (≠ I69), R61 (≠ T70), N86 (= N95), A87 (= A96), G88 (≠ A97), I89 (≠ N98), I109 (= I118), H110 (≠ N119), I136 (≠ F145), S137 (≠ T146), S138 (= S147), Y151 (= Y160), K155 (≠ N164), P181 (= P190), G182 (= G191), I184 (≠ V193), T186 (= T195), M188 (≠ T204)

6wprA Crystal structure of a putative 3-oxoacyl-acp reductase (fabg) with NADP(h) from acinetobacter baumannii (see paper)
32% identity, 93% coverage: 16:252/256 of query aligns to 9:241/244 of 6wprA

query
sites
6wprA

F

L

I

V

T

T

G
|
G

G

A

G
x
S

S
x
R

G
|
G

I
|
I

G

G

A

A

L

I

S

A

E

Q

G

Q

F

L

L

I

R

Q

Q

D

G

G

A

Y

K

F

V

V

A

-

F

-

V

V

G

G

R

T

S
x
A

D
x
T

A

S

T

E

D

S

F

G

V

A

E

Q

R

K

M

L

E

T

A

D

E

S

T

F

G

G

N

E

R

Q

P

G

L

A

F

G

I

L

Q

A

C
x
L

D
|
D

I
x
V

T
x
R

D

N

I

L

P

D

A

E

L

I

K

E

A

A

A

V

I

V

K

S

Q

H

A

I

A

E

E

Q

A

N

H

Y

G

G

P

P

I

V

T

L

T

V

L

L

V

V

N

N

N
|
N

A
|
A

A
x
G

N
x
I

D

T

Q

K

R

D

H

N

A

L

T

L

L

L

D

R

V

M

D

S

E

E

E

D

F

D

W

W

D

D

W

D

A

I

Q

L

A

N

I
|
I

N
x
H

L

L

K

K

A

A

Y

V

F

Y

F

R

A

L

C

S

Q

K

A

R

V

V

L

L

P

K

G

G

M

M

Q

T

A

K

A

A

G

R

G

F

G

G

S

R

I

I

V

I

N

N

F
x
I

T
x
S

S
|
S

I

V

S

V

Y

A

M

H

M

F

G

A

N

N

N

P

G

G

Y

Q

P

A

A

N

Y
|
Y

T

S

T

A

A

A

N
x
K

A

A

G

G

I

I

N

E

G

A

M

F

T

S

R

R

S

S

L

L

A

A

R

K

E

E

F

M

G

G

P

S

D

R

R

Q

I

I

R

T

V

V

N

N

A

S

L

V

A

A

P
|
P

G
|
G

W

F

V
x
I

L

A

T
|
T

D

E

K

-

Q

-

L

-

D

-

Q

-

W

-

A

-

T

M

P

T

E

D

A

A

L

L

A

S

A

E

H

D

L

I

E

-

R

R

Q

K

C

K

L

M

K

S

D

D

H

Q

L

V

A

A

-

L

-

N

-

R

-

L

-

G

-

E

P

P

Q

Q

D

D

I

I

V

A

G

N

S

A

T

V

L

S

F

F

L

L

A

A

S

S

A

D

T

K

S

A

R

G

M

Y

V

I

T

T

G

G

Q

T

T

V

L

L

V

H

V

V

D

N

G

G

V

L

active site: G16 (= G23), S138 (= S147), Y151 (= Y160)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G12 (= G19), S14 (≠ G21), R15 (≠ S22), I17 (= I24), A36 (≠ S45), T37 (≠ D46), L58 (≠ C67), D59 (= D68), V60 (≠ I69), R61 (≠ T70), N86 (= N95), A87 (= A96), G88 (≠ A97), I89 (≠ N98), I109 (= I118), H110 (≠ N119), I136 (≠ F145), S137 (≠ T146), S138 (= S147), Y151 (= Y160), K155 (≠ N164), P181 (= P190), G182 (= G191), I184 (≠ V193), T186 (= T195)

