SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_008511219.1 NCBI__GCF_000182725.1:WP_008511219.1 to proteins with known functional sites using BLASTp with E ≤ 0.001.

Or try Sites on a Tree, PaperBLAST, Conserved Domains, or compare to all protein structures

Found 20 (the maximum) hits to proteins with known functional sites (download)

1vl8B Crystal structure of gluconate 5-dehydrogenase (tm0441) from thermotoga maritima at 2.07 a resolution
36% identity, 97% coverage: 6:246/249 of query aligns to 1:248/252 of 1vl8B

query
sites
1vl8B

L

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G

active site: G17 (= G22), S143 (= S143), I154 (≠ A153), Y157 (= Y156), K161 (= K160)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G18), R16 (≠ S21), G17 (= G22), L18 (= L23), S37 (= S42), R38 (= R43), C63 (≠ A62), D64 (= D63), V65 (= V64), A91 (≠ N90), A92 (= A91), G93 (= G92), I94 (≠ V93), V114 (= V113), I141 (≠ V141), S143 (= S143), Y157 (= Y156), K161 (= K160), P187 (= P186), G188 (= G187), Y190 (≠ F189), T192 (= T191), M194 (≠ I193), T195 (≠ N194)

3lqfA Crystal structure of the short-chain dehydrogenase galactitol- dehydrogenase (gatdh) of rhodobacter sphaeroides in complex with NAD and erythritol (see paper)
38% identity, 98% coverage: 6:249/249 of query aligns to 6:253/254 of 3lqfA

query
sites
3lqfA

L

V

F

F

S

R

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L

R

D

G

G

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G

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active site: G22 (= G22), S144 (= S143), Y159 (= Y156), K163 (= K160)
binding meso-erythritol: N151 (≠ E147), Y159 (= Y156), Y191 (≠ W188), T197 (≠ N194), M200 (≠ Q197)
binding nicotinamide-adenine-dinucleotide: G18 (= G18), S21 (= S21), G22 (= G22), I23 (≠ L23), D42 (≠ S42), R43 (= R43), D66 (= D63), V67 (= V64), S92 (≠ N90), L142 (≠ V141), S144 (= S143), K163 (= K160), P189 (= P186), V192 (≠ F189), T194 (= T191), M196 (≠ I193), T197 (≠ N194)

2wsbA Crystal structure of the short-chain dehydrogenase galactitol- dehydrogenase (gatdh) of rhodobacter sphaeroides in complex with NAD (see paper)
38% identity, 98% coverage: 6:249/249 of query aligns to 6:253/254 of 2wsbA

query
sites
2wsbA

L

V

F

F

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R

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L

R

D

G

G

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C

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active site: G22 (= G22), S144 (= S143), Y159 (= Y156), K163 (= K160)
binding nicotinamide-adenine-dinucleotide: G18 (= G18), S21 (= S21), G22 (= G22), I23 (≠ L23), D42 (≠ S42), R43 (= R43), D66 (= D63), V67 (= V64), S92 (≠ N90), A93 (= A91), L142 (≠ V141), S144 (= S143), Y159 (= Y156), K163 (= K160), P189 (= P186), V192 (≠ F189), T194 (= T191), M196 (≠ I193), T197 (≠ N194)
binding n-propanol: S144 (= S143), M145 (≠ I144), N151 (≠ E147), N151 (≠ E147), Y159 (= Y156), Y159 (= Y156), Y191 (≠ W188)

2wdzA Crystal structure of the short chain dehydrogenase galactitol- dehydrogenase (gatdh) of rhodobacter sphaeroides in complex with NAD+ and 1,2-pentandiol (see paper)
38% identity, 98% coverage: 6:249/249 of query aligns to 6:253/254 of 2wdzA

query
sites
2wdzA

L

V

F

F

S

R

V

L

R

D

G

G

K

A

V

C

I

A

A

A

V

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G

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G

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I

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N

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S

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active site: G22 (= G22), S144 (= S143), Y159 (= Y156), K163 (= K160)
binding (2S)-pentane-1,2-diol: A45 (≠ H45), D49 (≠ S49), R62 (≠ E59), S146 (≠ L145), Y159 (= Y156)
binding nicotinamide-adenine-dinucleotide: G18 (= G18), S21 (= S21), G22 (= G22), I23 (≠ L23), D42 (≠ S42), R43 (= R43), A65 (= A62), D66 (= D63), V67 (= V64), S92 (≠ N90), A93 (= A91), L142 (≠ V141), S144 (= S143), Y159 (= Y156), K163 (= K160), P189 (= P186), V192 (≠ F189), T194 (= T191), M196 (≠ I193), T197 (≠ N194)

C0KTJ6 Galactitol 2-dehydrogenase (L-tagatose-forming); Galactitol dehydrogenase; GDH; GatDH; Galactitol:NAD(+) 5-oxidoreductase; EC 1.1.1.406 from Cereibacter sphaeroides (Rhodobacter sphaeroides) (see paper)
38% identity, 98% coverage: 6:249/249 of query aligns to 6:253/254 of C0KTJ6

