SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_111608296.1 NCBI__GCF_003259225.1:WP_111608296.1 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)

5wjsA Crystal structure of oxidoreductase (short chain dehydrogenase/reductase family) from burkholderia thailandensis complexed with nadh
46% identity, 97% coverage: 7:252/254 of query aligns to 10:256/258 of 5wjsA

query
sites
5wjsA

Q

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active site: G27 (= G24), S152 (= S148), Y162 (≠ M158), Y165 (= Y161), K169 (= K165)
binding 1,4-dihydronicotinamide adenine dinucleotide: G23 (= G20), T26 (≠ S23), I28 (= I25), D47 (= D44), L48 (≠ I45), D73 (= D71), L74 (≠ V72), N100 (= N98), A102 (≠ G100), L150 (≠ M146), G151 (= G147), S152 (= S148), K169 (= K165), P195 (= P191), G196 (= G192), W197 (≠ A193), V198 (= V194), K202 (≠ R198)

7wwxA Crystal structure of herbaspirillum huttiense l-arabinose 1- dehydrogenase (NAD bound form) (see paper)
47% identity, 97% coverage: 8:254/254 of query aligns to 6:254/254 of 7wwxA

query
sites
7wwxA

Y

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binding nicotinamide-adenine-dinucleotide: G18 (= G20), T21 (≠ S23), I23 (= I25), D42 (= D44), I43 (= I45), C68 (≠ V70), D69 (= D71), L70 (≠ V72), N96 (= N98), A98 (≠ G100), F146 (≠ M146), S147 (≠ G147), S148 (= S148), Y161 (= Y161), K165 (= K165), P191 (= P191), G192 (= G192), W193 (≠ A193), V194 (= V194), R198 (= R198)

6j7uA Crystal structure of blue fluorescent protein from metagenomic library in complex with NADPH (see paper)
36% identity, 96% coverage: 10:252/254 of query aligns to 2:244/247 of 6j7uA

query
sites
6j7uA

S

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Y

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G

active site: G16 (= G24), S142 (= S148), Y156 (= Y161)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G12 (= G20), S14 (≠ G22), R15 (≠ S23), I17 (= I25), Y36 (≠ D44), V37 (≠ I45), S38 (≠ D46), S41 (= S49), D65 (= D71), S66 (≠ V72), N92 (= N98), A93 (= A99), G94 (= G100), I115 (= I121), G141 (= G147), S142 (= S148), Y156 (= Y161), K160 (= K165), P186 (= P191), T191 (= T196), M193 (≠ R198), N194 (≠ Q199)

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)
34% identity, 95% coverage: 14:254/254 of query aligns to 3:254/256 of Q48436

query
sites
Q48436

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6:33 (vs. 17:44, 39% identical) binding NAD(+)
D59 (= D71) binding NAD(+)
K156 (= K165) binding NAD(+)

1gegE Cryatal structure analysis of meso-2,3-butanediol dehydrogenase (see paper)
34% identity, 95% coverage: 14:254/254 of query aligns to 3:254/256 of 1gegE

query
sites
1gegE

N

K

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|
K

G

F

A

A

I

V

H

R

T

G

M

L

T

T

R

Q

T

T

M

A

A

A

R

R

E

D

L

L

G

A

P

P

R

L

G

G

I

I

R

T

V

V

N

N

S

G

I

Y

V

C

P
|
P

G

G

A

I

V
|
V

V

K

T
|
T

-

P

-
x
M

-

W

-

A

-

E

-

I

E

D

R

R

Q

Q

K
x
V

A

S

L

E

W

A

L

A

T

G

P

K

E

P

L

L

-

G

-

Y

-

G

D

T

Q

A

E

E

F

F

I

A

D

K

V

R

Q

I

S

T

L

L

K

G

F

R

R

L

I

S

Q

E

P

P

D

E

D

D

I

V

V

A

A

A

M

C

A

V

L

S

F

Y

L

L

A

A

S

S

Q

P

D

D

S

S

R

D

A

Y

C

M

A

T

G

G

Q

Q

N

S

F

L

I

L

V

I

D

D

A

G

G

G

I

M

V

V

active site: G13 (= G24), S139 (= S148), Y152 (= Y161), K156 (= K165), V197 (≠ K200)
binding alpha-D-glucopyranose: R63 (≠ I75), D64 (≠ A76), F67 (≠ Q79), E123 (≠ K135)
binding nicotinamide-adenine-dinucleotide: G9 (= G20), Q12 (≠ S23), I14 (= I25), D33 (= D44), Y34 (≠ I45), V58 (= V70), D59 (= D71), V60 (= V72), N86 (= N98), A87 (= A99), I109 (= I121), S139 (= S148), Y152 (= Y161), K156 (= K165), P182 (= P191), V185 (= V194), T187 (= T196), M189 (vs. gap)

