SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing 16923 b2842 2-deoxy-D-gluconate 3-dehydrogenase (NCBI) 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)

4za2D Crystal structure of pectobacterium carotovorum 2-keto-3-deoxy-d- gluconate dehydrogenase complexed with NAD+ (see paper)
82% identity, 100% coverage: 1:253/253 of query aligns to 1:247/247 of 4za2D

query
sites
4za2D

M

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binding nicotinamide-adenine-dinucleotide: G17 (= G17), D19 (= D19), T20 (= T20), G21 (= G21), L22 (= L22), I42 (= I42), A64 (= A64), D65 (= D65), M66 (≠ L66), N92 (= N92), A93 (= A93), G94 (= G94), I95 (≠ L95), L115 (= L115), I143 (= I143), A144 (= A144), S145 (= S145), Y158 (= Y158), K162 (= K162), P188 (= P188), G189 (= G189), Y190 (= Y190), M191 (= M191), T193 (= T193), N194 (= N194), N195 (= N195), T196 (= T196)

4hp8B Crystal structure of a putative 2-deoxy-d-gluconate 3-dehydrogenase from agrobacterium tumefaciens (target efi-506435) with bound NADP
56% identity, 98% coverage: 6:253/253 of query aligns to 4:246/246 of 4hp8B

query
sites
4hp8B

F

F

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S

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E

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active site: G19 (= G21), S138 (= S145), V148 (= V155), Y151 (= Y158), K155 (= K162)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G17), N17 (≠ D19), T18 (= T20), G19 (= G21), L20 (= L22), R40 (≠ I42), R41 (≠ V43), I62 (≠ A64), D63 (= D65), F64 (≠ L66), N85 (= N92), A86 (= A93), G87 (= G94), I88 (≠ L95), V108 (≠ L115), I136 (= I143), A137 (= A144), S138 (= S145), Y151 (= Y158), K155 (= K162), P181 (= P188), G182 (= G189), Y183 (= Y190), I184 (≠ M191), T186 (= T193), N188 (= N195), T189 (= T196)

3uf0A Crystal structure of a putative NAD(p) dependent gluconate 5- dehydrogenase from beutenbergia cavernae(efi target efi-502044) with bound NADP (low occupancy)
45% identity, 98% coverage: 6:252/253 of query aligns to 3:248/249 of 3uf0A

query
sites
3uf0A

F

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active site: G18 (= G21), S141 (= S145), V151 (= V155), Y154 (= Y158), K158 (= K162)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G14 (= G17), S17 (≠ T20), G18 (= G21), I19 (≠ L22), G38 (≠ N41), R39 (≠ I42), T40 (≠ V43), A62 (= A64), D63 (= D65), L64 (= L66), A65 (≠ R67), N89 (= N92), A90 (= A93), G91 (= G94), I92 (≠ L95), V112 (≠ L115), I139 (= I143), A140 (= A144), S141 (= S145), Y154 (= Y158), K158 (= K162), P184 (= P188), G185 (= G189), Y186 (= Y190), V187 (≠ M191), T189 (= T193), N191 (= N195), T192 (= T196)

4jroC Crystal structure of 3-oxoacyl-[acyl-carrier protein]reductase (fabg) from listeria monocytogenes in complex with NADP+
39% identity, 97% coverage: 6:251/253 of query aligns to 1:246/247 of 4jroC

query
sites
4jroC

F

M

S

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K

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active site: G16 (= G21), S142 (= S145), Q152 (≠ V155), Y155 (= Y158), K159 (= K162)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G17), S14 (≠ D19), R15 (≠ T20), G16 (= G21), I17 (≠ L22), N35 (= N41), Y36 (≠ I42), N37 (≠ V43), G38 (≠ E44), S39 (≠ P45), A62 (= A64), N63 (≠ D65), V64 (≠ L66), N90 (= N92), A91 (= A93), G92 (= G94), I93 (≠ L95), I113 (≠ L115), A141 (= A144), S142 (= S145), Y155 (= Y158), K159 (= K162), P185 (= P188), G186 (= G189), I188 (≠ M191), T190 (= T193)