query
sites
C0KTJ6

L

V

F

F

S

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V

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D

G

G

K

A

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C

I

A

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M

R

T

A

A

F

A

D

A

E

A

G

E

E

A

S

E

R

A

F

V

G

A

P

P

I

V

S

S

T

I

L

L

F

V

N

N

N

S

A

A

G

G

V

I

A

A

H

R

M

L

A

H

R

D

A

A

L

L

D

E

T

T

T

D

R

D

D

A

M

T

L

W

E

R

H

Q

I

V

F

M

E

A

V

V

N

N

V

V

A

D

G

G

A

M

F

F

F

W

A

A

A

S

Q

R

E

A

V

F

A

G

R

R

R

A

M

M

I

V

A

A

Q

R

G

G

Q

-

G

A

G

G

S

A

I

I

I

V

N

N

V

L

T

G

S

S

I

M

L

S

G

G

-

T

-

I

-

V

E

N

R

R

P

P

Q

Q

K

F

G

-

A

A

A

S

A

S

Y
|
Y

S

M

M

A

S

S

K
|
K

A

G

C

A

V

V

S

H

Q

Q

M

L

T

T

R

R

A

A

L

L

A

A

L

A

E

E

W

W

A

A

A

G

H

R

D

G

I

V

R

R

V

V

N

N

A

A

I

L

S

A

P

P

G

G

W

Y

F
x
V

P
x
A

T
|
T

R

E

I

M

N

T

E

L

E

K

Q

M

L

R

Q

E

G

R

P

P

A

E

-

L

-

F

A

E

G

T

Y

W

L

L

K

D

G

-

R

M

N

T

P

P

M

M

R

G

R

R

L

C

G

G

D

E

P

P

N

S

D

E

L

I

D

A

G

A

V

A

V

A

L

L

L

F

L

L

A

A

S

S

D

P

A

A

S

A

R

S

Y

Y

M

V

T

T

G

G

S

A

I

I

L

L

T

A

V

V

D

D

G

G

G

G

H

Y

Q

T

L

V

SGI 21:23 (≠ SGL 21:23) binding NAD(+)
D42 (≠ S42) binding NAD(+)
DV 66:67 (= DV 63:64) binding NAD(+)
Y159 (= Y156) binding NAD(+)
K163 (= K160) binding NAD(+)
VAT 192:194 (≠ FPT 189:191) binding NAD(+)

Sites not aligning to the query:

254 binding Mg(2+)

Q6WVP7 NADP-dependent (R)-specific alcohol dehydrogenase; (R)-specific ADH; Ketoreductase; KRED; EC 1.1.1.- from Lentilactobacillus kefiri (Lactobacillus kefiri) (see paper)
35% identity, 99% coverage: 1:247/249 of query aligns to 1:249/252 of Q6WVP7

query
sites
Q6WVP7

M

M

T

T

D

D

D

-

Q

-

L

-

F

-

S

R

V

L

R

K

G

G

K

K

V

V

I

A

A

I

V

V

T

T

G

G

G

G

S
x
T

S
x
L

G
|
G

L
x
I

G

G

L

L

R

A

M

I

V

A

H

D

M

K

L

F

A

V

G

E

H

E

G

G

A

A

R

K

V

V

I

V

S

I

I

T

S

G

R
|
R

T

-

H
|
H

A

A

-

D

-

V

G

G

E

E

S

K

L

A

C

A

P

K

S

S

-

I

-

G

G

G

G

T

E

D

V

V

L

I

E

R

-

F

I

V

M

Q

A

H

D
|
D

V
x
A

T

S

R

D

P

E

E

A

E

G

I

W

A

T

R

K

A

L

F

F

D

D

E

T

G

T

E

E

S

E

R

A

F

F

G

G

P

P

I

V

S

T

T

T

L

V

F

V

N

N

N
|
N

A

A

G

G

V

I

A

A

H

V

M

S

A

K

R

S

A

V

L

E

D

D

T

T

T

T

R

T

D

E

M

E

L

W

E

R

H

K

I

L

F

L

E

S

V

V

N

N

V

L

A

D

G

G

A

V

F

F

F

F

A

G

A

T

Q

R

E

L

V

G

A

I

R

Q

R

R

M

M

I

K

A

N

Q

K

G

G

Q

L

G

G

G

A

S

S

I

I

I

I

N

N

V

M

T

S

S

S

I

I

L

E

G

G

E

F

R

V

P

G

Q

D

K

P

G

T

A

L

A

G

A

A

Y
|
Y

S

N

M

A

S

S

K
|
K

A

G

C

A

V

V

S

R

Q

I

M

M

T

S

R

K

A

S

L

A

A

A

L

L

E

D

W

C

A

A

A

L

-

K

-

D

H

Y

D

D

I

V

R

R

V

V

N

N

A

T

I

V

S

H

P

P

G

G

W

Y

F
x
I

P
x
K

T
|
T

R
x
P

I
x
L

N

V

E

D

E

D

Q

L

L

E

Q

G

G

A

P

E

A

E

A

M

G

M

Y

S

L

Q

K

R

G

T

R

K

N

T

P

P

M

M

R

G

R

H

L

I

G

G

D

E

P

P

N

N

D

D

L

I

D

A

G

W

V

I

V

C

L

V

L

Y

L

L

A

A

S

S

D

D

A

E

S

S

R

K

Y

F

M

A

T

T

G

G

S

A

I

E

L

F

T

V

V

V

D

D

G

G

G

G

H

Y

TLGI 16:19 (≠ SSGL 20:23) binding NADP(+)
R-H 39:40 (≠ RTH 43:45) binding NADP(+)
DA 63:64 (≠ DV 63:64) binding NADP(+)
N90 (= N90) binding NADP(+)
Y156 (= Y156) binding NADP(+)
K160 (= K160) binding NADP(+)
IKTPL 191:195 (≠ FPTRI 189:193) binding NADP(+)

Sites not aligning to the query:

252 binding Mg(2+)