4za2D Crystal structure of pectobacterium carotovorum 2-keto-3-deoxy-d- gluconate dehydrogenase complexed with NAD+ (see paper)
32% identity, 95% coverage: 9:251/256 of query aligns to 7:243/247 of 4za2D

query
sites
4za2D

D

D

L

L

K

Q

G

G

A

K

S

V

V

A

F

L

I

I

T

T

G
|
G

G

C

G
x
D

S
x
T

G
|
G

I
x
L

G

G

A

Q

A

G

L

M

S

A

E

I

G

G

F

L

L

A

R

Q

Q

A

G

G

A

C

K

D

V

I

A

V

F

G

V

V

G

N

R
x
I

S

V

D

E

A

P

T

K

D

D

F

T

V

I

E

E

R

K

M

V

E

T

A

A

E

-

T

L

G

G

N

R

R

R

P

F

L

L

F

S

I

L

Q

T

C
x
A

D
|
D

I
x
M

T

S

D

N

I

V

P

S

A

G

L

H

K

A

A

E

A

L

I

V

K

E

Q

K

A

A

A

V

E

A

A

E

H

F

G

G

P

H

I

V

T

D

T

I

L

L

V

V

N

N

N
|
N

A
|
A

A
x
G

N
x
I

D

I

Q

R

R

R

H

E

A

D

T

A

L

I

D

E

V

F

D

S

E

E

E

K

F

N

W

W

D

D

W

D

A

V

Q

M

A

N

I
x
L

N

N

L

I

K

K

A

S

Y

V

F

F

A

M

C

S

Q

Q

A

T

V

V

L

A

P

R

G

Q

M

F

Q

I

A

K

A

Q

G

G

-

K

G

G

S

K

I

I

V

I

N

N

F
x
I

T
x
A

S
|
S

I

M

S

L

Y

S

M

F

M

Q

G

G

N

G

N

I

G

R

Y

V

P

P

A

S

Y
|
Y

T

T

T

A

A

S

N
x
K

A

S

G

A

I

V

N

M

G

G

M

V

T

T

R

R

S

L

L

M

A

A

R

N

E

E

F

W

G

A

P

K

D

H

R

G

I

I

R

N

V

V

N

N

A

A

L

I

A

A

P
|
P

G
|
G

W
x
Y

V
x
M

L

A

T
|
T

D
x
N

K
x
N

Q

-

L

-

D

-

Q

-

W

-

A

-

T
|
T

P

Q

E

E

A

R

L

S

A

K

A

E

H

I

L

L

E

D

R

R

Q

I

C

P

L

A

K

G

D

R

H

W

L

G

A

L

P

P

Q

Q

D

D

I

L

V

M

G

G

S

P

T

S

L

V

F

F

L

L

A

A

S

S

A

S

T

A

S

S

R

D

M

Y

V

I

T

N

G

G

Q

Y

T

T

L

I

V

A

V

V

D

D

G

G

binding nicotinamide-adenine-dinucleotide: G17 (= G19), D19 (≠ G21), T20 (≠ S22), G21 (= G23), L22 (≠ I24), I42 (≠ R44), A64 (≠ C67), D65 (= D68), M66 (≠ I69), N92 (= N95), A93 (= A96), G94 (≠ A97), I95 (≠ N98), L115 (≠ I118), I143 (≠ F145), A144 (≠ T146), S145 (= S147), Y158 (= Y160), K162 (≠ N164), P188 (= P190), G189 (= G191), Y190 (≠ W192), M191 (≠ V193), T193 (= T195), N194 (≠ D196), N195 (≠ K197), T196 (= T204)

