SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_018371259.1 NCBI__GCF_000341525.1:WP_018371259.1 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)

Q9P7B4 NADP-dependent 3-hydroxy acid dehydrogenase; L-allo-threonine dehydrogenase; EC 1.1.1.381 from Schizosaccharomyces pombe (strain 972 / ATCC 24843) (Fission yeast) (see paper)
42% identity, 98% coverage: 2:251/254 of query aligns to 6:256/259 of Q9P7B4

query
sites
Q9P7B4

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S42 (≠ N37) modified: Phosphoserine
T43 (≠ L38) modified: Phosphothreonine

3asvA The closed form of serine dehydrogenase complexed with NADP+ (see paper)
45% identity, 94% coverage: 5:244/254 of query aligns to 3:239/248 of 3asvA

query
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3asvA

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binding nadp nicotinamide-adenine-dinucleotide phosphate: G7 (= G9), T9 (= T11), G11 (= G13), F12 (≠ I14), R32 (= R34), R33 (= R35), D54 (= D60), V55 (= V61), N81 (= N87), G83 (= G89), I132 (= I138), S134 (= S140), Y147 (= Y153), K151 (= K157), G178 (= G184), V180 (= V186), T183 (= T188), E184 (≠ D189), F185 (= F190)
binding phosphate ion: S134 (= S140), Y147 (= Y153), G178 (= G184), F185 (= F190)

Q05016 NADP-dependent 3-hydroxy acid dehydrogenase; L-allo-threonine dehydrogenase; EC 1.1.1.-; EC 1.1.1.381 from Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast)
41% identity, 98% coverage: 3:251/254 of query aligns to 14:266/267 of Q05016

query
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Q05016

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N102 (= N87) binding NADP(+)
Y168 (= Y153) binding NADP(+)
K172 (= K157) binding NADP(+)

3rkuA Substrate fingerprint and the structure of NADP+ dependent serine dehydrogenase from saccharomyces cerevisiae complexed with NADP+
41% identity, 98% coverage: 3:251/254 of query aligns to 15:267/268 of 3rkuA

query
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3rkuA

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active site: A107 (= A91), N128 (= N112), S156 (= S140), Y169 (= Y153), K173 (= K157), N214 (≠ D198)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G21 (= G9), S23 (≠ T11), G25 (= G13), I26 (= I14), R49 (= R34), R50 (= R35), D76 (= D60), I77 (≠ V61), N103 (= N87), A104 (= A88), G105 (= G89), K106 (≠ L90), S156 (= S140), Y169 (= Y153), K173 (= K157), P199 (= P183), G200 (= G184), V202 (= V186), T204 (= T188), E205 (≠ D189), F206 (= F190)

6ixjA The crystal structure of sulfoacetaldehyde reductase from klebsiella oxytoca (see paper)
39% identity, 96% coverage: 2:244/254 of query aligns to 1:242/251 of 6ixjA

query
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6ixjA

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T

D

I

L

Q

A

P
|
P

G
|
G

I

I

V
x
A

E

E

T
|
T

D
x
E

F
|
F

S

T

T

L

V

V

R

R

F

T

H

K

G

G

D

D

K

Q

E

A

R

A

A

S

A

D

Q

N

V

L

Y

Y

K

R

G

G

V

T

E

T

A

P

L

L

K

S

S

A

Q

R

D

D

I

I

A

A

D

E

V

Q

I

M

L

F

Y

Y

V

I

A

A

N

T

Q

L

P

P

Q

D

H

H

V

M

Q

N

I

I

S

N

D

R

V

V

T

E

I

V

M

M

A

P

T

V

Q

R

Q

Q

A

A

binding 2-hydroxyethylsulfonic acid: S138 (= S140), Y145 (= Y147), Y151 (= Y153)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G8 (= G9), T10 (= T11), S11 (= S12), G12 (= G13), F13 (≠ I14), R33 (= R34), R34 (= R35), D57 (≠ T62), V58 (≠ Q63), N84 (= N87), A85 (= A88), G86 (= G89), T108 (= T111), I136 (= I138), S138 (= S140), Y151 (= Y153), K155 (= K157), P181 (= P183), G182 (= G184), A184 (≠ V186), T186 (= T188), E187 (≠ D189), F188 (= F190)

A0A1U8QWA2 Glycine betaine reductase ATRR; Nonribosomal peptide synthetase-like protein ATRR; EC 1.2.1.-; EC 1.1.1.- from Emericella nidulans (strain FGSC A4 / ATCC 38163 / CBS 112.46 / NRRL 194 / M139) (Aspergillus nidulans) (see paper)
32% identity, 93% coverage: 2:238/254 of query aligns to 1029:1263/1270 of A0A1U8QWA2