4jroC Crystal structure of 3-oxoacyl-[acyl-carrier protein]reductase (fabg) from listeria monocytogenes in complex with NADP+
31% identity, 96% coverage: 10:254/254 of query aligns to 2:246/247 of 4jroC

query
sites
4jroC

S

T

L

L

K

Q

D

G

N

K

V

V

V

A

F

V

I

V

T

T

G
|
G

G

G

G
x
S

S
x
R

G
|
G

I
|
I

G

G

E

R

Y

D

L

I

V

A

H

I

H

N

F

L

I

A

K

K

Q

E

G

G

A

A

R

N

V

I

A

F

Y

F

I
x
N

D
x
Y

I
x
N

D
x
G

E
x
S

A

P

S

E

S

A

A

A

A

E

L

E

N

T

Q

A

R

K

L

L

S

V

D

A

E

E

F

H

N

G

V

V

T

E

P

V

W

E

F

A

R

M

K

K

V

A

D
x
N

V
|
V

R

A

D

I

I

A

A

E

A

D

L

V

Q

D

S

A

A

F

I

F

N

K

D

Q

A

A

A

I

Q

E

E

R

L

F

G

G

R

R

L

V

D

D

V

I

L

L

I

V

N

N

N
|
N

A
|
A

G

G

K
x
I

D

T

D

R

R

D

H

N

T

L

I

L

E

M

N

R

V

M

T

K

P

E

E

D

Y

E

W

W

D

D

N

D

C

V

L

I

N

N

I
|
I

N

N

M

L

R

K

P

G

H

T

F

F

F

L

G

C

M

T

Q

K

A

A

A

V

A

S

K

R

W

T

M

M

-

M

-

K

K

Q

E

R

G

A

A

G

S

K

I

I

N

N

M

M

G

A

S
|
S

I

V

S

V

W

G

M

L

R

I

G

G

R

N

A

A

G

G

M
x
Q

V

A

G

N

Y
|
Y

T

V

T

A

S

S

K
|
K

G

A

A

G

I

V

H

I

T

G

M

L

T

T

R

K

T

T

M

T

A

A

R

R

E

E

L

L

G

A

P

P

R

R

G

G

I

I

R

N

V

V

N

N

S

A

I

V

V

A

P
|
P

G

G

A

F

V
x
I

V

T

T
|
T

E

D

R

-

Q

-

K

-

A

-

L

-

W

-

L

M

T

T

P

D

E

K

L

L

D

D

Q

E

E

K

F

T

I

K

D

E

V

A

Q

M

S

L

L

A

K

Q

F

I

R

P

I

L

-

G

-

A

-

Y

-

G

Q

T

P

T

D

E

D

D

I

I

V

A

A

N

M

A

A

V

L

L

F

F

L

L

A

A

S

S

Q

D

D

A

S

S

R

K

A

Y

C

I

A

T

G

G

Q

Q

N

T

F

L

I

S

V

V

D

D

A

G

G

G

I

M

V

V

active site: G16 (= G24), S142 (= S148), Q152 (≠ M158), Y155 (= Y161), K159 (= K165)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G20), S14 (≠ G22), R15 (≠ S23), G16 (= G24), I17 (= I25), N35 (≠ I43), Y36 (≠ D44), N37 (≠ I45), G38 (≠ D46), S39 (≠ E47), N63 (≠ D71), V64 (= V72), N90 (= N98), A91 (= A99), I93 (≠ K101), I113 (= I121), S142 (= S148), Y155 (= Y161), K159 (= K165), P185 (= P191), I188 (≠ V194), T190 (= T196)

1nfqA Rv2002 gene product from mycobacterium tuberculosis (see paper)
34% identity, 96% coverage: 11:254/254 of query aligns to 4:238/244 of 1nfqA

query
sites
1nfqA

L

L

K

T

D

G

N

K

V

V

V

A

F

L

I

V

T

S

G

G

G

A

S
x
R

G
|
G

I
x
M

G

G

E

A

Y

S

L

H

V

V

H

R

H

A

F

M

I

V

K

A

Q

E

G

G

A

A

R

K

V

V

A

V

Y

F

I

G

D
|
D

I

I

-
x
L

D

D

E

E

A

E

S

-

A

-

L

-

N

G

Q

K

R

A

L

M

S

A

D

A

E

E

F

L

N

A

V

D

T

A

P

A

W

R

F

Y

R

V

K

H

V
x
L

D
|
D

V
|
V

R

T

D

Q

I

P

A

A

A

Q

L

W

Q

K

S

A

A

A

I

V

N

D

D

T

A

A

A

V

Q

T

E

A

L

F

G

G

R

G

L

L

D

H

V

V

L

L

I

V

N

N

N
|
N

A
|
A

G

G

K

I

D
x
L

D

N

R

I

H

G

T

T

I

I

E

E

N

D

V

Y

T

A

P

L

E

T

Y

E

W

W

D

Q

N

R

C

I

L

L

N

D

I

V

N

N

M

L

R

T

P

G

H

V

F

F

F

L

G

G

M

I

Q

R

A

A

A

V

K

K

W

P

M

M

K

K

E

E

G

A

A

G

-

R

-

G

S

S

I

I

N

N

M
x
I

G

S

S
|
S

I

I

S
x
E

W

G

M

L

R

A

G

G

R

T

A

V

G

A

M
x
C

V

H

G

G

Y
|
Y

T

T

T

A

S

T

K
|
K

G

F

A

A

I

V

H

R

T

G

M

L

T

T

R

K

T

S

M

T

A

A

R

L

E

E

L

L

G

G

P

P

R

S

G

G

I

I

R

R

V

V

N

N

S

S

I

I

V

H

P
|
P

G

G

A

L

V
|
V

V

K

T
|
T

E
x
P

R
x
M

Q
x
T

K

D

A

-

L

-

W

W

L
x
V

T

P

P

E

E

D

L
x
I

D
x
F

Q

Q

E

-

F

-

I

-

D

-

V

-

Q

T

S

A

L

L

K

G

F

R

R

A

I

A

Q

E

P

P

D

V

D

E

I

V

V

S

A

N

M

L

A

V

L

V

F

Y

L

L

A

A

S

S

Q

D

D

E

S

S

R

S

A

Y

C

S

A

T

G

G

Q

A

N

E

F

F

I

V

V

V

D

D

A

G

G

G

I

T

V

V

active site: G17 (= G24), S139 (= S148), Y152 (= Y161), K156 (= K165)
binding Androsterone: L91 (≠ D102), E141 (≠ S150), C149 (≠ M158), Y152 (= Y161), V193 (≠ L204), I197 (≠ L208), F198 (≠ D209)
binding 1,4-dihydronicotinamide adenine dinucleotide: R16 (≠ S23), G17 (= G24), M18 (≠ I25), D37 (= D44), L39 (vs. gap), L59 (≠ V70), D60 (= D71), V61 (= V72), N87 (= N98), A88 (= A99), I137 (≠ M146), S139 (= S148), Y152 (= Y161), K156 (= K165), P182 (= P191), V185 (= V194), T187 (= T196), P188 (≠ E197), M189 (≠ R198), T190 (≠ Q199)