4za2D Crystal structure of pectobacterium carotovorum 2-keto-3-deoxy-d- gluconate dehydrogenase complexed with NAD+ (see paper)
34% identity, 96% coverage: 7:246/249 of query aligns to 6:243/247 of 4za2D

query
sites
4za2D

F

F

S

D

V

L

R

Q

G

G

K

K

V

V

I

A

A

L

V

I

T

T

G
|
G

G

C

S
x
D

S

T

G

G

L
|
L

G

G

L

Q

R

G

M

M

V

A

H

I

M

G

L

L

A

A

G

Q

H

A

G

G

A

C

R

D

V

I

I

V

S

G

I

V

S

N

R
x
I

T

V

H

E

A

P

G

K

-

D

-

T

-

I

E

E

S

K

L

V

C

T

P

A

S

L

G

G

G

R

E

R

V

F

L

L

E

S

I

L

M

T

A

A

D
|
D

V
x
M

T

S

R

N

P

V

E

S

E

G

I

H

A

A

R

E

A

L

F

V

D

E

E

K

G

A

E

V

S

A

R

E

F

F

G

G

P

H

I

V

S

D

T

I

L

L

F

V

N

N

N
|
N

A
|
A

G
|
G

V

I

A

I

H

R

M

R

A

E

R

D

A

A

L

I

D

E

T

F

T

S

R

E

D

K

M

N

L

W

E

D

H

D

I

V

F

M

E

N

V
x
L

N

N

V

I

A

K

G

S

A

V

F

F

F

F

A

M

A

S

Q

Q

E

T

V

V

A

A

R

R

R

Q

M

F

I

I

A

K

Q

Q

G

G

Q

K

G

G

G

G

S

K

I

I

I

I

N

N

V
x
I

T

A

S
|
S

I

M

L

L

G

S

E

F

R

Q

P

G

Q

G

K

I

G

R

A

V

A

P

A

S

Y
|
Y

S

T

M

A

S

S

K
|
K

A

S

C

A

V

V

S

M

Q

G

M

V

T

T

R

R

A

L

L

M

A

A

L

N

E

E

W

W

A

A

A

K

H

H

D

G

I

I

R

N

V

V

N

N

A

A

I

I

S

A

P

P

G
|
G

W

Y

F
x
M

P

A

T
|
T

R

N

I
x
N

N

T

E

Q

E

E

Q

R

L

-

Q

-

G

-

P

-

A

-

A

S

G

K

Y

E

L

I

K

L

G

D

R

R

N

I

P

P

M

A

R

G

R

R

L

W

G

G

D

L

P

P

N

Q

D

D

L

L

D

M

G

G

V

P

V

S

L

V

L

F

L

L

A

A

S

S

D

S

A

A

S

S

R

D

Y

Y

M

I

T

N

G

G

S

Y

I

T

L

I

T

A

V

V

D

D

G

G

G

G

binding nicotinamide-adenine-dinucleotide: G17 (= G18), D19 (≠ S20), L22 (= L23), I42 (≠ R43), D65 (= D63), M66 (≠ V64), N92 (= N90), A93 (= A91), G94 (= G92), L115 (≠ V113), I143 (≠ V141), S145 (= S143), Y158 (= Y156), K162 (= K160), G189 (= G187), M191 (≠ F189), T193 (= T191), N195 (≠ I193)

7ejhA Crystal structure of kred mutant-f147l/l153q/y190p/l199a/m205f/m206f and 2-hydroxyisoindoline-1,3-dione complex
35% identity, 99% coverage: 1:247/249 of query aligns to 2:250/253 of 7ejhA

query
sites
7ejhA

M

M

T

T

D

D

D

-

Q

-

L

-

F

-

S

R

V

L

R

K

G

G

K

K

V

V

I

A

A

I

V

V

T

T

G
|
G

G

G

S
x
T

S

L

G

G

L
x
I

G

G

L

L

R

A

M

I

V

A

H

D

M

K

L

F

A

V

G

E

H

E

G

G

A

A

R

K

V

V

I

V

S

I

I

T

S

G

R
|
R

T

-

H
|
H

A

A

-

D

-

V

G

G

E

E

S

K

L

A

C

A

P

K

S

S

-

I

-

G

G

G

G

T

E

D

V

V

L

I

E

R

-

F

I

V

M

Q

A

H

D
|
D

V
x
A

T

S

R

D

P

E

E

A

E

G

I

W

A

T

R

K

A

L

F

F

D

D

E

T

G

T

E

E

S

E

R

A

F

F

G

G

P

P

I

V

S

T

T

T

L

V

F

V

N

N

N
|
N

A
|
A

G

G

V

I

A

A

H

V

M

S

A

K

R

S

A

V

L

E

D

D

T

T

T

T

R

T

D

E

M

E

L

W

E

R

H

K

I

L

F

L

E

S

V
|
V

N

N

V

L

A

D

G

G

A

V

F

F

F

F

A

G

A

T

Q

R

E

L

V

G

A

I

R

Q

R

R

M

M

I

K

A

N

Q

K

G

G

Q

L

G

G

G

A

S

S

I

I

I

I

N

N

V
x
M

T

S

S
|
S

I
|
I

L
x
E

G

G

E

L

R

V

P

G

Q

D

K

P

G

T

A

Q

A

G

A

A

Y
|
Y

S

N

M

A

S

S

K
|
K

A

G

C

A

V

V

S

R

Q

I

M

M

T

S

R

K

A

S

L

A

A

A

L

L

E

D

W

C

A

A

-

L

-

K

A

D

H

Y

D

D

I

V

R

R

V

V

N

N

A

T

I

V

S

H

P
|
P

G
|
G

W
x
P

F
x
I

P

K

T
|
T

R
x
P

I
x
L

N
x
V

E

D

E

D

Q

A

L

E

Q

G

G

A

P

E

A

E

A

F

G
x
F

Y

S

L

Q

K

R

G

T

R

K

N

T

P

P

M

M

R

G

R

H

L

I

G

G

D

E

P

P

N

N

D

D

L

I

D

A

G

W

V

I

V

C

L

V

L

Y

L

L

A

A

S

S

D

D

A

E

S

S

R

K

Y

F

M

A

T

T

G

G

S

A

I

E

L

F

T

V

V

V

D

D

G

G

G

G

H

Y

binding 2-oxidanylisoindole-1,3-dione: S144 (= S143), I145 (= I144), E146 (≠ L145), Y157 (= Y156), V197 (≠ N194), F207 (≠ G204)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G18), T17 (≠ S20), I20 (≠ L23), R40 (= R43), H41 (= H45), D64 (= D63), A65 (≠ V64), N91 (= N90), A92 (= A91), V114 (= V113), M142 (≠ V141), S144 (= S143), Y157 (= Y156), K161 (= K160), P189 (= P186), G190 (= G187), P191 (≠ W188), I192 (≠ F189), T194 (= T191), P195 (≠ R192), L196 (≠ I193)