query
sites
A0A1U8QWA2

A
x
G

R
x
K

T
x
V

V
x
A

L
x
V

I
x
V

T
|
T

G
|
G

A
|
A

T
x
S

S
|
S

G
|
G

I
|
I

G
|
G

R
x
A

A
|
A

T
x
V

A
|
A

N
x
T

A
|
A

F
x
L

A
|
A

K
x
R

N
x
E

G
|
G

D
x
A

N
x
H

L
x
V

I
x
A

I
x
L

L
x
G

G
x
A

R
|
R

K
x
L

N
x
D

L
x
A

L
|
L

S
x
E

E
x
S

A
x
L

K
|
K

A
x
E

E
x
K

L
|
L

E
x
S

N
x
A

S
|
S

Y

-

K
x
G

I
x
V

Q
x
K

V
|
V

A
x
V

T
|
T

Y
x
C

V
x
K

L
x
T

D
|
D

V
|
V

T
|
T

Q
x
D

R
|
R

K
|
K

Q
|
Q

S
x
V

E
|
E

L
x
G

V
x
L

I
x
V

A
x
K

T
x
A

I
x
A

L
x
T

E
|
E

Q
x
L

P
x
G

M
x
P

I
x
V

D
|
D

I
|
I

L
|
L

V
|
V

N
x
A

N
x
C

A
|
A

G
|
G

L
x
V

A

-

L
x
M

D
x
Y

L
x
F

E
x
T

K
x
M

F
x
M

Q
x
A

N
|
N

Y
x
T

S
x
Q

L
x
M

A
x
D

D
x
E

V
x
W

D
x
E

Q
x
R

M
x
T

I
x
V

D
|
D

T
x
V

N
|
N

I
x
C

K
|
K

G
|
G

L
x
I

L
|
L

Y
x
N

V
x
S

S
x
L

R
x
A

L
x
S

I
x
T

L
x
V

P
|
P

H
x
G

M
|
M

V
x
L

A
|
A

H
x
R

N
x
G

Q
x
K

G
|
G

H
|
H

I
x
V

N
x
A

I
|
I

G
x
S

S
|
S

T
x
D

A
|
A

G
|
G

I
x
R

A
x
K

A
x
V

Y
x
F

A
x
P

G
|
G

A
x
L

A
x
G

V
|
V

Y
|
Y

C
x
S

A
|
A

T
x
S

K
|
K

A
x
F

V
|
V

K
x
E

V
x
A

L
x
T

S
x
L

D
x
Q

G
x
A

M
x
L

R
|
R

I
x
L

D
x
E

T
|
T

I
x
A

D
x
G

T
x
Q

N
x
G

I
x
L

K
x
R

I
x
V

T
|
T

T
x
A

I
x
V

Q
|
Q

P
|
P

G
|
G

I
x
N

V
x
T

E
x
A

T
|
T

D
|
D

F
x
L

S
x
L

T
x
G

V
x
M

R
x
S

F
x
T

H
x
D

G
x
A

D
x
E

K
x
A

E
x
I

R
x
K

A
x
K

A
x
Y

Q
x
G

V
x
E

Y
x
P

K
x
S

G
|
G

V
x
A

E
x
Q

A
x
I

L
|
L

K
x
D

S
x
P

Q
x
E

D
|
D

I
x
V

A
|
A

D
x
N

V
x
S

I
|
I

L
x
I

Y
|
Y

V
x
A

A
x
L

N
x
R

Q
|
Q

P
|
P

Q
x
E

H
|
H

V
|
V

Q

A

I

M

S

N

D

E

V

I

T

L

I

I

G1036 (= G9) mutation to A: Compromises binding of the cosubstrate NADPH to aldehyde reductase domain R2. Decreases the aldehyde reductase activity by 4,000-fold; when associated with F-1178.
Y1178 (= Y153) mutation to F: Does not substantially affect carboxylic acid reductase activity but results to a 150-fold loss of aldehyde reductase activity and the accumulation of glycine betaine aldehyde intermediate. Further decreases the aldehyde reductase activity by 4,000-fold; when associated with F-1178.

Sites not aligning to the query:

14:418 Adenylation (A) domain
643:937 Carboxylic acid reductase domain R1
812 Y→F: Abolishes overall carboxylic acid reductase activity but does nor affect aldehyde reductase activity.
1026:1256 Aldehyde reductase domain R2

1xg5C Structure of human putative dehydrogenase mgc4172 in complex with nadp
32% identity, 94% coverage: 3:241/254 of query aligns to 11:255/257 of 1xg5C