1nffA Crystal structure of rv2002 gene product from mycobacterium tuberculosis (see paper)
34% identity, 96% coverage: 11:254/254 of query aligns to 4:238/244 of 1nffA

query
sites
1nffA

L

L

K

T

D

G

N

K

V

V

V

A

F

L

I

V

T

S

G
|
G

G

G

G

A

S
x
R

G
|
G

I
x
M

G

G

E

A

Y

S

L

H

V

V

H

R

H

A

F

M

I

V

K

A

Q

E

G

G

A

A

R

K

V

V

A

V

Y

F

I

G

D
|
D

I
|
I

-
x
L

D

D

E

E

A

E

S

-

A

-

L

-

N

G

Q

K

R

A

L

M

S

A

D

A

E

E

F

L

N

A

V

D

T

A

P

A

W

R

F

Y

R

V

K

H

V
x
L

D
|
D

V
|
V

R

T

D

Q

I

P

A

A

A

Q

L

W

Q

K

S

A

A

A

I

V

N

D

D

T

A

A

A

V

Q

T

E

A

L

F

G

G

R

G

L

L

D

H

V

V

L

L

I

V

N

N

N
|
N

A
|
A

G
|
G

K
x
I

D

L

D

N

R

I

H

G

T

T

I

I

E

E

N

D

V

Y

T

A

P

L

E

T

Y

E

W

W

D

Q

N

R

C

I

L

L

N

D

I

V

N

N

M

L

R

T

P

G

H

V

F

F

F

L

G

G

M

I

Q

R

A

A

A

V

K

K

W

P

M

M

K

K

E

E

G

A

A

G

-

R

-

G

S

S

I

I

N

N

M
x
I

G

S

S
|
S

I

I

S

E

W

G

M

L

R

A

G

G

R

T

A

V

G

A

M

C

V

H

G

G

Y
|
Y

T

T

T

A

S

T

K
|
K

G

F

A

A

I

V

H

R

T

G

M

L

T

T

R

K

T

S

M

T

A

A

R

L

E

E

L

L

G

G

P

P

R

S

G

G

I

I

R

R

V

V

N

N

S

S

I

I

V

H

P
|
P

G

G

A

L

V
|
V

V

K

T
|
T

E
x
P

R
x
M

Q
x
T

K

D

A

-

L

-

W

W

L

V

T

P

P

E

E

D

L

I

D

F

Q

Q

E

-

F

-

I

-

D

-

V

-

Q

T

S

A

L

L

K

G

F

R

R

A

I

A

Q

E

P

P

D

V

D

E

I

V

V

S

A

N

M

L

A

V

L

V

F

Y

L

L

A

A

S

S

Q

D

D

E

S

S

R

S

A

Y

C

S

A

T

G

G

Q

A

N

E

F

F

I

V

V

V

D

D

A

G

G

G

I

T

V

V

active site: G17 (= G24), S139 (= S148), Y152 (= Y161), K156 (= K165)
binding nicotinamide-adenine-dinucleotide: G13 (= G20), R16 (≠ S23), G17 (= G24), M18 (≠ I25), D37 (= D44), I38 (= I45), L39 (vs. gap), L59 (≠ V70), D60 (= D71), V61 (= V72), N87 (= N98), A88 (= A99), G89 (= G100), I90 (≠ K101), I137 (≠ M146), S139 (= S148), Y152 (= Y161), K156 (= K165), P182 (= P191), V185 (= V194), T187 (= T196), P188 (≠ E197), M189 (≠ R198), T190 (≠ Q199)

F1SWA0 Zerumbone synthase; EC 1.1.1.326 from Zingiber zerumbet (Shampoo ginger) (Amomum zerumbet) (see paper)
31% identity, 95% coverage: 11:252/254 of query aligns to 3:255/267 of F1SWA0