5b4tA Crystal structure of d-3-hydroxybutyrate dehydrogenase from alcaligenes faecalis complexed with NAD+ and a substrate d-3- hydroxybutyrate (see paper)
34% identity, 95% coverage: 10:251/256 of query aligns to 2:256/260 of 5b4tA

query
sites
5b4tA

L

L

K

K

G

G

A

K

S

K

V

A

F

V

I

V

T

T

G
|
G

G

S

G
x
T

S
|
S

G
|
G

I
|
I

G

G

A

L

A

A

L

M

S

A

E

T

G

E

F

L

L

A

R

K

Q

A

G

G

A

A

K

D

V

V

A

V

F

I

V
x
N

G
|
G

R
x
F

S

G

D

Q

A

P

T

E

D

D

F

-

V

I

E

E

R

R

-

E

-

R

-

S

-

T

M

L

E

E

A

S

E

K

T

F

G

G

N

V

R

K

P

A

L

Y

F

Y

I

L

Q

N

C
x
A

D
|
D

I
x
L

T

S

D

D

I

A

P

Q

A

A

L

T

K

R

A

D

A

F

I

I

K

A

Q

K

A

A

E

E

A

A

H

L

G

G

P

G

I

L

T

D

T

I

L

L

V

V

N

N

N
|
N

A
|
A

A
x
G

N
x
I

D
x
Q

Q

H

R

T

H

A

A

P

T

I

L

E

D

E

V

F

D

P

E

V

E

D

F

K

W

W

D

N

W

A

A

I

Q

I

A

A

I
x
L

N
|
N

L

L

K

S

A

A

Y

V

F

F

F

H

A

G

C

T

Q

A

A

A

V

A

L

L

P

P

G

I

M

M

Q

Q

A

K

A

Q

G

G

G

W

G

G

S

R

I

I

V

I

N

N

F
x
I

T
x
A

S
|
S

I

A

S
x
H

Y

G

M

L

M

V

G

A

N

S

N

V

G

N

Y
x
K

P

S

A

A

Y
|
Y

T

V

T

A

A

A

N
x
K

A

H

G

G

I

V

N

V

G

G

M

L

T

T

R

K

S

V

L

T

A

A

R

L

E

E

F

N

G

A

P

G

D

K

R

G

I

I

R

T

V

C

N

N

A

A

L

I

A

C

P
|
P

G
|
G

W
|
W

V
|
V

-

R

-
x
T

-
x
P

L
|
L

T
x
V

D

E

K

K

Q
|
Q

L

I

D

E

Q

A

W
x
I

A

S

T

Q

P

Q

-

K

-

G

-

I

-

D

-

I

E

E

A

A

L

A

A

A

A

R

H

E

L

L

-

L

-

A

E

E

R

K

Q

Q

C

P

L

S

K

L

D

Q

H

F

L

V

A

T

P

P

Q

E

D

Q

I

L

V

G

G

G

S

A

T

A

L

V

F

F

L

L

A

S

S

S

A

A

T

A

S

A

R

D

M

Q

V

M

T

T

G

G

Q

T

T

T

L

L

V

S

V

L

D

D

G

G

active site: G15 (= G23), N114 (= N119), S142 (= S147), Y155 (= Y160), K159 (≠ N164), I200 (≠ W202)
binding (3R)-3-hydroxybutanoic acid: Q94 (≠ D99), S142 (= S147), H144 (≠ S149), K152 (≠ Y157), Y155 (= Y160), W187 (= W192), L192 (= L194), Q196 (= Q198)
binding nicotinamide-adenine-dinucleotide: G11 (= G19), T13 (≠ G21), S14 (= S22), G15 (= G23), I16 (= I24), N34 (≠ V42), G35 (= G43), F36 (≠ R44), A62 (≠ C67), D63 (= D68), L64 (≠ I69), N90 (= N95), A91 (= A96), G92 (≠ A97), I93 (≠ N98), L113 (≠ I118), I140 (≠ F145), A141 (≠ T146), S142 (= S147), Y155 (= Y160), K159 (≠ N164), P185 (= P190), G186 (= G191), W187 (= W192), V188 (= V193), T190 (vs. gap), P191 (vs. gap), L192 (= L194), V193 (≠ T195)