query
sites
1xg5C

R

R

T

L

V

A

L

L

I

V

T

T

G
|
G

A

A

T
x
S

S

G

G
|
G

I
|
I

G

G

R

A

A

A

T

V

A

A

N

R

A

A

F

L

A

V

K

Q

N

Q

G

G

D

L

N

K

L

V

I

V

I

G

L

C

G
x
A

R
|
R

R
x
T

K

V

N

G

L

N

L

I

S

E

E

E

A

L

K

A

A

A

E

E

L

C

E

K

N

S

S

A

-

G

Y

Y

K

P

I

G

Q

T

V

L

A

I

T

P

Y

Y

V

R

L

C

D
|
D

V
x
L

T

S

Q

N

R

E

K

E

Q

D

S

I

E

L

L

S

V

M

I

F

A

S

T

A

I

I

L

R

E

S

E

Q

Q

H

P

S

M

G

I

V

D

D

I

I

L

C

V

I

N

N

N
|
N

A

A

G
|
G

L

L

A

A

L

R

D

P

L

-

E

D

K

T

F

L

Q

L

N

S

Y

G

S

S

L

T

A

S

D

G

V

W

D

K

Q

D

M

M

I

F

D

N

T

V

N

N

I

V

K

L

G

A

L

L

L

S

Y

I

V

C

S

T

R

R

L

E

I

A

L

Y

P

Q

H

S

M

M

V

K

A

E

H

R

N

N

-

V

-

D

Q

D

G

G

H

H

I

I

N

N

I
|
I

G

N

S
|
S

T

M

A

S

G

G

-

H

-

R

I

V

A

L

A

P

Y

L

A

S

G

V

A

T

A

H

V

F

Y
|
Y

C

S

A

A

T

T

K
|
K

A

Y

A

A

V

V

K

T

V

A

L

L

S

T

D

E

G

G

M

L

R

R

-

Q

-

E

I

L

D

R

T

E

I

A

D

Q

T

T

N

H

I

I

K

R

I

A

T

T

T

C

I

I

Q

S

P

P

G
|
G

I

V

V
|
V

E

E

T
|
T

D

Q

F
|
F

S

A

T

F

V
x
K

R

L

F

H

H

D

G

K

D

D

K

P

E

E

R

K

A

A

Q

A

V

T

Y

Y

K

E

G

Q

V

M

E

K

A

C

L

L

K

K

S

P

Q

E

D

D

I

V

A

A

D

E

V

A

I

V

L

I

Y

Y

V

V

A

L

N

S

Q

T

P

P

Q

A

H

H

V

I

Q

Q

I

I

S

G

D

D

V

I

T

Q

I

M

M

R

A

P

T

T

active site: S150 (= S140), Y165 (= Y153), K169 (= K157)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G17 (= G9), S19 (≠ T11), G21 (= G13), I22 (= I14), A41 (≠ G33), R42 (= R34), T43 (≠ R35), D69 (= D60), L70 (≠ V61), N96 (= N87), G98 (= G89), I148 (= I138), S150 (= S140), Y165 (= Y153), K169 (= K157), G198 (= G184), V200 (= V186), T202 (= T188), F204 (= F190), K207 (≠ V193)

3p19A Improved NADPH-dependent blue fluorescent protein (see paper)
34% identity, 96% coverage: 1:243/254 of query aligns to 1:237/239 of 3p19A

query
sites
3p19A

M

M

A

K

R

K

T

L

V

V

L

V

I

I

T

T

G
|
G

A

A

T
x
S

S
|
S

G
|
G

I
|
I

G

G

R

E

A

A

T

I

A

A

N

R

A

R

F

F

A

S

K

E

N

E

G

G

D

H

N

P

L

L

I

L

L

L

G
x
A

R
|
R

K

V

N

E

L

R

L

L

S

K

E

-

A

-

K

A

A

L

E

N

L

L

E

P

N

N

S

T

Y

L

K

C

I

A

Q

Q

V

V

A

-

T

-

Y

-

V

-

L

-

D
|
D

V
|
V

T

T

Q

D

R

K

K

Y

Q

T

S

F

E

D

L

T

V

A

I

I

A

T

T

R

I

A

L

E

E

K

E

I

Q

Y

P

G

M

P

I

A

D

D

I

A

L

I

V

V

N

N

N
|
N

A
|
A

G
|
G

L

M

A

M

L

L

D

-

L

L

E

G

K

Q

F

I

Q

D

N

T

Y

Q

S

E

L

A

A

N

D

E

V

W

D

Q

Q

R

M

M

I

F

D

D

T

V

N

N

I

V

K

L

G

G

L

L

Y

N

V

G

S

M

R

Q

L

A

I

V

L

L

P

A

H

P

M

M

V

K

A

A

H

R

N

N

Q

C

G

G

H

T

I

I

N

N

I
|
I

G

S

S
|
S

T

I

A

A

G

G

I

K

A

K

A

T

Y

F

A

P

G

D

A

H

A

A

V

A

Y
|
Y

C

C

A

G

T

T

K
|
K

A

F

A

A

V

V

K

H

V

A

L

I

S

S

D

E

G

N

M

V

R

R

I

E

D

E

T

V

I

A

D

A

T

S

N

N

I

V

K

R

I

V

T

M

T

T

I

I

Q

A

P
|
P

G

S

I
x
A

V
|
V

E

K

T
|
T

D
x
E

F
x
L

-

L

-

S

-

H

S

T

T

T

V

S

R

Q

F

Q

H

I

G

K

D

D

K

G

E

Y

R

D

A

A

A

W

Q

R

V

V

Y

D

K

M

G

G

V

-

E

G

A

V

L

L

K

A

S

A

Q

D

D

D

I

V

A

A

D

R

V

A

I

V

L

L

Y

F

V

A

A

Y

N

Q

Q

Q

P

P

Q

Q

H

N

V

V

Q

C

I

I

S

R

D

E

V

I

T

A

I

L

M

A

A

P

T

T

Q

K

Q

Q

active site: S132 (= S140), Y145 (= Y153), K149 (= K157)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G9 (= G9), S11 (≠ T11), S12 (= S12), G13 (= G13), I14 (= I14), A33 (≠ G33), R34 (= R34), R35 (= R35), D53 (= D60), V54 (= V61), N80 (= N87), A81 (= A88), G82 (= G89), I130 (= I138), S132 (= S140), Y145 (= Y153), K149 (= K157), P175 (= P183), A177 (≠ I185), V178 (= V186), T180 (= T188), E181 (≠ D189), L182 (≠ F190)