query
sites
F1SWA0

L

L

K

E

D

G

N

K

V

V

V

A

F

L

I

V

T

T

G

G

G

A

S

S

G

G

I

I

G

G

E

E

Y

S

L

I

V

A

H

R

H

L

F

F

I

I

K

E

Q

H

G

G

A

A

R

K

V

I

A

C

Y

I

I

V

D

D

I

V

D

Q

E

D

A

E

S

L

S

G

A

Q

L

V

N

S

Q

Q

R

R

L

L

S

G

D

G

E

D

F

P

N

H

V

A

T

C

P

Y

W

F

F

H

R

C

K

D

V

V

D

T

V

V

R

E

D

D

I

-

A

-

A

D

L

V

Q

R

S

R

A

A

I

V

N

D

D

F

A

T

A

A

Q

E

E

K

L

Y

G

G

R

T

L

I

D

D

V

I

L

M

I

V

N

N

A

A

G

G

K

I

D

T

D

G

R

D

H

K

T

V

I

I

E

D

N

I

V

R

T

D

P

A

E

D

Y

F

-

N

-

E

W

F

D

K

N

K

C

V

L

F

N

D

I

I

N

N

M

V

R

N

P

G

H

V

F

F

F

L

G

G

M

M

Q

K

A

H

A

A

K

R

W

I

M

M

-

I

-

P

K

K

E

M

G

K

A

G

S

S

I

I

I

V

N

S

M

L

G

A

S
|
S

I

V

S
|
S

W

S

M

V

R

I

G

A

R

G

A

A

G

G

M

P

V

H

G

G

Y
|
Y

T

T

T

G

S

A

K
|
K

G

H

A

A

I

V

H

V

T

G

M

L

T

T

R

K

T

S

M

V

A

A

R

A

E

E

L

L

G

G

P

R

R

H

G

G

I

I

R

R

V

V

N

N

S

C

I

V

V

S

P

P

G

Y

A

A

V

V

V

P

T

T

E

R

R

L

Q

S

K

M

A

P

L

Y

W

L

L

P

T

E

P

S

E

E

L

M

D

Q

Q

E

E

D

-

A

-

L

-

R

-

G

-

F

-

L

-

T

F

F

I

V

D

R

V

S

Q

N

S

A

-

N

L

L

K

K

-

G

F

V

R

D

I

L

Q

M

P

P

D

N

D

D

I

V

V

A

A

E

M

A

A

V

L

L

F

Y

L

L

A

A

S

T

Q

E

D

E

S

S

R

K

A

Y

C

V

A

S

G

G

Q

L

N

N

F

L

I

V

V

I

D

D

A

G

G

G

S142 (= S148) mutation to A: Strong reduction in oxidoreductase activity toward 8-hydroxy-alpha-humulene and borneol.
S144 (= S150) mutation to A: Increased oxidoreductase activity toward 8-hydroxy-alpha-humulene and borneol.
Y155 (= Y161) mutation to A: Strong reduction in oxidoreductase activity toward 8-hydroxy-alpha-humulene and borneol.
K159 (= K165) mutation to A: Abolishes all oxidoreductase activity.

4nbuB Crystal structure of fabg from bacillus sp (see paper)
33% identity, 96% coverage: 11:254/254 of query aligns to 5:243/244 of 4nbuB

query
sites
4nbuB

L

L

K

Q

D

D

N

K

V

V

V

A

F

I

I

I

T

T

G
|
G

G

A

S
x
N

G
|
G

I
|
I

G

G

E

L

Y

E

L

A

V

A

H

R

H

V

F

F

I

M

K

K

Q

E

G

G

A

A

R

K

V

V

A

V

Y

I

I

A

D
|
D

I
x
F

D

N

E

E

A

A

S

A

S

G

A

-

L

-

N

-

Q

-

R

K

L

E

S

A

D

V

E

E

F

A

N

N

V

P

T

G

P

V

W

V

F

F

R

I

K

R

V
|
V

D
|
D

V
|
V

R

S

D

D

I

R

A

E

A

S

L

V

Q

H

S

R

A

L

I

V

N

E

D

N

A

V

A

A

Q

E

E

R

L

F

G

G

R

K

L

I

D

D

V

I

L

L

I

I

N

N

N
|
N

A
|
A

G
|
G

K
x
I

D

T

D

R

R
x
D

H

S

T

M

I

L

E

S

N
x
K

V

M

T

T

P

V

E

D

Y

Q

W

F

D

Q

N

Q

C

V

L

I

N

N

I

V

N
|
N

M

L

R

T

P

G

H

V

F

F

F

H

G

C

M

T

Q

Q

A

A

A

V

A

L

K

P

W

Y

M

M

K

A

E

E

-

Q

-

G

G

K

A

G

S

K

I

I

N

N

M
x
T

G

S

S
|
S

I

V

S

T

W

G

M

T

R

Y

G

G

R
x
N

A
x
V

G

G

M
x
Q

V

T

G

N

Y
|
Y

T

A

S

A

K
|
K

G

A

A

G

I

V

H

I

T

G

M

M

T

T

R

K

T

T

M

W

A

A

R

K

E

E

L

L

G

A

P

R

R

K

G

G

I

I

R

N

V

V

N

N

S

A

I

V

V

A

P
|
P

G

G

-
x
F

-
x
T

-

E

-
x
T

A

A

V
x
M

V

V

T

A

E

E

R

-

Q

-

K

-

A

-

L

-

W

-

L

-

T

V

P

P

E

E

L

K

D

V

Q

I

E

E

F
x
K

I

M

D

K

V

A

Q

Q

S

V

L

P

K

M

F

G

R

R

I

L

-

G

Q

K

P

P

D

E

D

D

I

I

V

A

A

N

M

A

A

Y

L

L

F

F

L

L

A

A

S

S

Q

H

D

E

S

S

R

D

A

Y

C

V

A

N

G

G

Q

H

N

V

F

L

I

H

V

V

D

D

A

G

G

G

I

I

V

M

active site: G18 (= G24), N111 (= N122), S139 (= S148), Q149 (≠ M158), Y152 (= Y161), K156 (= K165)
binding acetoacetyl-coenzyme a: D93 (≠ R104), K98 (≠ N109), S139 (= S148), N146 (≠ R155), V147 (≠ A156), Q149 (≠ M158), Y152 (= Y161), F184 (vs. gap), M189 (≠ V194), K200 (≠ F212)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G20), N17 (≠ S23), G18 (= G24), I19 (= I25), D38 (= D44), F39 (≠ I45), V59 (= V70), D60 (= D71), V61 (= V72), N87 (= N98), A88 (= A99), G89 (= G100), I90 (≠ K101), T137 (≠ M146), S139 (= S148), Y152 (= Y161), K156 (= K165), P182 (= P191), F184 (vs. gap), T185 (vs. gap), T187 (vs. gap), M189 (≠ V194)