5u9pB Crystal structure of a gluconate 5-dehydrogenase from burkholderia cenocepacia j2315 in complex with NADP and tartrate
42% identity, 98% coverage: 3:249/253 of query aligns to 9:256/261 of 5u9pB

query
sites
5u9pB

L

L

S

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A

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G

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A

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C

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A

I

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G

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-
x
V

-

A

-

E

-

H

-

A

G

Q

I

V

P

R

A

A

L

A

L

I

D

D

R

E

A

F

V

E

A

A

E

R

F

V

G

G

H

A

I

I

D

D

I

I

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

L
x
I

I

Q

R

R

R

R

E

A

D

P

A

L

L

D

E

A

F

F

S

E

E

P

K

D

D

D

W

W

D

H

D

A

V

L

M

M

N

R

L
x
V

N

N

I

L

K

D

S

G

V

V

F

F

F

N

M

V

S

A

Q

Q

A

A

A

V

A

A

K

R

H

H

F

M

I

I

A

A

Q

R

G

G

N

H

G

G

G

-

K

K

I

I

I

I

N

N

I
|
I

A
x
C

S
|
S

M

V

L

Q

S

S

F

E

Q

L

G

A

G

R

I

P

R

T

V

I

P

A

S

P

Y
|
Y

T

A

A

A

S

T

K
|
K

S

G

G

A

V

V

M

R

G

M

V

L

T

T

R

K

L

G

M

M

A

C

N

A

E

D

W

W

A

A

K

R

H

Y

N

G

I

I

N

Q

V

A

N

N

A

G

I

L

A

A

P
|
P

G
|
G

Y
|
Y

M
x
F

A

E

T
|
T

N

E

N
x
L

T
x
N

Q

R

Q

A

L

L

R

V

A

D

D

D

E

A

Q

A

R

F

S

S

A

D

E

W

I

L

L

C

D

K

R

R

I

T

P

P

A

A

G

G

R

R

W

W

G

G

L

Q

P

V

S

D

D

E

L

L

M

C

G

G

P

A

I

A

V

I

F

F

L

L

A

A

S

S

S

A

A

A

S

S

D

D

Y

F

V

V

N

N

G

G

Y

Q

T

T

I

L

A

F

V

V

D

D

G

G

G

G

active site: G27 (= G21), S152 (= S145), Y165 (= Y158), K169 (= K162)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G23 (= G17), R26 (≠ T20), G27 (= G21), I28 (≠ L22), R48 (≠ P45), F72 (≠ I69), D73 (= D70), V74 (vs. gap), N100 (= N92), A101 (= A93), G102 (= G94), I103 (≠ L95), V123 (≠ L115), I150 (= I143), C151 (≠ A144), S152 (= S145), Y165 (= Y158), K169 (= K162), P195 (= P188), G196 (= G189), Y197 (= Y190), F198 (≠ M191), T200 (= T193), L202 (≠ N195), N203 (≠ T196)

3o03A Quaternary complex structure of gluconate 5-dehydrogenase from streptococcus suis type 2 (see paper)
41% identity, 99% coverage: 3:252/253 of query aligns to 4:248/254 of 3o03A