2japA Clavulanic acid dehydrogenase: structural and biochemical analysis of the final step in the biosynthesis of the beta-lactamase inhibitor clavulanic acid (see paper)
35% identity, 95% coverage: 3:243/254 of query aligns to 6:244/245 of 2japA

query
sites
2japA

R

K

T

V

V

A

L

L

I

I

T

T

G
|
G

A

A

T
x
S

S
|
S

G
|
G

I
|
I

G

G

R

E

A

A

T

T

A

A

N

R

A

A

F

L

A

A

K

A

N

E

G

G

D

A

N

A

L

V

I

A

I

I

L

A

G
x
A

R
|
R

K

V

N

E

L

K

L

L

S

R

E

A

A

L

K

G

A

D

E

E

L

L

E

-

N

T

S

A

Y

A

K

G

I

A

Q

K

V

V

A

H

T

V

Y

L

V

E

L
|
L

D
|
D

V
|
V

T

A

Q

D

R

R

K

Q

Q

G

S

V

E

D

L

A

V

A

I

V

A

A

T

S

I

T

L

V

E

E

E

A

Q

L

P

G

M

G

I

L

D

D

I

I

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

L

I

A
x
M

L

L

D

-

L

L

E

G

K

P

F

V

Q

E

N

D

Y

A

S

D

L

T

A

T

D

D

V

W

D

T

Q

R

M

M

I

I

D

D

T
|
T

N

N

I

L

K

L

G

G

L

L

L

M

Y

Y

V

M

S

T

R

R

L

A

I

A

L

L

P

P

H

H

M

L

V

L

A

-

H

R

N

S

Q

K

G

G

H

T

I

V

N

Q

I
x
M

G
x
S

S
|
S

T

I

A
|
A

G

G

I

R

A

V

A

N

Y

V

A

R

G

N

A

A

V

V

Y
|
Y

C

Q

A

A

T

T

K
|
K

A

F

A

G

V

V

K

N

V

A

L

F

S

S

D

E

G

T

M

L

R

R

I

Q

D

E

T

V

I

T

D

E

T

R

N

G

I

V

K

R

I

V

T

V

I

I

Q

E

P
|
P

G

G

I
x
T

V
x
T

E

D

T
|
T

D
x
E

F
x
L

S

R

T

G

V

H

R

I

F

T

H

H

-

T

G
x
A

D

T

K

K

E

E

R

M

A
x
Y

A

E

Q

Q

V
x
R

Y

I

K

S

G

Q

V

I

E

R

A

K

L

L

K

Q

S

A

Q

Q

D

D

I

I

A

A

D

E

V

A

I

V

L

R

Y

Y

V

A

A

V

N

T

Q

A

P

P

Q

H

H

H

V

A

Q

T

I

V

S

H

D

E

V

I

T

F

I

I

M

R

A

P

T

T

Q

D

Q

Q

active site: S140 (= S140), Y153 (= Y153), K157 (= K157), A198 (≠ G197)
binding (2r,3z,5r)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid: M93 (≠ A91), S140 (= S140), A142 (= A142), Y153 (= Y153), T185 (≠ I185), Y203 (≠ A202), R206 (≠ V205)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G12 (= G9), S14 (≠ T11), S15 (= S12), G16 (= G13), I17 (= I14), A36 (≠ G33), R37 (= R34), R38 (= R35), L61 (= L59), D62 (= D60), V63 (= V61), N89 (= N87), A90 (= A88), G91 (= G89), T112 (= T111), M138 (≠ I138), S139 (≠ G139), S140 (= S140), Y153 (= Y153), K157 (= K157), P183 (= P183), T185 (≠ I185), T186 (≠ V186), T188 (= T188), E189 (≠ D189), L190 (≠ F190)

2jahC Biochemical and structural analysis of the clavulanic acid dehydeogenase (cad) from streptomyces clavuligerus (see paper)
35% identity, 95% coverage: 3:243/254 of query aligns to 7:245/246 of 2jahC