1zk1A Structure of r-specific alcohol dehydrogenase (mutant g37d) from lactobacillus brevis in complex with phenylethanol and NAD (see paper)
35% identity, 95% coverage: 11:247/249 of query aligns to 6:248/251 of 1zk1A

query
sites
1zk1A

G

G

K

K

V

V

I

A

A

I

V

I

T

T

G
|
G

G

G

S

T

S
x
L

G
|
G

L
x
I

G

G

L

L

R

A

M

I

V

A

H

T

M

K

L

F

A

V

G

E

H

E

G

G

A

A

R

K

V

V

I

M

S

I

I

T

S
x
D

R

R

-

H

T

S

H

D

A

V

G

G

E

E

S

K

L

A

C

A

P

K

S

S

G

V

G

G

-

T

-

P

-

D

E

Q

V

I

L

Q

E

F

I

F

M

Q

A
x
H

D
|
D

V
x
S

T

S

R

D

P

E

E

D

E

G

I

W

A

T

R

K

A

L

F

F

D

D

E

A

G

T

E

E

S

K

R

A

F

F

G

G

P

P

I

V

S

S

T

T

L

L

F

V

N

N

N
|
N

A
|
A

G

G

V
x
I

A
|
A

H

V

M
x
N

A

K

R

S

A

V

L

E

D

E

T

T

T

T

R

T

D

A

M

E

L

W

E

R

H

K

I

L

F

L

E

A

V

V

N

N

V

L

A

D

G

G

A

V

F

F

F

F

A

G

A

T

Q

R

E

L

V

G

A

I

R

Q

R

R

M

M

I

K

A

N

Q

K

G

G

Q

L

G

G

G

A

S

S

I

I

I

I

N

N

V
x
M

T

S

S
|
S

I

I

L

E

G

G

E

F

R

V

P

G

Q

D

K

P

G

S

A

L

A

G

A

A

Y
|
Y

S

N

M

A

S

S

K
|
K

A

G

C

A

V

V

S

R

Q

I

M

M

T

S

R

K

A

S

L

A

A

A

L

L

E

D

W

C

A

A

A

L

-

K

-

D

H

Y

D

D

I

V

R

R

V

V

N

N

A

T

I

V

S

H

P

P

G
|
G

W
x
Y

F
x
I

P

K

T

T

R

P

I
x
L

N

V

E

D

E

D

Q

L

L

P

Q

G

G

A

P

E

A

E

A

A

G

M

Y

S

L

Q

K

R

G

T

R

K

N

T

P

P

M

M

R

G

R

H

L

I

G

G

D

E

P

P

N

N

D

D

L

I

D

A

G

Y

V

I

V

C

L

V

L

Y

L

L

A

A

S

S

D

N

A

E

S

S

R

K

Y

F

M

A

T

T

G

G

S

S

I

E

L

F

T

V

V

V

D

D

G

G

G

G

H

Y

active site: G17 (= G22), S142 (= S143), Y155 (= Y156), K159 (= K160)
binding 1-phenylethanone: A93 (= A94), N95 (≠ M96), Y155 (= Y156), Y189 (≠ W188)
binding nicotinamide-adenine-dinucleotide: G13 (= G18), L16 (≠ S21), I18 (≠ L23), D37 (≠ S42), H61 (≠ A62), D62 (= D63), S63 (≠ V64), N89 (= N90), A90 (= A91), I92 (≠ V93), M140 (≠ V141), Y155 (= Y156), G188 (= G187), I190 (≠ F189), L194 (≠ I193)

1zjzA Structure of r-specific alcohol dehydrogenase (mutant g37d) from lactobacillus brevis in complex with phenylethanol and NAD (see paper)
35% identity, 95% coverage: 11:247/249 of query aligns to 6:248/251 of 1zjzA