query
sites
3o03A

L

L

S

D

A

Q

F

F

S

S

L

L

E

K

G

G

K

K

V

I

A

A

V

L

V

V

T

T

G
|
G

C

A

D

S

T
x
Y

G
|
G

L
x
I

G

G

Q

F

G

A

M

I

A

A

L

S

G

A

L

Y

A

A

Q

K

A

A

G

G

C

A

D

T

I

I

V

V

-

F

-

N

G
x
D

I
|
I

N

N

I

Q

V

E

E
x
L

P

V

T

D

E

R

T

G

I

M

E

A

Q

A

V

Y

T

K

A

A

L

A

G

G

R

I

R

N

F

A

L

H

S

G

L

Y

T

V

A
x
C

D
|
D

L
x
V

R

T

K

D

I

E

D

D

G

G

I

I

P

Q

A

A

L

M

L

V

D

A

R

Q

A

I

V

E

A

S

E

E

F

V

G

G

H

I

I

I

D

D

I

I

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

L
x
I

I
|
I

R

R

R
|
R

E

V

D

P

A

M

L

I

E

E

F

M

S

T

E

A

K

A

D

Q

W

F

D

R

D

Q

V

V

M

I

N

D

L
x
I

N

D

I

L

K

N

S

A

V

P

F

F

F

I

M

V

S

S

Q

K

A

A

A

V

A

I

K

P

H

S

F

M

I

I

A

K

Q

K

G

G

N

H

G

G

G

-

K

K

I

I

I

I

N

N

I
|
I

A
x
C

S
|
S

M
|
M

L
x
M

S

S

F

E

Q

L

G

G

G
x
R

I

E

R

T

V
|
V

P

S

S

A

Y
|
Y

T

A

A

A

S

A

K
|
K

S

G

G

G

V

L

M

K

G

M

V

L

T

T

R

K

L

N

M

I

A

A

N

S

E

E

W

Y

A

G

K

E

H

A

N

N

I

I

N

Q

V

C

N

N

A

G

I

I

A

G

P
|
P

G
|
G

Y

Y

M
x
I

A

A

T
|
T

N

P

N

Q

T

T

Q

H

Q

P

L

F

R

-

A

-

D

-

E

-

Q

-

R

-

S

D

A

Q

E

F

I

I

L

I

D

A

R

K

I

T

P

P

A

A

G

A

R

R

W

W

G

G

L

E

P

A

S

E

D

D

L

L

M

M

G

G

P

P

I

A

V

V

F

F

L

L

A

A

S

S

S

D

A

A

S

S

D

N

Y

F

V

V

N

N

G

G

Y

H

T

I

I

L

A

Y

V

V

D

D

G

G

G

G

W

I

L

L

A

A

active site: G22 (= G21), S147 (= S145), V157 (= V155), Y160 (= Y158), K164 (= K162)
binding calcium ion: S147 (= S145), M148 (= M146), P190 (= P188), G191 (= G189)
binding D-gluconic acid: I99 (= I96), R101 (= R98), S147 (= S145), M149 (≠ L147), R154 (≠ G152), V157 (= V155), Y160 (= Y158)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G18 (= G17), Y21 (≠ T20), G22 (= G21), I23 (≠ L22), D42 (≠ G39), I43 (= I40), L47 (≠ E44), C67 (≠ A64), D68 (= D65), V69 (≠ L66), N95 (= N92), A96 (= A93), G97 (= G94), I98 (≠ L95), I118 (≠ L115), I145 (= I143), C146 (≠ A144), Y160 (= Y158), K164 (= K162), P190 (= P188), I193 (≠ M191), T195 (= T193)

1vl8B Crystal structure of gluconate 5-dehydrogenase (tm0441) from thermotoga maritima at 2.07 a resolution
37% identity, 98% coverage: 6:252/253 of query aligns to 2:251/252 of 1vl8B