query
sites
2jahC

R

K

T

V

V

A

L

L

I

I

T

T

G
|
G

A

A

T
x
S

S
|
S

G
|
G

I
|
I

G

G

R

E

A

A

T

T

A

A

N

R

A

A

F

L

A

A

K

A

N

E

G

G

D

A

N

A

L

V

I

A

I

I

L

A

G
x
A

R
|
R

K

V

N

E

L

K

L

L

S

R

E

A

A

L

K

G

A

D

E

E

L

L

E

-

N

T

S

A

Y

A

K

G

I

A

Q

K

V

V

A

H

T

V

Y

L

V

E

L

L

D
|
D

V
|
V

T

A

Q

D

R

R

K

Q

Q

G

S

V

E

D

L

A

V

A

I

V

A

A

T

S

I

T

L

V

E

E

E

A

Q

L

P

G

M

G

I

L

D

D

I

I

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

L

I

A

M

L

L

D

-

L

L

E

G

K

P

F

V

Q

E

N

D

Y

A

S

D

L

T

A

T

D

D

V

W

D

T

Q

R

M

M

I

I

D

D

T
|
T

N

N

I

L

K

L

G

G

L

L

L

M

Y

Y

V

M

S

T

R

R

L

A

I

A

L

L

P

P

H

H

M

L

V

L

A

-

H

R

N

S

Q

K

G

G

H

T

I

V

N

Q

I
x
M

G

S

S
|
S

T

I

A

A

G

G

I

R

A

V

A

N

Y

V

A

R

G

N

A

A

V

V

Y
|
Y

C

Q

A

A

T

T

K
|
K

A

F

A

G

V

V

K

N

V

A

L

F

S

S

D

E

G

T

M

L

R

R

I

Q

D

E

T

V

I

T

D

E

T

R

N

G

I

V

K

R

I

V

T

V

I

I

Q

E

P
|
P

G
|
G

I
x
T

V
x
T

E

D

T
|
T

D
x
E

F
x
L

S

R

T

G

V

H

R

I

F

T

H

H

-

T

G
x
A

D

T

K

K

E

E

R

M

A

Y

A

E

Q

Q

V

R

Y

I

K

S

G

Q

V

I

E

R

A

K

L

L

K

Q

S

A

Q

Q

D

D

I

I

A

A

D

E

V

A

I

V

L

R

Y

Y

V

A

A

V

N

T

Q

A

P

P

Q

H

H

H

V

A

Q

T

I

V

S

H

D

E

V

I

T

F

I

I

M

R

A

P

T

T

Q

D

Q

Q

active site: S141 (= S140), Y154 (= Y153), K158 (= K157), A199 (≠ G197)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G13 (= G9), S15 (≠ T11), S16 (= S12), G17 (= G13), I18 (= I14), A37 (≠ G33), R38 (= R34), R39 (= R35), D63 (= D60), V64 (= V61), N90 (= N87), A91 (= A88), G92 (= G89), T113 (= T111), M139 (≠ I138), S141 (= S140), Y154 (= Y153), K158 (= K157), P184 (= P183), G185 (= G184), T186 (≠ I185), T187 (≠ V186), T189 (= T188), E190 (≠ D189), L191 (≠ F190)

4qecA Elxo with NADP bound (see paper)
35% identity, 74% coverage: 1:189/254 of query aligns to 1:188/248 of 4qecA

query
sites
4qecA

M

M

A

K

R

K

T

N

V

V

L

L

I

I

T

T

G

G

A

G

T

F

S
x
K

G
|
G

I
|
I

G

G

R

K

A

Q

T

V

A

A

N

L

A

E

F

F

A

L

K

K

N

N

G

D

D

Y

N

H

L

V

I

C

I

I

L

T

G
x
S

R
|
R

R

Y

K

-

N

-

L

F

L

E

S
x
K

E

E

A

K

K

R

-

I

A

P

E

H

L

L

E

F

N

S

S

S

Y

Y

K

E

I

E

Q

N

V

I

A

S

T

F

Y

Y

V

Q

L

L

D
|
D

V
|
V

T

T

Q

D

R

E

K

E

Q

Q

S

V

E

N

L

E

V

I

I

I

A

N

T

K

I

I

L

V

E

K

Q

F

P

G

M

R

I

L

D

D

I

V

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

L

I

A

S

L

L

D

S

L

D

E

G

K

L

F

L

Q

T

N

E

Y

T

S

K

L

T

A

T

D

D

V

F

D

N

Q

K

M

M

I

I

D

N

T

T

N
|
N

I

I

K

L

G

G

L

T

L

Y

Y

F

V

C

S

M

R

K

L

Y

I

A

L

L

P

K

H

H

M

M

V

Q

A

K

H

V

N

S

Q

C

G

G

H

A

I

I

I

V

N

N

I
|
I

G

S

S
|
S

T

I

A

T

G

G

I

L

A

S

A

G

Y

F

A

P

G

Y

A

S

A

I

V

L

Y
|
Y

C

G

A

S

T

T

K
|
K

A

H

A

A

V

V

K

I

V

G

L

L

S

T

D

K

G

G

M

A

R

A

I

V

D

E

T

F

I

A

D

D

T

K

N

G

I

I

K

K

I

I

T

N

T

A

I

V

Q

A

P
|
P

G

G

I

I

V
x
I

E

K

T

T

D

E

active site: G13 (= G13), N111 (= N112), S139 (= S140), Y152 (= Y153), K156 (= K157)
binding nadp nicotinamide-adenine-dinucleotide phosphate: K12 (≠ S12), G13 (= G13), I14 (= I14), S33 (≠ G33), R34 (= R34), K38 (≠ S40), D59 (= D60), V60 (= V61), N86 (= N87), A87 (= A88), G88 (= G89), I137 (= I138), Y152 (= Y153), K156 (= K157), P182 (= P183), I185 (≠ V186)