query
sites
1zjzA

G

G

K

K

V

V

I

A

A

I

V

I

T

T

G
|
G

G

G

S

T

S
x
L

G
|
G

L
x
I

G

G

L

L

R

A

M

I

V

A

H

T

M

K

L

F

A

V

G

E

H

E

G

G

A

A

R

K

V

V

I

M

S

I

I

T

S
x
D

R

R

-

H

T

S

H

D

A

V

G

G

E

E

S

K

L

A

C

A

P

K

S

S

G

V

G

G

-

T

-

P

-

D

E

Q

V

I

L

Q

E

F

I

F

M

Q

A

H

D
|
D

V

S

T

S

R

D

P

E

E

D

E

G

I

W

A

T

R

K

A

L

F

F

D

D

E

A

G

T

E

E

S

K

R

A

F

F

G

G

P

P

I

V

S

S

T

T

L

L

F

V

N

N

N
|
N

A
|
A

G
|
G

V
x
I

A
|
A

H

V

M
x
N

A

K

R

S

A

V

L

E

D

E

T

T

T

T

R

T

D

A

M

E

L

W

E

R

H

K

I

L

F

L

E

A

V

V

N

N

V

L

A

D

G

G

A

V

F

F

F

F

A

G

A

T

Q

R

E

L

V

G

A

I

R

Q

R

R

M

M

I

K

A

N

Q

K

G

G

Q

L

G

G

G

A

S

S

I

I

I

I

N

N

V

M

T

S

S
|
S

I

I

L

E

G

G

E

F

R

V

P

G

Q

D

K

P

G

S

A
x
L

A

G

A

A

Y
|
Y

S

N

M

A

S

S

K
|
K

A

G

C

A

V

V

S

R

Q

I

M

M

T

S

R

K

A

S

L

A

A

A

L

L

E

D

W

C

A

A

A

L

-

K

-

D

H

Y

D

D

I

V

R

R

V

V

N

N

A

T

I

V

S

H

P

P

G
|
G

W

Y

F
x
I

P

K

T

T

R

P

I
x
L

N

V

E

D

E

D

Q

L

L

P

Q

G

G

A

P

E

A

E

A

A

G

M

Y

S

L

Q

K

R

G

T

R

K

N

T

P

P

M

M

R

G

R

H

L

I

G

G

D

E

P

P

N

N

D

D

L

I

D

A

G

Y

V

I

V

C

L

V

L

Y

L

L

A

A

S

S

D

N

A

E

S

S

R

K

Y

F

M

A

T

T

G

G

S

S

I

E

L

F

T

V

V

V

D

D

G

G

G

G

H

Y

active site: G17 (= G22), S142 (= S143), Y155 (= Y156), K159 (= K160)
binding nicotinamide-adenine-dinucleotide: G13 (= G18), L16 (≠ S21), I18 (≠ L23), D37 (≠ S42), D62 (= D63), N89 (= N90), A90 (= A91), G91 (= G92), I92 (≠ V93), Y155 (= Y156), G188 (= G187), I190 (≠ F189), L194 (≠ I193)
binding (1r)-1-phenylethanol: A93 (= A94), N95 (≠ M96), L152 (≠ A153), Y155 (= Y156)

1zjyA Structure of r-specific alcohol dehydrogenase (mutant g37d) from lactobacillus brevis in complex with phenylethanol and nadh (see paper)
35% identity, 95% coverage: 11:247/249 of query aligns to 6:248/251 of 1zjyA

query
sites
1zjyA

G

G

K

K

V

V

I

A

A

I

V

I

T

T

G
|
G

G

G

S

T

S
x
L

G
|
G

L
x
I

G

G

L

L

R

A

M

I

V

A

H

T

M

K

L

F

A

V

G

E

H

E

G

G

A

A

R

K

V

V

I

M

S

I

I

T

S
x
D

R

R

-

H

T

S

H

D

A

V

G

G

E

E

S

K

L

A

C

A

P

K

S

S

G

V

G

G

-

T

-

P

-

D

E

Q

V

I

L

Q

E

F

I

F

M

Q

A

H

D
|
D

V

S

T

S

R

D

P

E

E

D

E

G

I

W

A

T

R

K

A

L

F

F

D

D

E

A

G

T

E

E

S

K

R

A

F

F

G

G

P

P

I

V

S

S

T

T

L

L

F

V

N

N

N
|
N

A
|
A

G
|
G

V
x
I

A
|
A

H

V

M
x
N

A

K

R

S

A

V

L

E

D

E

T

T

T

T

R

T

D

A

M

E

L

W

E

R

H

K

I

L

F

L

E

A

V

V

N

N

V

L

A

D

G

G

A

V

F

F

F

F

A

G

A

T

Q

R

E

L

V

G

A

I

R

Q

R

R

M

M

I

K

A

N

Q

K

G

G

Q

L

G

G

G

A

S

S

I

I

I

I

N

N

V

M

T

S

S
|
S

I

I

L

E

G

G

E

F

R

V

P

G

Q

D

K

P

G

S

A
x
L

A

G

A

A

Y
|
Y

S

N

M

A

S

S

K
|
K

A

G

C

A

V

V

S

R

Q

I

M

M

T

S

R

K

A

S

L

A

A

A

L

L

E

D

W

C

A

A

A

L

-

K

-

D

H

Y

D

D

I

V

R

R

V

V

N

N

A

T

I

V

S

H

P

P

G
|
G

W
x
Y

F
x
I

P

K

T

T

R

P

I
x
L

N

V

E

D

E

D

Q

L

L

P

Q

G

G

A

P

E

A

E

A

A

G

M

Y

S

L

Q

K

R

G

T

R

K

N

T

P

P

M

M

R

G

R

H

L

I

G

G

D

E

P

P

N

N

D

D

L

I

D

A

G

Y

V

I

V

C

L

V

L

Y

L

L

A

A

S

S

D

N

A

E

S

S

R

K

Y

F

M

A

T

T

G

G

S

S

I

E

L

F

T

V

V

V

D

D

G

G

G

G

H

Y

active site: G17 (= G22), S142 (= S143), Y155 (= Y156), K159 (= K160)
binding 1,4-dihydronicotinamide adenine dinucleotide: G13 (= G18), L16 (≠ S21), G17 (= G22), I18 (≠ L23), D37 (≠ S42), D62 (= D63), N89 (= N90), A90 (= A91), G91 (= G92), I92 (≠ V93), Y155 (= Y156), G188 (= G187), I190 (≠ F189), L194 (≠ I193)
binding (1r)-1-phenylethanol: A93 (= A94), N95 (≠ M96), L152 (≠ A153), Y155 (= Y156), Y189 (≠ W188)