query
sites
1vl8B

F

F

S

D

L

L

E

R

G

G

K

R

V

V

A

A

V

L

V

V

T

T

G
|
G

C

G

D
x
S

T
x
R

G
|
G

L
|
L

G

G

Q

F

G

G

M

I

A

A

L

Q

G

G

L

L

A

A

Q

E

A

A

G

G

C

C

D

S

I

V

V

V

-

V

-

A

G
x
S

I
x
R

N
|
N

I

L

V

E

E

E

P

A

T

S

E

E

T

A

I

A

E

Q

Q

K

V

L

T

T

-

E

A

K

L

Y

G

G

R

V

R

E

F

T

L

M

S

A

L

F

T

R

A
x
C

D
|
D

L
x
V

R

S

K

N

I

Y

D

E

G

E

I

V

P

K

A

K

L

L

L

L

D

E

R

A

A

V

V

K

A

E

E

K

F

F

G

G

H

K

I

L

D

D

I

T

L

V

V

V

N

N

N
x
A

A
|
A

G
|
G

L
x
I

I

N

R

R

R

R

E

H

D

P

A

A

L

E

E

E

F

F

S

P

E

L

K

D

D

E

W

F

D

R

D

Q

V

V

M

I

N

E

L
x
V

N

N

I

L

K

F

S

G

V

T

F

Y

F

Y

M

V

S

C

Q

R

A

E

A

A

A

F

K

-

H

S

F

L

I

L

A

R

Q

E

G

S

N

D

G

N

G

P

K

S

I

I

I

I

N

N

I
|
I

A
x
G

S
|
S

M

L

L

T

S

V

F

E

Q

E

G

V

G

T

I

M

-

P

R

N

V
x
I

P

S

S

A

Y
|
Y

T

A

A

A

S

S

K
|
K

S

G

G

G

V

V

M

A

G

S

V

L

T

T

R

K

L

A

M

L

A

A

N

K

E

E

W

W

A

G

K

R

H

Y

N

G

I

I

N

R

V

V

N

N

A

V

I

I

A

A

P
|
P

G
|
G

Y
x
W

M
x
Y

A

R

T
|
T

N
x
K

N
x
M

T
|
T

Q

E

Q

A

L

V

R

F

A

S

D

D

E

P

Q

E

R

K

S

L

A

D

E

Y

I

M

L

L

D

K

R

R

I

I

P

P

A

L

G

G

R

R

W

T

G

G

L

V

P

P

S

E

D

D

L

L

M

K

G

G

P

V

I

A

V

V

F

F

L

L

A

A

S

S

S

E

A

E

S

A

D

K

Y

Y

V

V

N

T

G

G

Y

Q

T

I

I

I

A

F

V

V

D

D

G

G

G

G

W

W

L

T

A

A

active site: G17 (= G21), S143 (= S145), I154 (≠ V155), Y157 (= Y158), K161 (= K162)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G17), S15 (≠ D19), R16 (≠ T20), G17 (= G21), L18 (= L22), S37 (≠ G39), R38 (≠ I40), N39 (= N41), C63 (≠ A64), D64 (= D65), V65 (≠ L66), A91 (≠ N92), A92 (= A93), G93 (= G94), I94 (≠ L95), V114 (≠ L115), I141 (= I143), G142 (≠ A144), S143 (= S145), Y157 (= Y158), K161 (= K162), P187 (= P188), G188 (= G189), W189 (≠ Y190), Y190 (≠ M191), T192 (= T193), K193 (≠ N194), M194 (≠ N195), T195 (= T196)

1edoA The x-ray structure of beta-keto acyl carrier protein reductase from brassica napus complexed with NADP+ (see paper)
37% identity, 94% coverage: 12:249/253 of query aligns to 3:241/244 of 1edoA