2cfcA Structural basis for stereo selectivity in the (r)- and (s)- hydroxypropylethane thiosulfonate dehydrogenases (see paper)
29% identity, 89% coverage: 1:227/254 of query aligns to 1:231/250 of 2cfcA

query
sites
2cfcA

M

M

A

S

R

R

T

V

V

A

L

I

I

V

T

T

G
|
G

A

A

T

S

S
|
S

G
|
G

I
x
N

G

G

R

L

A

A

T

I

A

A

N

T

A

R

F

F

A

L

K

A

N

R

G

G

D

D

N

R

L

V

I

A

L

L

G
x
D

R
x
L

R

S

K

A

N

E

L

T

L

L

S

E

E

E

A

T

K

A

A

R

E

T

L

H

E

W

N

H

S

A

Y

Y

K

A

I

D

Q

K

V

V

A

L

T

R

Y

V

V

R

L
x
A

D
|
D

V
|
V

T

A

Q

D

R

E

K

G

Q

D

S

V

E

N

L

A

V

A

I

I

A

A

T

A

I

T

L

M

E

E

E

Q

Q

F

P

G

M

A

I

I

D

D

I

V

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

L

I

A

T

L

G

D

N

L

S

E

E

K

A

-

G

-

V

F

L

Q

H

N

T

Y

T

S

P

L

V

A

E

D

Q

V

F

D

D

Q

K

M

V

I

M

D

A

T

V

N

N

I

V

K

R

G

G

L

I

L

F

Y

L

V

G

S

C

R

R

L

A

I

V

L

L

P

P

H

H

M

M

V

L

A

L

H

Q

N

G

Q

A

G

G

H

V

I

I

I

V

N

N

I
|
I

G

A

S
|
S

T

V

A

A

G

S

I

L

A

V

A

A

Y
x
F

A

P

G

G

A
x
R

A

S

V

A

Y
|
Y

C

T

A

T

T

S

K
|
K

A

G

A

A

V

V

K

L

V

Q

L

L

S

T

D

K

G

S

M

V

R

A

I

V

D

D

T

Y

I

A

D

G

T

S

N

G

I

I

K

R

I

C

T

N

T

A

I

V

Q

C

P
|
P

G
|
G

I
x
M

V
x
I

E

E

T
|
T

D
x
P

F
x
M

S
x
T

T

Q

V
x
W

R
|
R

F

L

H

D

G

Q

D

P

K

E

E

L

R

R

A

-

A

D

Q

Q

V

V

Y

L

K

A

G

R

V

I

-

P

-

Q

-

K

E

E

A

I

L

G

K

T

S

A

Q

A

D

Q

I

V

A

A

D

D

V

A

I

V

L

M

Y

F

V

L

A

A

N

G

Q

E

active site: G13 (= G13), S142 (= S140), Y155 (= Y153), K159 (= K157)
binding (2-[2-ketopropylthio]ethanesulfonate: F149 (≠ Y147), R152 (≠ A150), Y155 (= Y153), W195 (≠ V193), R196 (= R194)
binding nicotinamide-adenine-dinucleotide: G9 (= G9), S12 (= S12), G13 (= G13), N14 (≠ I14), D33 (≠ G33), L34 (≠ R34), A59 (≠ L59), D60 (= D60), V61 (= V61), N87 (= N87), A88 (= A88), G89 (= G89), I140 (= I138), P185 (= P183), G186 (= G184), M187 (≠ I185), I188 (≠ V186), T190 (= T188), P191 (≠ D189), M192 (≠ F190), T193 (≠ S191)

Q56840 2-(R)-hydroxypropyl-CoM dehydrogenase; R-HPCDH; 2-[(R)-2-hydroxypropylthio]ethanesulfonate dehydrogenase; Aliphatic epoxide carboxylation component III; Epoxide carboxylase component III; RHPCDH1; EC 1.1.1.268 from Xanthobacter autotrophicus (strain ATCC BAA-1158 / Py2) (see 4 papers)
29% identity, 89% coverage: 1:227/254 of query aligns to 1:231/250 of Q56840