7ejiB Crystal structure of kred f147l/l153q/y190p/l199a/m205f/m206f variant and methyl methacrylate complex
35% identity, 96% coverage: 9:247/249 of query aligns to 4:248/251 of 7ejiB

query
sites
7ejiB

V

L

R

K

G

G

K

K

V

V

I

A

A

I

V

V

T

T

G
|
G

G

G

S
x
T

S
x
L

G
|
G

L
x
I

G

G

L

L

R

A

M

I

V

A

H

D

M

K

L

F

A

V

G

E

H

E

G

G

A

A

R

K

V

V

I

V

S

I

I

T

S

G

R
|
R

T

-

H
|
H

A

A

-

D

-

V

G

G

E

E

S

K

L

A

C

A

P

K

S

S

-

I

-

G

G

G

G

T

E

D

V

V

L

I

E

R

-

F

I

V

M

Q

A

H

D
|
D

V
x
A

T

S

R

D

P

E

E

A

E

G

I

W

A

T

R

K

A

L

F

F

D

D

E

T

G

T

E

E

S

E

R

A

F

F

G

G

P

P

I

V

S

T

T

T

L

V

F

V

N

N

N
|
N

A
|
A

G

G

V

I

A

A

H

V

M

S

A

K

R

S

A

V

L

E

D

D

T

T

T

T

R

T

D

E

M

E

L

W

E

R

H

K

I

L

F

L

E

S

V
|
V

N

N

V

L

A

D

G

G

A

V

F

F

F

F

A

G

A

T

Q

R

E

L

V

G

A

I

R

Q

R

R

M

M

I

K

A

N

Q

K

G

G

Q

L

G

G

G

A

S

S

I

I

I

I

N

N

V
x
M

T

S

S
|
S

I
|
I

L

E

G

G

E

L

R

V

P

G

Q

D

K

P

G

T

A

Q

A

G

A

A

Y
|
Y

S

N

M

A

S

S

K
|
K

A

G

C

A

V

V

S

R

Q

I

M

M

T

S

R

K

A

S

L

A

A

A

L

L

E

D

W

C

A

A

-

L

-

K

A

D

H

Y

D

D

I

V

R

R

V

V

N

N

A

T

I

V

S

H

P
|
P

G

G

W
x
P

F
x
I

P

K

T
|
T

R
x
P

I
x
L

N

V

E

D

E

D

Q

A

L

E

Q

G

G

A

P

E

A

E

A

F

G
x
F

Y

S

L

Q

K

R

G

T

R

K

N

T

P

P

M

M

R

G

R

H

L

I

G

G

D

E

P

P

N

N

D

D

L

I

D

A

G

W

V

I

V

C

L

V

L

Y

L

L

A

A

S

S

D

D

A

E

S

S

R

K

Y

F

M

A

T

T

G

G

S

A

I

E

L

F

T

V

V

V

D

D

G

G

G

G

H

Y

binding methyl 2-methylprop-2-enoate: S142 (= S143), I143 (= I144), Y155 (= Y156), F205 (≠ G204)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G18), T15 (≠ S20), L16 (≠ S21), G17 (= G22), I18 (≠ L23), R38 (= R43), H39 (= H45), D62 (= D63), A63 (≠ V64), N89 (= N90), A90 (= A91), V112 (= V113), M140 (≠ V141), S142 (= S143), Y155 (= Y156), K159 (= K160), P187 (= P186), P189 (≠ W188), I190 (≠ F189), T192 (= T191), P193 (≠ R192), L194 (≠ I193)

1zk4A Structure of r-specific alcohol dehydrogenase (wildtype) from lactobacillus brevis in complex with acetophenone and NADP (see paper)
35% identity, 95% coverage: 11:247/249 of query aligns to 6:248/251 of 1zk4A