query
sites
1edoA

V

V

A

V

V

V

V

V

T

T

G
|
G

C

A

D
x
S

T
x
R

G
|
G

L
x
I

G

G

Q

K

G

A

M

I

A

A

L

L

G

S

L

L

A

G

Q

K

A

A

G

G

C

C

D

K

I

V

V

L

G

-

I

V

N
|
N

I
x
Y

V
x
A

E
x
R

P
x
S

T

A

E

K

T

A

I

A

E

E

Q

E

V

V

T

S

-

K

-

Q

-

I

-

E

A

A

L

Y

G

G

R

G

R

Q

F

A

L

I

S

T

L

F

T

G

A
x
G

D
|
D

L
x
V

R

S

K

K

I

E

D

A

G

D

I

V

P

E

A

A

L

M

L

M

D

K

R

T

A

A

V

I

A

D

E

A

F

W

G

G

H

T

I

I

D

D

I

V

L

V

V

V

N

N

N
|
N

A
|
A

G
|
G

L
x
I

I

T

R

R

R

D

E

T

D

L

A

L

L

I

E

R

F

M

S

K

E

K

K

S

D

Q

W

W

D

D

D

E

V

V

M

I

N

D

L
|
L

N

N

I

L

K

T

S

G

V

V

F

F

F

L

M

C

S

T

Q

Q

A

A

A

A

A

T

K

K

H

I

F

M

I

M

A

K

Q

K

G

-

N

R

G

K

G

G

K

R

I

I

I

I

N

N

I
|
I

A
|
A

S
|
S

M

V

L

V

S

G

F

L

Q

I

G

G

G

N

I

I

R

G

V

Q

P

A

S

N

Y
|
Y

T

A

A

A

S

A

K
|
K

S

A

G

G

V

V

M

I

G

G

V

F

T

S

R

K

L

T

M

A

A

A

N

R

E

E

W

G

A

A

K

S

H

R

N

N

I

I

N

N

V

V

N

N

A

V

I

V

A

C

P
|
P

G
|
G

Y
x
F

M
x
I

A

A

T
x
S

N
x
D

N
x
M

T

T

Q

A

Q

K

L

L

R

G

A

E

D

D

E

M

Q

E

R

K

S

-

A

-

E

K

I

I

L

L

D

G

R

T

I

I

P

P

A

L

G

G

R

R

W

T

G

G

L

Q

P

P

S

E

D

N

L

V

M

A

G

G

P

L

I

V

V

E

F

F

L

L

A

A

-

L

S

S

S

P

A

A

S

A

D

S

Y

Y

V

I

N

T

G

G

Y

Q

T

A

I

F

A

T

V

I

D

D

G

G

G

G

active site: G12 (= G21), S138 (= S145), Y151 (= Y158), K155 (= K162)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G17), S10 (≠ D19), R11 (≠ T20), G12 (= G21), I13 (≠ L22), N31 (= N41), Y32 (≠ I42), A33 (≠ V43), R34 (≠ E44), S35 (≠ P45), G58 (≠ A64), D59 (= D65), V60 (≠ L66), N86 (= N92), A87 (= A93), G88 (= G94), I89 (≠ L95), L109 (= L115), I136 (= I143), A137 (= A144), S138 (= S145), Y151 (= Y158), K155 (= K162), P181 (= P188), G182 (= G189), F183 (≠ Y190), I184 (≠ M191), S186 (≠ T193), D187 (≠ N194), M188 (≠ N195)

3op4A Crystal structure of putative 3-ketoacyl-(acyl-carrier-protein) reductase from vibrio cholerae o1 biovar eltor str. N16961 in complex with NADP+ (see paper)
37% identity, 96% coverage: 6:249/253 of query aligns to 4:243/247 of 3op4A