P9WGT1 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase; NADH-dependent 3alpha, 20beta-hydroxysteroid dehydrogenase; EC 1.1.1.53 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (see paper)
34% identity, 96% coverage: 11:254/254 of query aligns to 5:239/260 of P9WGT1

query
sites
P9WGT1

L

L

K
x
I

D

G

N

K

V

V

V

A

F

L

I

V

T

S

G

G

G

A

S
x
R

G
|
G

I
x
M

G

G

E

A

Y

S

L

H

V

V

H

R

H

A

F

M

I

V

K

A

Q

E

G

G

A

A

R

K

V

V

A

V

Y

F

I

G

D
|
D

I

I

-

L

D

D

E

E

A

E

S

-

A

-

L

-

N

G

Q

K

R

A

L
x
V

S

A

D

A

E

E

F

L

N

A

V

D

T

A

P

A

W

R

F

Y

R

V

K

H

V

L

D
|
D

V
|
V

R

T

D

Q

I

P

A

A

A

Q

L

W

Q
x
T

S

A

A

A

I

V

N

D

D

T

A

A

A

V

Q

T

E

A

L

F

G

G

R

G

L

L

D

H

V

V

L

L

I

V

N

N

N
|
N

A

A

G

G

K

I

D

L

D

N

R

I

H

G

T

T

I

I

E

E

N

D

V

Y

T

A

P

L

E

T

Y

E

W

W

D

Q

N

R

C

I

L

L

N

D

I

V

N

N

M

L

R

T

P

G

H

V

F

F

F

L

G

G

M

I

Q

R

A

A

A

V

K

K

W

P

M

M

K

K

E

E

G

A

A

G

-

R

-

G

S

S

I

I

N

N

M

I

G

S

S
|
S

I

I

S

E

W

G

M

L

R

A

G

G

R

T

A

V

G

A

M

C

V

H

G

G

Y
|
Y

T

T

T

A

S

T

K
|
K

G

F

A

A

I

V

H

R

T

G

M

L

T

T

R

K

T

S

M

T

A

A

R

L

E

E

L

L

G

G

P

P

R

S

G

G

I

I

R

R

V

V

N

N

S

S

I

I

V

H

P
|
P

G
|
G

A
x
L

V
|
V

V
x
K

T
|
T

E
x
P

R
x
M

Q
x
T

K

D

A

-

L

-

W

W

L

V

T

P

P

E

E

D

L

I

D

F

Q

Q

E

-

F

-

I

-

D

-

V

-

Q

T

S

A

L

L

K

G

F

R

R

A

I

A

Q

E

P

P

D

V

D

E

I

V

V

S

A

N

M

L

A

V

L

V

F

Y

L

L

A

A

S

S

Q

D

D

E

S

S

R

S

A

Y

C

S

A

T

G

G

Q

A

N

E

F

F

I

V

V

V

D

D

A

G

G

G

I

T

V

V

I6 (≠ K12) mutation to T: Maximal improvement in solubility; when associated with M-47 and K-69.
RGM 17:19 (≠ SGI 23:25) binding NAD(+)
D38 (= D44) binding NAD(+)
V47 (≠ L57) mutation to M: Maximal improvement in solubility; when associated with T-6 and K-69.
DV 61:62 (= DV 71:72) binding NAD(+)
T69 (≠ Q79) mutation to K: Maximal improvement in solubility; when associated with T-6 and M-47.
N88 (= N98) binding NAD(+)
S140 (= S148) mutation to A: Complete loss of both oxidation of androsterone and reduction of progesterone; when associated with T6; M-47 and K-69.
Y153 (= Y161) binding NAD(+); mutation to F: Complete loss of both oxidation of androsterone and reduction of progesterone; when associated with T6; M-47 and K-69.
K157 (= K165) binding NAD(+)
183:191 (vs. 191:199, 44% identical) binding NAD(+)

7v0hG Crystal structure of putative glucose 1-dehydrogenase from burkholderia cenocepacia in complex with NADP and a potential reaction product
33% identity, 98% coverage: 6:253/254 of query aligns to 4:252/253 of 7v0hG