query
sites
1zk4A

G

G

K

K

V

V

I

A

A

I

V

I

T

T

G
|
G

G

G

S
x
T

S
x
L

G
|
G

L
x
I

G

G

L

L

R

A

M

I

V

A

H

T

M

K

L

F

A

V

G

E

H

E

G

G

A

A

R

K

V

V

I

M

S

I

I
x
T

S
x
G

R
|
R

-

H

T

S

H

D

A

V

G

G

E

E

S

K

L

A

C

A

P

K

S

S

G

V

G

G

-

T

-

P

-

D

E

Q

V

I

L

Q

E

F

I

F

M

Q

A
x
H

D
|
D

V

S

T

S

R

D

P

E

E

D

E

G

I

W

A

T

R

K

A

L

F

F

D

D

E

A

G

T

E

E

S

K

R

A

F

F

G

G

P

P

I

V

S

S

T

T

L

L

F

V

N

N

N
|
N

A
|
A

G
|
G

V
x
I

A
|
A

H

V

M

N

A

K

R

S

A

V

L

E

D

E

T

T

T

T

R

T

D

A

M

E

L

W

E

R

H

K

I

L

F

L

E

A

V

V

N

N

V

L

A

D

G

G

A

V

F

F

F

F

A

G

A

T

Q

R

E

L

V

G

A

I

R

Q

R

R

M

M

I

K

A

N

Q

K

G

G

Q

L

G

G

G

A

S

S

I

I

I

I

N

N

V

M

T

S

S
|
S

I

I

L

E

G

G

E

F

R

V

P

G

Q

D

K

P

G

S

A

L

A

G

A

A

Y
|
Y

S

N

M

A

S

S

K
|
K

A

G

C

A

V

V

S

R

Q

I

M

M

T

S

R

K

A

S

L

A

A

A

L

L

E

D

W

C

A

A

A

L

-

K

-

D

H

Y

D

D

I

V

R

R

V

V

N

N

A

T

I

V

S

H

P

P

G
|
G

W
x
Y

F
x
I

P

K

T
|
T

R

P

I
x
L

N

V

E

D

E

D

Q

L

L

P

Q

G

G

A

P

E

A

E

A

A

G

M

Y

S

L

Q

K

R

G

T

R

K

N

T

P

P

M

M

R

G

R

H

L

I

G

G

D

E

P

P

N

N

D

D

L

I

D

A

G

Y

V

I

V

C

L

V

L

Y

L

L

A

A

S

S

D

N

A

E

S

S

R

K

Y

F

M

A

T

T

G

G

S

S

I

E

L

F

T

V

V

V

D

D

G

G

G

G

H

Y

active site: G17 (= G22), S142 (= S143), Y155 (= Y156), K159 (= K160)
binding 1-phenylethanone: A93 (= A94), Y155 (= Y156), Y189 (≠ W188)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G18), T15 (≠ S20), L16 (≠ S21), I18 (≠ L23), T36 (≠ I41), G37 (≠ S42), R38 (= R43), H61 (≠ A62), D62 (= D63), N89 (= N90), A90 (= A91), G91 (= G92), I92 (≠ V93), Y155 (= Y156), G188 (= G187), I190 (≠ F189), T192 (= T191), L194 (≠ I193)

6y0sAAA R-specific alcohol dehydrogenase (see paper)
34% identity, 95% coverage: 11:247/249 of query aligns to 6:248/251 of 6y0sAAA

query
sites
6y0sAAA

G

G

K

K

V

V

I

A

A

I

V

I

T

T

G

G

G

G

S
x
T

S

L

G
|
G

L

I

G

G

L

L

R

A

M

I

V

A

H

T

M

K

L

F

A

V

G

E

H

E

G

G

A

A

R

K

V

V

I

M

S

I

I

T

S
x
G

R

R

-
x
H

T

S

H

D

A
x
V

G

G

E

E

S

K

L

A

C

A

P

K

S

S

G

V

G

G

-

T

-

P

-

D

E

Q

V

I

L

Q

E

F

I

F

M

Q

A

H

D

D

V

S

T

S

R

D

P

E

E

D

E

G

I

W

A

T

R

K

A

L

F

F

D

D

E

A

G

T

E

E

S

K

R

A

F

F

G

G

P

P

I

V

S

S

T

T

L

L

F

V

N

N

N

N

A

A

G

G

V

I

A

A

H

V

M

N

A

K

R

S

A

V

L

E

D

E

T

T

T

E

R

T

D

A

M

E

L

W

E

R

H

K

I

L

F

L

E

A

V

V

N

N

V

L

A

D

G

G

A

V

F

F

F

F

A

G

A

T

Q

R

E

L

V

G

A

I

R

Q

R

R

M

M

I

K

A

N

Q

K

G

G

Q

L

G
|
G

G
x
A

S

S

I

I

I

I

N

N

V

M

T

S

S
|
S

I

I

L

E

G

G

E

F

R

V

P

G

Q

D

K

P

G

S

A

L

A

G

A

A

Y
|
Y

S

N

M

A

S

S

K

K

A

G

C

A

V

V

S

R

Q

I

M

M

T

S

R

K

A

S

L

A

A

A

L

L

E

D

W

C

A

A

A

L

-

K

-

D

H

Y

D
|
D

I

V

R
|
R

V

V

N

N

A

T

I

V

S

H

P

P

G

G

W

Y

F

I

P

K

T

T

R

P

I

L

N

V

E

D

E

D

Q

L

L

P

Q

G

G

A

P

E

A

E

A

A

G

M

Y

S

L

Q

K

R

G

T

R

K

N

T

P

P

M

M

R

G

R

H

L

I

G

G

D

E

P

P

N

N

D

D

L

I

D

A

G

Y

V

I

V

C

L

V

L

Y

L

L

A

A

S

S

D

N

A

E

S

S

R

K

Y

F

M

A

T

T

G

G

S

S

I

E

L

F

T

V

V

V

D

D

G

G

G

G

H

Y

active site: G17 (= G22), S142 (= S143), Y155 (= Y156)
binding magnesium ion: T15 (≠ S20), G37 (≠ S42), H39 (vs. gap), V42 (≠ A46), G134 (= G135), A135 (≠ G136), D179 (= D178), R181 (= R180)

5itvA Crystal structure of bacillus subtilis bacc dihydroanticapsin 7- dehydrogenase in complex with nadh (see paper)
32% identity, 97% coverage: 6:247/249 of query aligns to 2:252/255 of 5itvA