Sites not aligning to the query:

binding (3R)-3-hydroxybutanoic acid: 257

3w8dA Crystal structure of d-3-hydroxybutyrate dehydrogenase from alcaligenes faecalis complexed with NAD+ and an inhibitor methylmalonate
34% identity, 95% coverage: 10:251/256 of query aligns to 2:256/260 of 3w8dA

query
sites
3w8dA

L

L

K

K

G

G

A

K

S

K

V

A

F

V

I

V

T

T

G
|
G

G

S

G
x
T

S
|
S

G
|
G

I
|
I

G

G

A

L

A

A

L

M

S

A

E

T

G

E

F

L

L

A

R

K

Q

A

G

G

A

A

K

D

V

V

A

V

F

I

V
x
N

G
|
G

R
x
F

S

G

D

Q

A

P

T

E

D

D

F

-

V

I

E

E

R

R

-

E

-

R

-

S

-

T

M

L

E

E

A

S

E

K

T

F

G

G

N

V

R

K

P

A

L

Y

F

Y

I

L

Q

N

C
x
A

D
|
D

I
x
L

T

S

D

D

I

A

P

Q

A

A

L

T

K

R

A

D

A

F

I

I

K

A

Q

K

A

A

E

E

A

A

H

L

G

G

P

G

I

L

T

D

T

I

L

L

V

V

N

N

N
|
N

A
|
A

A
x
G

N
x
I

D
x
Q

Q

H

R

T

H

A

A

P

T

I

L

E

D

E

V

F

D

P

E

V

E

D

F

K

W

W

D

N

W

A

A

I

Q

I

A

A

I
x
L

N
|
N

L

L

K

S

A

A

Y

V

F

F

F

H

A

G

C

T

Q

A

A

A

V

A

L

L

P

P

G

I

M

M

Q

Q

A

K

A

Q

G

G

G

W

G

G

S

R

I

I

V

I

N

N

F
x
I

T
x
A

S
|
S

I

A

S
x
H

Y

G

M

L

M

V

G

A

N

S

N

V

G

N

Y
x
K

P

S

A

A

Y
|
Y

T

V

T

A

A

A

N
x
K

A

H

G

G

I

V

N

V

G

G

M

L

T

T

R

K

S

V

L

T

A

A

R

L

E

E

F

N

G

A

P

G

D

K

R

G

I

I

R

T

V

C

N

N

A

A

L

I

A

C

P
|
P

G
|
G

W
|
W

V
|
V

-

R

-
x
T

-
x
P

L
|
L

T
x
V

D

E

K

K

Q
|
Q

L

I

D

E

Q

A

W
x
I

A

S

T

Q

P

Q

-

K

-

G

-

I

-

D

-

I

E

E

A

A

L

A

A

A

A

R

H

E

L

L

-

L

-

A

E

E

R

K

Q

Q

C

P

L

S

K

L

D

Q

H

F

L

V

A

T

P

P

Q

E

D

Q

I

L

V

G

G

G

S

A

T

A

L

V

F

F

L

L

A

S

S

S

A

A

T

A

S

A

R

D

M

Q

V

M

T

T

G

G

Q

T

T

T

L

L

V

S

V

L

D

D

G

G

active site: G15 (= G23), N114 (= N119), S142 (= S147), Y155 (= Y160), K159 (≠ N164), I200 (≠ W202)
binding methylmalonic acid: Q94 (≠ D99), S142 (= S147), H144 (≠ S149), K152 (≠ Y157), Y155 (= Y160), W187 (= W192), L192 (= L194), Q196 (= Q198)
binding nicotinamide-adenine-dinucleotide: G11 (= G19), T13 (≠ G21), S14 (= S22), G15 (= G23), I16 (= I24), N34 (≠ V42), G35 (= G43), F36 (≠ R44), A62 (≠ C67), D63 (= D68), L64 (≠ I69), N90 (= N95), A91 (= A96), G92 (≠ A97), I93 (≠ N98), L113 (≠ I118), I140 (≠ F145), A141 (≠ T146), S142 (= S147), Y155 (= Y160), K159 (≠ N164), P185 (= P190), G186 (= G191), W187 (= W192), V188 (= V193), T190 (vs. gap), P191 (vs. gap), L192 (= L194), V193 (≠ T195)