query
sites
Q56840

M
|
M

A

S

R

R

T

V

V

A

L

I

I

V

T

T

G

G

A

A

T

S

S
|
S

G
|
G

I
x
N

G

G

R

L

A

A

T

I

A

A

N

T

A

R

F

F

A

L

K

A

N

R

G

G

D

D

N

R

L

V

I

A

L

L

G
x
D

R

L

R

S

K

A

N

E

L

T

L

L

S

E

E

E

A

T

K

A

A

R

E

T

L

H

E

W

N

H

S

A

Y

Y

K

A

I

D

Q

K

V

V

A

L

T

R

Y

V

V

R

L

A

D
|
D

V
|
V

T

A

Q

D

R

E

K

G

Q

D

S

V

E

N

L

A

V

A

I

I

A

A

T

A

I

T

L

M

E

E

E

Q

Q

F

P

G

M

A

I

I

D

D

I

V

L

L

V

V

N

N

N
|
N

A

A

G

G

L

I

A

T

L

G

D

N

L

S

E

E

K

A

-

G

-

V

F

L

Q

H

N

T

Y

T

S

P

L

V

A

E

D

Q

V

F

D

D

Q

K

M

V

I

M

D

A

T

V

N

N

I

V

K

R

G

G

L

I

L

F

Y

L

V

G

S

C

R

R

L

A

I

V

L

L

P

P

H

H

M

M

V

L

A

L

H

Q

N

G

Q

A

G

G

H

V

I

I

I

V

N

N

I

I

G

A

S
|
S

T

V

A

A

G

S

I

L

A

V

A

A

Y

F

A

P

G

G

A
x
R

A

S

V

A

Y
|
Y

C

T

A

T

T

S

K
|
K

A

G

A

A

V

V

K

L

V

Q

L

L

S

T

D

K

G

S

M

V

R

A

I

V

D

D

T

Y

I

A

D

G

T

S

N

G

I

I

K
x
R

I

C

T

N

T

A

I

V

Q

C

P

P

G

G

I

M

V
x
I

E
|
E

T
|
T

D
x
P

F
x
M

S

T

T

Q

V
x
W

R
|
R

F

L

H

D

G

Q

D

P

K

E

E

L

R
|
R

A

-

A

D

Q

Q

V

V

Y

L

K

A

G
x
R

V

I

-

P

-

Q

-

K

E

E

A

I

L

G

K

T

S

A

Q

A

D

Q

I

V

A

A

D

D

V

A

I

V

L

M

Y

F

V

L

A

A

N

G

Q

E

M1 (= M1) modified: Initiator methionine, Removed
SGN 12:14 (≠ SGI 12:14) binding NAD(+)
D33 (≠ G33) binding NAD(+)
DV 60:61 (= DV 60:61) binding NAD(+)
N87 (= N87) binding NAD(+)
S142 (= S140) mutation to A: Retains weak activity. 120-fold decrease in kcat.; mutation to C: Loss of activity.
R152 (≠ A150) binding 2-oxopropyl-coenzyme M; mutation to A: Almost loss of activity with the natural substrate 2-KPC, but does not affect activity with 2-butanone as substrate.
Y155 (= Y153) mutation Y->E,F: Loss of activity.
K159 (= K157) mutation to A: Loss of activity.
R179 (≠ K177) mutation to A: Loss of activity.
IETPM 188:192 (≠ VETDF 186:190) binding NAD(+)
WR 195:196 (≠ VR 193:194) binding 2-oxopropyl-coenzyme M
R196 (= R194) mutation to A: Almost loss of activity with the natural substrate 2-KPC, but does not affect activity with 2-butanone as substrate.
R203 (= R201) mutation to A: Slight decrease in catalytic efficiency.
R209 (≠ G208) mutation to A: Does not affect catalytic efficiency.

1xkqA Crystal structure of short-chain dehydrogenase/reductase of unknown function from caenorhabditis elegans with cofactor
31% identity, 89% coverage: 3:227/254 of query aligns to 6:244/272 of 1xkqA

query
sites
1xkqA

R

K

T

T

V

V

L

I

I

I

T

T

G
|
G

A

S

T
x
S

S

N

G
|
G

I
|
I

G

G

R

R

A

T

T

T

A

A

N

I

A

L

F

F

A

A

K

Q

N

E

G

G

D

A

N

N

L

V

I

T

I

I

L

T

G

G

R
|
R

R
x
S

K

S

N

E

L
x
R

L

L

S

E

E

E

A

T

K

R

A

Q

E

I

L

I

E

L

N

K

S

S

-

G

-

V

Y

S

K

E

I

K

Q

Q

V

V

A

N

T

S

Y

V

V

V

L

A

D
|
D

V
|
V

T

T

Q

T

R

E

K

D

Q

G

S

Q

E

D

L

Q

V

I

I

I

A

N

T

S

I

T

L

L

E

K

E

Q

Q

F

P

G

M

K

I

I

D

D

I

V

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

L

A

A

A

L

I

D

P

L

-

E

-

K

-

F

-

Q

D

N

A

Y

F

S

G

L

T

A

T

D

G

V

T

D

D

Q

Q

M

G

I

I

D

D

T

I

-

Y

-

H

-

K

-

T

-

L

-

K

-
x
L

N

N

I

L

K

Q

G

A

L

V

L

I

Y

E

V

M

S

T

R

K

L

K

I

V

L

K

P

P

H

H

M

L

V

V

A

A

H

-

N

S

Q

K

G

G

H

E

I

I

I

V

N

N

I

V

G

S

S
|
S

-

I

T

V

A

A

G

G

I

P

A

Q

A

A

Y

Q

A

P

G

D

A
x
F

A

L

V

Y

Y
|
Y

C

A

A

I

T

A

K
|
K

A

A

V

L

K

D

V

Q

L

Y

S

T

D

R

G

S

M

T

R

A

I

I

D

D

T

L

I

A

D

K

T

F

N

G

I

I

K

R

I

V

T

N

T

S

I

V

Q

S

P
|
P

G
|
G

I
x
M

V
|
V

E

E

T
|
T

D
x
G

F
|
F

S

T

T

N

V

A

R

M

F

-

H

-

G

G

D

M

K

P

E
x
D

R

Q

A

A

A

S

Q

Q

V

K

Y

F

K

Y

G

N

V

F

-

M

-

A

-

S

-

H

-

K

-

E

-

C

-

I

-

P

-

I

-

G

E

A

A

A

L

G

K

K

S

P

Q

E

D

H

I

I

A

A

D

N

V

I

I

I

L

L

Y

F

V

L

A

A

N

D

Q

R

active site: G16 (= G13), S147 (= S140), F158 (≠ A150), Y161 (= Y153), K165 (= K157), D206 (≠ E200)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G12 (= G9), S14 (≠ T11), G16 (= G13), I17 (= I14), R37 (= R34), S38 (≠ R35), R41 (≠ L38), D65 (= D60), V66 (= V61), N92 (= N87), A93 (= A88), G94 (= G89), L119 (vs. gap), S147 (= S140), Y161 (= Y153), K165 (= K157), P191 (= P183), G192 (= G184), M193 (≠ I185), V194 (= V186), T196 (= T188), G197 (≠ D189), F198 (= F190)