query
sites
5itvA

L

I

F

M

S

N

V

L

R

T

G

D

K

K

V

T

I

V

A

L

V

I

T

T

G
|
G

G

G

S

A

S
|
S

G
|
G

L
x
I

G

G

L

Y

R

A

M

A

V

V

H

Q

M

A

L

F

A

L

G

G

H

Q

G

Q

A

A

R

N

V

V

I

V

S

V

I

A

S
x
D

R
x
I

T

D

H

E

A

A

-

Q

G

G

E

E

S

A

L

M

C

V

-

R

-

K

P

E

S

N

G

N

G

D

E

R

V

L

L

H

E

F

I

V

M

Q

A
x
T

D

D

V
x
I

T

T

R

D

P

E

E

A

E

A

I

C

A

Q

R

H

A

A

F

V

D

E

E

S

G

A

E

V

S

H

R

T

F

F

G

G

P

G

I

L

S

D

T

V

L

L

F

I

N

N

N
|
N

A

A

G
|
G

V

I

A

E

H

I

M

V

A

A

R

P

A

I

L

H

D

E

T

M

T

E

R

L

D

S

M

D

L

W

E

N

H

K

I

V

F

L

E

Q

V

V

N

N

V

L

A

T

G

G

A

M

F

F

F

L

A

M

A

S

Q

K

E

H

V

A

A

L

R

K

R

H

M

M

I

L

A

A

Q

A

G

G

Q

K

G

G

G

-

S

N

I

I

I

I

N

N

V
x
T

T

C

S
|
S

I

V

L

G

G

G

E

L

R

V

P

A

Q

W

K

P

G

D

A

I

A

P

A

A

Y
|
Y

S

N

M

A

S

S

K
|
K

A

G

C

G

V

V

S

L

Q

Q

M

L

T

T

R

K

A

S

L

M

A

A

L

V

E

D

W

Y

A

A

A

K

H

H

D

Q

I

I

R

R

V

V

N

N

A

C

I

V

S

C

P
|
P

G
|
G

W
x
I

F
x
I

P

D

T

T

R

P

I

L

N

N

E

E

E

K

Q

S

L

F

Q

L

G

E

P

N

A

N

A

E

G

G

Y

T

L

L

K

E

-

E

-

I

-

K

-

K

-

E

-

K

-

A

G

K

R

V

N

N

P

P

M

L

R

L

R

R

L

L

G

G

D

K

P

P

N

E

D

E

L

I

D

A

G

N

V

V

V

M

L

L

L

F

L

L

A

A

S

S

D

D

A

L

S

S

R

S

Y

Y

M

M

T

T

G

G

S

S

I

A

L

I

T

T

V

A

D

D

G

G

G

G

H

Y

active site: G18 (= G22), S141 (= S143), Y154 (= Y156), K158 (= K160)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G18), S17 (= S21), G18 (= G22), I19 (≠ L23), D38 (≠ S42), I39 (≠ R43), T61 (≠ A62), I63 (≠ V64), N89 (= N90), G91 (= G92), T139 (≠ V141), S141 (= S143), Y154 (= Y156), K158 (= K160), P184 (= P186), G185 (= G187), I186 (≠ W188), I187 (≠ F189)

4nbuB Crystal structure of fabg from bacillus sp (see paper)
35% identity, 96% coverage: 9:246/249 of query aligns to 5:241/244 of 4nbuB

query
sites
4nbuB

V

L

R

Q

G

D

K

K

V

V

I

A

A

I

V

I

T

T

G
|
G

G

A

S

A

S
x
N

G
|
G

L
x
I

G

G

L

L

R

E

M

A

V

A

H

R

M

V

L

F

A

M

G

K

H

E

G

G

A

A

R

K

V

V

-

V

I

I

S

A

I
x
D

S
x
F

R

N

T

E

H

A

A

A

G

G

E

K

S

E

L

A

C

V

P

E

S

A

G

N

G

P

E

G

V

V

L

V

E

F

I

I

M

R

A
x
V

D
|
D

V
|
V

T

S

R

D

P

R

E

E

E

S

I

V

A

H

R

R

A

L

F

V

D

E

E

N

G

V

E

A

S

E

R

R

F

F

G

G

P

K

I

I

S

D

T

I

L

L

F

I

N

N

N
|
N

A
|
A

G
|
G

V
x
I

A

T

H

R

M
x
D

A

S

R

M

A

L

L

S

D
x
K

T

M

T

T

R

V

D

D

M

Q

L

F

E

Q

H

Q

I

V

F

I

E

N

V

V

N
|
N

V

L

A

T

G

G

A

V

F

F

F

H

A

C

A

T

Q

Q

E

A

V

V

A

L

R

P

R

Y

M

M

I

A

A

E

Q

Q

G

G

Q

K

G

-

G

G

S

K

I

I

I

I

N

N

V
x
T

T

S

S
|
S

I

V

L

T

G

G

E

T

R

Y

P

G

Q
x
N

K
x
V

G

G

A
x
Q

A

T

A

N

Y
|
Y

S

A

M

A

S

A

K
|
K

A

A

C

G

V

V

S

I

Q

G

M

M

T

T

R

K

A

T

L

W

A

A

L

K

E

E

W

L

A

A

A

R

H

K

D

G

I

I

R

N

V

V

N

N

A

A

I

V

S

A

P
|
P

G

G

W
x
F

F
x
T

P

E

T
|
T

R

A

I
x
M

N

V

E

A

E

E

Q

-

L

V

Q

P

G

E

P

K

A

V

A

I

G

E

Y
x
K

L

M

K

K

G

A

R

Q

N

V

P

P

M

M

R

G

R

R

L

L

G

G

D

K

P

P

N

E

D

D

L

I

D

A

G

N

V

A

V

Y

L

L

L

F

L

L

A

A

S

S

D

H

A

E

S

S

R

D

Y

Y

M

V

T

N

G

G

S

H

I

V

L

L

T

H

V

V

D

D

G

G

G

G

active site: G18 (= G22), N111 (= N114), S139 (= S143), Q149 (≠ A153), Y152 (= Y156), K156 (= K160)
binding acetoacetyl-coenzyme a: D93 (≠ M96), K98 (≠ D101), S139 (= S143), N146 (≠ Q150), V147 (≠ K151), Q149 (≠ A153), Y152 (= Y156), F184 (≠ W188), M189 (≠ I193), K200 (≠ Y205)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G18), N17 (≠ S21), G18 (= G22), I19 (≠ L23), D38 (≠ I41), F39 (≠ S42), V59 (≠ A62), D60 (= D63), V61 (= V64), N87 (= N90), A88 (= A91), G89 (= G92), I90 (≠ V93), T137 (≠ V141), S139 (= S143), Y152 (= Y156), K156 (= K160), P182 (= P186), F184 (≠ W188), T185 (≠ F189), T187 (= T191), M189 (≠ I193)

7v0hG Crystal structure of putative glucose 1-dehydrogenase from burkholderia cenocepacia in complex with NADP and a potential reaction product
33% identity, 97% coverage: 5:246/249 of query aligns to 5:251/253 of 7v0hG

query
sites
7v0hG

Q

H

L

M

F

S

S

K

V

L

R

A

G

G

K

K

V

V

I

A

A

I

V

V

T

T