query
sites
7v0hG

N

H

Q

H

Y

M

P

S

S

K

L

L

K

A

D

G

N

K

V

V

V

A

F

I

I

V

T

T

G
|
G

G

A

G
x
S

S
x
K

G
|
G

I
|
I

G

G

E

A

Y

A

L

I

V

A

H

K

H

A

F

L

I

A

K

D

Q

E

G

G

A

A

R

A

V

V

A

V

Y

-

I

-

D

-

I

V

D

N

E

Y

A
|
A

S
|
S

A

K

A

A

L

G

N

A

Q

D

R

A

L

V

S

V

D

S

E

A

F

I

N

T

V

-

T

E

P

A

W

G

F

G

R

R

K

A

V

V

-

A

-

V

-

G

-
x
G

D
|
D

V
|
V

R

S

D

K

I

A

A

A

A

D

L

A

Q

Q

S

R

A

I

I

V

N

D

D

T

A

A

A

I

Q

E

E

T

L

Y

G

G

R

R

L

L

D

D

V

V

L

L

I

V

N

N

N
|
N

A
x
S

G
|
G

K

V

D
x
Y

D

E

R

F

H

A

T

P

I

I

E

E

N

A

V

I

T

T

P

E

E

E

Y

H

W

Y

D

R

N

R

C

Q

L

F

N

D

I

T

N

N

M

V

R

F

P

G

H

V

F

L

G

T

M

T

Q

Q

A

A

A

V

K

K

W

H

M

L

K

G

E

E

G

G

A

A

S

S

I

I

N

N

M
x
I

G

S

S
|
S

I

V

S

V

W

T

M

S

R

I

G

T

R

P

A

P

G

A

M

S

V

A

G

V

Y
|
Y

T

S

T

G

S

T

K
|
K

G

G

A

A

I

V

H

D

T

A

M

I

T

T

R

G

T

V

M

L

A

A

R

L

E

E

L

L

G

G

P

P

R

R

G

K

I

I

R

R

V

V

N

N

S

A

I

I

V

N

P
|
P

G
|
G

A
x
M

V
x
I

V

V

T
|
T

E

E

-
x
G

R
x
T

Q

H

K

S

A

A

L

G

W
x
I

L

I

T

G

P

S

E

D

L

L

D

E

Q

A

E

Q

F

V

I

L

D

G

V

Q

Q

T

S

P

L

L

K

G

F

R

R

L

I

G

Q

E

P

P

D

N

D

D

I

I

V

A

A

S

M

V

A

A

L

V

F

F

L

L

A

A

S

S

Q

D

D

D

S

A

R

R

A

W

C

M

A

T

G

G

Q

E

N

H

F

L

I

V

V

V

D

S

A

G

G

G

I

L

binding nadp nicotinamide-adenine-dinucleotide phosphate: G18 (= G20), S20 (≠ G22), K21 (≠ S23), G22 (= G24), I23 (= I25), A43 (= A48), S44 (= S49), S45 (= S50), G68 (vs. gap), D69 (= D71), V70 (= V72), N96 (= N98), S97 (≠ A99), G98 (= G100), Y100 (≠ D102), I144 (≠ M146), S146 (= S148), Y159 (= Y161), K163 (= K165), P189 (= P191), G190 (= G192), M191 (≠ A193), I192 (≠ V194), T194 (= T196), G196 (vs. gap), T197 (≠ R198)
binding (2R)-2-(hydroxymethyl)pentanedioic acid: S146 (= S148), Y159 (= Y161), M191 (≠ A193), I202 (≠ W203)

5jydB Crystal structure of a putative short chain dehydrogenase from burkholderia cenocepacia
32% identity, 94% coverage: 16:253/254 of query aligns to 50:289/292 of 5jydB

query
sites
5jydB

V

T

F

L

I

V

T

T

G
|
G

G

G

G
x
D

S
|
S

G
|
G

I
|
I

G

G

E

R

Y

A

L

A

V

A

H

I

H

A

F

F

I

A

K

R

Q

E

G

G

A

A

R

D

V

V

A

A

-

I

-

G

Y

Y

I
x
L

D

P

I

V

D
x
E

E

E

A

S

S

D

S

A

-

R

-

E

-

V

A

V

A

A

L

L

N

I

Q

R

R

A

L

A

S

G

D

R

E

Q

F

A

N

V

V

A

T

L

P

P

W

G

F

-

R

-

K

-

V

-

D
|
D

V
x
I

R

R

D

D

I

E

A

T

A

F

L

C

Q

Q

S

R

A

L

I

V

N

A

D

R

A

A

Q

E

E

A

L

L

G

G

R

G

L

L

D

D

V

I

L

L

I

V

N

N

N
|
N

A
|
A

G
x
A

K

R

D

Q

R

A

-

L

H

D

T

S

I

I

E

G

N

E

V

M

T

T

P

T

E

E

Y

H

W

F

D

D

N

A

C

T

L

V

N

K

I

T

N

N

M

L

R

Y

P

G

H

M

F

F

F

W

G

I

M

T

Q

K

A

A

A

I

K

P

W

H

M

L

K

P

E

P

G

G

A

A

S

S

I

I

N

N

M
x
T

G

T

S
|
S

I

V

S

Q

W

A

M

V

R

R

G

A

R

S

A

A

G

N

M
x
L

V

L

G

D

Y
|
Y

T

A

T

T

S

T

K
|
K

G

A

A

G

I

I

H

I

T

A

M

F

T

T

R

R

T

S

M

L

A

A

R

K

E

Q

L

L

G

G

P

P

R

R

G

G

I

I

R

R

V

V

N

N

S

A

I

V

V

A

P
|
P

G
|
G

A
x
P

V
x
Y

V

W

T
|
T

E

P

R
x
L

Q
|
Q

K

S

A

S

L

G

W

G

L

Q

T

P

P
|
P

E

E

L

T

D

V

Q

V

E

N

F

Y

I

A

D

A

V

G

Q

S

S

P

L

Y

K

G

F

R

R

P

I

G

Q

Q

P

P

D

A

D

E

I

I

V

A

A

P

M

L

A

Y

L

V

F

A

L

L

A

A

S

A

Q

S

D

E

S

T

R

S

A

Y

C

A

A

N

G

G

Q

Q

N

V

F

W

I

G

V

A

D

D

A

G

G

G

I

L

active site: G58 (= G24), S184 (= S148), L194 (≠ M158), Y197 (= Y161), K201 (= K165), P242 (= P206)
binding magnesium ion: D56 (≠ G22), S57 (= S23), E82 (≠ D46)
binding nicotinamide-adenine-dinucleotide: G54 (= G20), D56 (≠ G22), S57 (= S23), G58 (= G24), I59 (= I25), L79 (≠ I43), E82 (≠ D46), D106 (= D71), I107 (≠ V72), N133 (= N98), A134 (= A99), A135 (≠ G100), T182 (≠ M146), S184 (= S148), Y197 (= Y161), K201 (= K165), P227 (= P191), G228 (= G192), P229 (≠ A193), Y230 (≠ V194), T232 (= T196), L234 (≠ R198), Q235 (= Q199)