Sites not aligning to the query:

binding methylmalonic acid: 257

3vdrA Crystal structure of d-3-hydroxybutyrate dehydrogenase, prepared in the presence of the substrate d-3-hydroxybutyrate and NAD(+) (see paper)
34% identity, 95% coverage: 10:251/256 of query aligns to 2:256/260 of 3vdrA

query
sites
3vdrA

L

L

K

K

G

G

A

K

S

K

V

A

F

V

I

V

T

T

G
|
G

G

S

G
x
T

S
|
S

G
|
G

I
|
I

G

G

A

L

A

A

L

M

S

A

E

T

G

E

F

L

L

A

R

K

Q

A

G

G

A

A

K

D

V

V

A

V

F

I

V

N

G

G

R
x
F

S

G

D

Q

A

P

T

E

D

D

F

-

V

I

E

E

R

R

-

E

-

R

-

S

-

T

M

L

E

E

A

S

E

K

T

F

G

G

N

V

R

K

P

A

L

Y

F

Y

I

L

Q

N

C

A

D
|
D

I
x
L

T

S

D

D

I

A

P

Q

A

A

L

T

K

R

A

D

A

F

I

I

K

A

Q

K

A

A

E

E

A

A

H

L

G

G

P

G

I

L

T

D

T

I

L

L

V

V

N

N

N
|
N

A
|
A

A
x
G

N

I

D
x
Q

Q

H

R

T

H

A

A

P

T

I

L

E

D

E

V

F

D

P

E

V

E

D

F

K

W

W

D

N

W

A

A

I

Q

I

A

A

I
x
L

N
|
N

L

L

K

S

A

A

Y

V

F

F

F

H

A

G

C

T

Q

A

A

A

V

A

L

L

P

P

G

I

M

M

Q

Q

A

K

A

Q

G

G

G

W

G

G

S

R

I

I

V

I

N

N

F
x
I

T
x
A

S
|
S

I

A

S
x
H

Y

G

M

L

M

V

G

A

N

S

N

V

G

N

Y
x
K

P

S

A

A

Y
|
Y

T

V

T

A

A

A

N
x
K

A

H

G

G

I

V

N

V

G

G

M

L

T

T

R

K

S

V

L

T

A

A

R

L

E

E

F

N

G

A

P

G

D

K

R

G

I

I

R

T

V

C

N

N

A

A

L

I

A

C

P
|
P

G
|
G

W
|
W

V
|
V

-

R

-
x
T

-

P

L
|
L

T
x
V

D

E

K

K

Q
|
Q

L

I

D

E

Q

A

W
x
I

A

S

T

Q

P

Q

-

K

-

G

-

I

-

D

-

I

E

E

A

A

L

A

A

A

A

R

H

E

L

L

-

L

-

A

E

E

R

K

Q

Q

C

P

L

S

K

L

D

Q

H

F

L

V

A

T

P

P

Q

E

D

Q

I

L

V

G

G

G

S

A

T

A

L

V

F

F

L

L

A

S

S

S

A

A

T

A

S

A

R

D

M

Q

V

M

T

T

G

G

Q

T

T

T

L

L

V

S

V

L

D

D

G

G

active site: G15 (= G23), N114 (= N119), S142 (= S147), Y155 (= Y160), K159 (≠ N164), I200 (≠ W202)
binding (3R)-3-hydroxybutanoic acid: Q94 (≠ D99), S142 (= S147), H144 (≠ S149), K152 (≠ Y157), Y155 (= Y160), W187 (= W192), L192 (= L194), Q196 (= Q198)
binding acetoacetic acid: Q94 (≠ D99), S142 (= S147), H144 (≠ S149), K152 (≠ Y157), Y155 (= Y160), G186 (= G191), W187 (= W192), L192 (= L194), Q196 (= Q198)