5itvA Crystal structure of bacillus subtilis bacc dihydroanticapsin 7- dehydrogenase in complex with nadh (see paper)
28% identity, 88% coverage: 3:226/254 of query aligns to 8:235/255 of 5itvA

query
sites
5itvA

R

K

T

T

V

V

L

L

I

I

T

T

G
|
G

A

G

T

A

S
|
S

G
|
G

I
|
I

G

G

R

Y

A

A

T

A

A

V

N

Q

A

A

F

F

A

-

K

-

N

-

G

-

D

-

N

-

L

-

I

-

L

L

G

G

R

Q

K

A

N

N

L

V

-

V

-

A

-
x
D

-
x
I

-

D

-

E

-

A

-

Q

S

G

E

E

A

A

K

M

A

V

E

R

L

K

E

E

N

N

S

N

Y

D

K

R

I

L

Q

H

V

F

A

V

T

Q

Y

-

V

-

L
x
T

D

D

V
x
I

T

T

Q

D

R

E

K

A

Q

A

S

C

E

Q

L

H

V

A

I

V

A

E

T

S

I

A

L

V

E

H

E

T

Q

F

P

G

M

G

I

L

D

D

I

V

L

L

V

I

N

N

N
|
N

A

A

G
|
G

L

I

A

E

L

I

D

-

L

V

E

A

K

P

F

I

Q

H

N

E

Y

M

S

E

L

L

A

S

D

D

V

W

D

N

Q

K

M

V

I

L

D

Q

T

V

N

N

I

L

K

T

G

G

L

M

L

F

Y

L

V

M

S

S

R

K

L

H

I

A

L

L

P

K

H

H

M

M

V

L

A

A

H

A

N

G

Q

K

G

G

H

N

I

I

N

N

I
x
T

G

C

S
|
S

T

V

A

G

G

G

I

L

A

V

A

A

Y

W

A

P

G

D

A

I

A

P

V

A

Y
|
Y

C

N

A

A

T

S

K
|
K

A

G

V

V

K

L

V

Q

L

L

S

T

D

K

G

S

M

M

R

A

I

V

D

D

T

Y

I

A

D

K

T

H

N

Q

I

I

K

R

I

V

T

N

T

C

I

V

Q

C

P
|
P

G
|
G

I
|
I

V
x
I

E

D

T

T

D

P

F

L

S

N

T

E

V

K

R

S

F

F

H

L

G

E

D

N

-

N

-

E

-

G

-

T

-

L

-

E

-

I

K

K

E

K

R

E

A

K

A

A

Q

K

V

V

Y

N

K

P

G

L

V

L

E

R

A

L

L

G

K

K

S

P

Q

E

D

E

I

I

A

A

D

N

V

V

I

M

L

L

Y

F

V

L

A

A

N

S

active site: G18 (= G13), S141 (= S140), Y154 (= Y153), K158 (= K157)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G9), S17 (= S12), G18 (= G13), I19 (= I14), D38 (vs. gap), I39 (vs. gap), T61 (≠ L59), I63 (≠ V61), N89 (= N87), G91 (= G89), T139 (≠ I138), S141 (= S140), Y154 (= Y153), K158 (= K157), P184 (= P183), G185 (= G184), I186 (= I185), I187 (≠ V186)

4bmvC Short-chain dehydrogenase from sphingobium yanoikuyae in complex with NADPH
34% identity, 73% coverage: 4:189/254 of query aligns to 5:188/258 of 4bmvC

query
sites
4bmvC

T

T

V

V

L

L

I

I

T

T

G
|
G

A

A

T
x
S

S
|
S

G
|
G

I
|
I

G

G

R

A

A

T

T

Y

A

A

N

E

A

R

F

F

A

A

K

R

N

R

G

G

D

H

N

D

L

L

I

V

I

L

L

V

G

A

R
|
R

R
x
D

K

K

N

V

L

R

L

L

S

D

E

A

A

L

K

A

A

A

E

R

L

L

E

R

N

D

S

E

Y

S

K

G

I

V

Q

A

V

V

A

E

T

A

Y

L

V

Q

L
x
A

D
|
D

V

L

T

T

Q

-

R

-

K

R

Q

P

S

A

E

D

L

L

V

A

I

A

A

V

T

E

I

I

-

R

L

L

E

R

E

E

Q

D

P

A

M

R

I

I

D

G

I

I

L

L

V

I

N

N

N
|
N

A

A

G
|
G

L

M

A

A

L

Q

D

S

L

-

E

G

K

G

F

F

Q

V

N

Q

Y

Q

S

T

L

A

A

E

D

G

V

I

D

E

Q

R

M

L

I

I

D

T

T
x
L

N
|
N

I

T

K

T

G

A

L

L

L

T

Y

R

V

L

S

A

R

A

L

A

I

V

L

A

P

P

H

R

M

F

V

V

A

Q

H

S

N

G

Q

T

G

G

H

A

I

I

I

V

N

N

I
|
I

G

G

S
|
S

T

V

A

V

G

G

I

F

A

A

A

P

Y

E

A

F

G

G

A

M