Q9C826 Xanthoxin dehydrogenase; Protein ABSCISIC ACID DEFICIENT 2; Protein GLUCOSE INSENSITIVE 1; Protein IMPAIRED SUCROSE INDUCTION 4; Protein SALOBRENO 3; Protein SALT RESISTANT 1; Protein SUGAR INSENSITIVE 4; Short-chain alcohol dehydrogenase ABA2; Short-chain dehydrogenase reductase 1; AtSDR1; Xanthoxin oxidase; EC 1.1.1.288 from Arabidopsis thaliana (Mouse-ear cress) (see 3 papers)
34% identity, 96% coverage: 11:253/254 of query aligns to 18:274/285 of Q9C826

query
sites
Q9C826

L

L

K

L

D

G

N

K

V

V

V

A

F

L

I

I

T

T

G

G

G
|
G

G

A

S

T

G

G

I

I

G

G

E

E

Y

S

L

I

V

V

H

R

H

L

F

F

I

H

K

K

Q

H

G

G

A
|
A

R

K

V

V

A

C

Y

I

I

V

D

D

I

L

-

Q

D

D

E

D

A

L

S

G

A

E

A

V

L

C

N

K

Q

S

R

L

L

L

S

R

D

G

E

E

F

S

N

K

V

E

T

T

P

A

W

F

F

F

R

I

K

H

V

G

D

D

V

V

R

R

D

V

I

E

A

D

L

I

Q

S

S

N

A

A

I

V

N

D

D

F

A

A

A

V

Q

K

E

N

L

F

G

G

R

T

L

L

D

D

V

I

L

L

I

I

N

N

A

A

G

G

K

L

D

C

D

G

R

A

H

P

T

C

-

P

-

D

I

I

E

R

N

N

V

Y

T

S

P

L

E

S

Y

E

W

F

D

E

N

M

C

T

L

F

N

D

I

V

N

N

M

V

R

K

P

G

H

A

F

F

F

L

G

S

M

M

Q

K

A

H

A

A

K
x
R

W

V

M

M

-

I

-

P

K

E

E

K

G

K

A

G

S

S

I

I

I

V

N

S

M

L

G

C

S

S

I

V

S
x
G

W

G

M

V

R

V

G

G

R

G

A

V

G

G

M

P

V

H

G

S

Y

Y

T

V

T

G

S
|
S

K

K

G

H

A

A

I

V

H

L

T

G

M

L

T

T

R

R

T

S

M

V

A

A

R

A

E

E

L

L

G

G

P

Q

R

H

G

G

I

I

R

R

V

V

N

N

S

C

I

V

V

S

P

P

G

Y

A

A

V

V

V

A

T

T

E

-

R

-

Q

K

K

L

A

A

L

L

W

A

L

H

T

L

P

P

E

E

-

E

-

R

L

T

D

E

Q

D

E

A

F

F

I

V

D

G

V

F

Q

R

S

N

L

F

K

A

-

A

-

N

-
x
A

-

N

-

L

-

K

-

G

F

V

R

E

I

L

Q

T

P

V

D

D

I

V

V

A

A

N

M

A

A

V

L

L

F

F

L

L

A

A

S

S

Q

D

D

D

S

S

R

R

A

Y

C

I

A
x
S

G

G

Q

D

N

N

F

L

I

M

V

I

D

D

A

G

G

G

I

F

G28 (= G21) mutation to R: In aba2-12/sre1-2; reduced absicic acid synthesis.
A45 (= A38) mutation to V: In aba2-4/sis4-2; reduced absicic acid synthesis.
R145 (≠ K135) mutation to C: In gin1-2; reduced absicic acid synthesis.
G162 (≠ S150) mutation to R: In aba2-3/sis4-1; reduced absicic acid synthesis.
S176 (= S164) mutation to F: In aba2-13/san3-1; reduced absicic acid synthesis.
A236 (vs. gap) mutation to V: In isi4; reduced absicic acid synthesis.
S264 (≠ A243) mutation to N: In aba2-1; reduced absicic acid synthesis.

7pcsB Structure of the heterotetrameric sdr family member bbscd (see paper)
34% identity, 95% coverage: 11:252/254 of query aligns to 2:241/247 of 7pcsB