binding nicotinamide-adenine-dinucleotide: G11 (= G19), T13 (≠ G21), S14 (= S22), G15 (= G23), I16 (= I24), F36 (≠ R44), D63 (= D68), L64 (≠ I69), N90 (= N95), A91 (= A96), G92 (≠ A97), L113 (≠ I118), I140 (≠ F145), A141 (≠ T146), S142 (= S147), Y155 (= Y160), K159 (≠ N164), P185 (= P190), G186 (= G191), W187 (= W192), V188 (= V193), T190 (vs. gap), L192 (= L194), V193 (≠ T195)
binding 1,4-dihydronicotinamide adenine dinucleotide: G11 (= G19), T13 (≠ G21), S14 (= S22), G15 (= G23), I16 (= I24), F36 (≠ R44), D63 (= D68), L64 (≠ I69), N90 (= N95), A91 (= A96), G92 (≠ A97), L113 (≠ I118), I140 (≠ F145), A141 (≠ T146), S142 (= S147), Y155 (= Y160), K159 (≠ N164), P185 (= P190), G186 (= G191), W187 (= W192), V188 (= V193), T190 (vs. gap), L192 (= L194), V193 (≠ T195)

Sites not aligning to the query:

3vdqA Crystal structure of alcaligenes faecalis d-3-hydroxybutyrate dehydrogenase in complex with NAD(+) and acetate (see paper)
34% identity, 95% coverage: 10:251/256 of query aligns to 2:256/260 of 3vdqA

query
sites
3vdqA

L

L

K

K

G

G

A

K

S

K

V

A

F

V

I

V

T

T

G
|
G

G

S

G
x
T

S
|
S

G
|
G

I
|
I

G

G

A

L

A

A

L

M

S

A

E

T

G

E

F

L

L

A

R

K

Q

A

G

G

A

A

K

D

V

V

A

V

F

I

V
x
N

G

G

R
x
F

S

G

D

Q

A

P

T

E

D

D

F

-

V

I

E

E

R

R

-

E

-

R

-

S

-

T

M

L

E

E

A

S

E

K

T

F

G

G

N

V

R

K

P

A

L

Y

F

Y

I

L

Q

N

C
x
A

D
|
D

I
x
L

T
x
S

D

D

I

A

P

Q

A

A

L

T

K

R

A

D

A

F

I

I

K

A

Q

K

A

A

E

E

A

A

H

L

G

G

P

G

I

L

T

D

T

I

L

L

V

V

N

N

N
|
N

A
|
A

A
x
G

N

I

D
x
Q

Q

H

R

T

H

A

A

P

T

I

L

E

D

E

V

F

D

P

E

V

E

D

F

K

W

W

D

N

W

A

A

I

Q

I

A

A

I
x
L

N
|
N

L

L

K

S

A

A

Y

V

F

F

F

H

A

G

C

T

Q

A

A

A

V

A

L

L

P

P

G

I

M

M

Q

Q

A

K

A

Q

G

G

G

W

G

G

S

R

I

I

V

I

N

N

F
x
I

T
x
A

S
|
S

I

A

S
x
H

Y

G

M

L

M

V

G

A

N

S

N

V

G

N

Y
x
K

P

S

A

A

Y
|
Y

T

V

T

A

A

A

N
x
K

A

H

G

G

I

V

N

V

G

G

M

L

T

T

R

K

S

V

L

T

A

A

R

L

E

E

F

N

G

A

P

G

D

K

R

G

I

I

R

T

V

C

N

N

A

A

L

I

A

C

P
|
P

G
|
G

W
|
W

V
|
V

-

R