query
sites
7pcsB

L

I

K

Q

D

N

N

R

V

V

V

A

F

L

I

I

T

T

G
|
G

G

S

G

A

S

S

G

G

I
x
M

G

G

E

K

Y

Q

L

T

V

A

H

L

H

R

F

F

I

A

K

E

Q

Q

G

G

A

A

R

A

V

V

A

V

Y

I

I

N

D
|
D

I
|
I

D

D

E

A

A

E

S

K

S

V

A

R

A

A

L

T

N

-

Q

-

R

-

L

-

S

V

D

D

E

E

F

F

N

S

V

A

T

R

P

G

W

H

F

R

R

V

K

L

V

G

D

A

V

V

R

A

D

D

I
|
I

-

G

-

N

-

K

A

A

L

V

Q

D

S

G

A

M

I

V

N

K

D

Q

A

T

A

I

Q

D

E

A

L

F

G

G

R

R

L

I

D

D

V

I

L

L

I

V

N

N

N
|
N

A

A

G
|
G

K

M

D

E

D

R

R

A

H

G

T

A

I

L

E

R

N

K

V

L

T

S

P

E

E

A

Y

D

W

W

D

D

N

V

C

T

L

I

N

N

I

V

N

N

M

L

R

K

P

G

H

T

F

F

F

L

G

C

M

T

Q

Q

A

A

A

V

A

H

K

G

W

H

M

M

K

V

E

E

G

N

-

K

-

H

A

G

S

R

I

I

I

V

N

N

M
x
I

G

A

S
|
S

I

R

S

A

W

W

M

L

R

-

G

G

R

G

A

A

G

G

M

Q

V

T

G

P

Y
|
Y

T

S

S

A

K
|
K

G

A

A

G

I

V

H

V

T

G

M

M

T

T

R

R

T

A

M

L

A

A

R

I

E

E

L

L

G

G

P

R

R

A

G

G

I

I

R

T

V

V

N

N

S

C

I

V

V

A

P

P

G

G

A

L

V
x
I

V

H

T

T

E

P

R

M

Q

W

K

D

A

E

L

L

W

-

L

-

T

-

P

P

E

E

L

K

D

D

Q

Q

E

Q

F

F

I

L

D

L

V

S

Q

R

S

Q

L

P

K

T

F

G

R

K

I

L

-

G

Q

E

P

P

D

D

I

I

V

A

A

N

M

T

A

L

L

L

F

F

L

L

A

A

S

D

Q

D

D

D

S

S

R

G

A

F

C

V

A

T

G

G

Q

Q

N

V

F

L

I

Y

V

V

D

C

A

G

G

G

binding nicotinamide-adenine-dinucleotide: G11 (= G20), M16 (≠ I25), D35 (= D44), I36 (= I45), I62 (= I75), N88 (= N98), G90 (= G100), I138 (≠ M146), S140 (= S148), Y152 (= Y161), K156 (= K165), I185 (≠ V194)

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)
34% identity, 95% coverage: 11:252/254 of query aligns to 3:242/248 of Q9KJF1

query
sites
Q9KJF1

L

I

K

Q

D

N

N

R

V

V

V

A

F

L

I

I

T

T

G

G

G

S

G

A

S
|
S

G

G

I

M

G

G

E

K

Y

Q

L

T

V

A

H

L

H

R

F

F

I

A

K

E

Q

Q

G

G

A

A

R

A

V

V

A

V

Y

I

I

N

D
|
D

I

I

D

D

E

A

A

E

S

K

S

V

A

R

A

A

L

T

N

-

Q

-

R

-

L

-

S

V

D

D

E

E

F

F

N

S

V

A

T

R

P

G

W

H

F

R

R

V

K

L

V

G

D

A

V

V

R

A

D
|
D

I
|
I

-

G

-

N

-

K

A

A

L

V

Q

D

S

G

A

M

I

V

N

K

D

Q

A

T

A

I

Q

D

E

A

L

F

G

G

R

R

L

I

D

D

V

I

L

L

I

V

N

N

N
|
N

A

A

G

G

K

M

D

E

D

R

R

A

H

G

T

A

I

L

E

R

N

K

V

L

T

S

P

E

E

A

Y

D

W

W

D

D

N

V

C

T

L

I

N

N

I

V

N

N

M

L

R

K

P

G

H

T

F

F

F

L

G

C

M

T

Q

Q

A

A

A

V

A

H

K

G

W

H

M

M

K

V

E

E

G

N

-

K

-

H

A

G

S

R

I

I

I

V

N

N

M

I

G

A

S

S

I

R

S

A

W

W

M

L

R

-

G

G

R

G

A

A

G

G

M

Q

V

T

G

P

Y
|
Y

T

S

S

A

K
|
K

G

A

A

G

I

V

H

V

T

G

M

M

T

T

R

R

T

A

M

L

A

A

R

I

E

E

L

L

G

G

P

R

R

A

G

G

I

I

R

T

V

V

N

N

S

C

I

V

V

A

P

P

G

G

A

L

V

I

V

H

T

T

E

P

R

M

Q

W

K

D

A

E

L

L

W

-

L

-

T

-

P

P

E

E

L

K

D

D

Q

Q

E

Q

F

F

I

L

D

L

V

S

Q

R

S

Q

L

P

K

T

F

G

R

K

I

L

-

G

Q

E

P

P

D

D

I

I

V

A

A

N

M

T

A

L

L

L

F

F

L

L

A

A

S

D

Q

D

D

D

S

S

R

G

A

F

C

V

A

T

G

G

Q

Q

N

V

F

L

I

Y

V

V

D

C

A

G

G

G

S15 (= S23) binding NAD(+)
D36 (= D44) binding NAD(+)
D62 (= D74) binding NAD(+)
I63 (= I75) binding NAD(+)
N89 (= N98) binding NAD(+)
Y153 (= Y161) binding NAD(+)
K157 (= K165) binding NAD(+)

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

5itvA Crystal structure of bacillus subtilis bacc dihydroanticapsin 7- dehydrogenase in complex with nadh (see paper)
33% identity, 96% coverage: 10:252/254 of query aligns to 4:251/255 of 5itvA

query
sites
5itvA

S

N

L

L

K

T

D

D

N

K

V

T

V

V

F

L

I

I

T

T

G
|
G

G

G

G

A

S
|
S

G
|
G

I
|
I

G

G

E

Y

Y

A

L

A

V

V

H

Q

H

A

F

F

I

L

K

G

Q

Q

G

Q

A

A

R

N

V

V

A

V

Y

V

I

A