query
sites
3op4A

F

M

S

N

L

L

E

E

G

G

K

K

V

V

A

A

V

L

V

V

T

T

G
|
G

C

A

D
x
S

T
x
R

G
|
G

L
x
I

G

G

Q

K

G

A

M

I

A

A

L

E

G

L

L

L

A

A

Q

E

A

R

G

G

C

A

D

K

I

V

V

I

G

G

I

-

N

-

I

-

V

T

E
x
A

P
x
T

T

S

E

E

T

S

I

G

E

A

Q

Q

V

A

T

I

A

S

-

D

-

Y

L

L

G

G

R

D

R

N

F

G

L

K

S

G

L

M

T

A

A
x
L

D
x
N

L
x
V

R

T

K

N

I

P

D

E

G

S

I

I

P

E

A

A

L

V

L

L

D

K

R

A

A

I

V

T

A

D

E

E

F

F

G

G

H

G

I

V

D

D

I

I

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

L
x
I

I

T

R

R

R

D

E

N

D

L

A

L

L

M

E

R

F

M

S

K

E

E

K

E

D

E

W

W

D

S

D

D

V

I

M

M

N

E

L
x
T

N

N

I

L

K

T

S

S

V

I

F

F

F

R

M

L

S

S

Q

K

A

A

A

V

A

L

K

R

H

G

F

M

I

M

A

K

Q

K

G

-

N

R

G

Q

G

G

K

R

I

I

I

I

N

N

I
x
V

A
x
G

S
|
S

M

V

L

V

S

G

F

T

Q

M

G

G

G

N

I

A

R

G

V

Q

P

A

S

N

Y
|
Y

T

A

A

A

S

A

K
|
K

S

A

G

G

V

V

M

I

G

G

V

F

T

T

R

K

L

S

M

M

A

A

N

R

E

E

W

V

A

A

K

S

H

R

N

G

I

V

N

T

V

V

N

N

A

T

I

V

A

A

P
|
P

G
|
G

Y
x
F

M
x
I

A

E

T
|
T

N
x
D

N
x
M

T

T

Q

K

Q

A

L

L

R

N

A

-

D

D

E

E

Q

Q

R

R

S

T

A

A

E

-

I

T

L

L

D

A

R

Q

I

V

P

P

A

A

G

G

R

R

W

L

G

G

L

D

P

P

S

R

D

E

L

I

M

A

G

S

P

A

I

V

V

A

F

F

L

L

A

A

S

S

S

P

A

E

S

A

D

A

Y

Y

V

I

N

T

G

G

Y

E

T

T

I

L

A

H

V

V

D

N

G

G

G

G

binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G17), S17 (≠ D19), R18 (≠ T20), G19 (= G21), I20 (≠ L22), A39 (≠ E44), T40 (≠ P45), L61 (≠ A64), N62 (≠ D65), V63 (≠ L66), N89 (= N92), A90 (= A93), G91 (= G94), I92 (≠ L95), T112 (≠ L115), V139 (≠ I143), G140 (≠ A144), S141 (= S145), Y154 (= Y158), K158 (= K162), P184 (= P188), G185 (= G189), F186 (≠ Y190), I187 (≠ M191), T189 (= T193), D190 (≠ N194), M191 (≠ N195)

3osuA Crystal structure of the 3-oxoacyl-acyl carrier protein reductase, fabg, from staphylococcus aureus
36% identity, 94% coverage: 11:249/253 of query aligns to 5:243/246 of 3osuA

query
sites
3osuA

K

K

V

S

A

A

V

L

V

V

T

T

G

G

C

A

D

S

T

R

G
|
G

L

I

G

G

Q

R

G

S

M

I

A

A

L

L

G

Q

L

L

A

A

Q

E

A

E

G

G

C

Y

D

N

I

-

V

V

G

A

I

V

N

N

I

Y

V

A

E

G

P

S

T

K

E

E

-

K

-

A

-

E

-

A

T

V

I

V

E

E

Q

E

V

I

T

K

A

A

L

K

G

G

R

V

R

D

F

S

L

F

S

A

L

I

T

Q

A

A

D

N

L

V

R

A

K

D

I

A

D

D

G

E

I

V

P

K

A

A

L

M

L

I

D

K

R

E

A

V

V

V

A

S

E

Q

F

F

G

G

H

S

I

L

D

D

I

V

L

L

V

V

N

N

N
|
N

A

A

G

G

L

I

I

T

R

R

R

D

E

N

D

L

A

L

L

M

E

R

F

M

S

K

E

E

K

Q

D

E

W

W

D

D

D

D

V

V

M

I

N

D

L

T

N

N

I

L

K

K

S

G

V

V

F

F

F

N

M

C

S

I

Q

Q

A

K

A

A

A

T

K

P

H

Q

F

M

I

L

A

R

Q

Q

G

R

N

S

G

G

G

A

K

-

I

I

I

I

N

N

I

L

A

S

S
|
S

M

V

L

V

S

G

F

A

Q

V

G

G

G

N

I

P

R

G

V
x
Q

P

A

S

N

Y
|
Y

T

V

A

A

S

T

K
|
K

S

A

G

G

V

V

M

I

G

G

V

L

T

T

R

K

L

S

M

A

A

A

N

R

E

E

W

L

A

A

K

S

H

R

N

G

I

I

N

T

V

V

N

N

A

A

I

V

A

A

P

P

G

G

Y

F

M

I

A

V

T

S

N

D

N

M

T

T

Q

D

Q

A

L

L

R

-

A

S

D

D

E

E

Q

L

R

K

S

E

A

-

E

Q

I

M

L

L

D

T

R

Q

I

I

P

P

A

L

G

A

R

R

W

F

G

G

L

Q

P

D

S

T

D

D

L

I

M

A

G

N

P

T

I

V

V

A

F

F

L

L

A

A

S

S

S

D

A

K

S

A

D

K

Y

Y

V

I

N

T

G

G

Y

Q

T

T

I

I

A

H

V

V

D

N

G

G

G

G

active site: G15 (= G21), S141 (= S145), Q151 (≠ V155), Y154 (= Y158), K158 (= K162)
binding magnesium ion: N89 (= N92), K158 (= K162)

3sj7A Structure of beta-ketoacetyl-coa reductase (fabg) from staphylococcus aureus complex with NADPH (see paper)
35% identity, 94% coverage: 11:249/253 of query aligns to 2:236/239 of 3sj7A

query
sites
3sj7A

K

K

V

S

A

A

V

L

V

V

T

T

G
|
G

C

A

D
x
S

T
x
R

G
|
G

L
x
I

G

G

Q

R

G

S

M

I

A

A

L

L

G

Q

L

L

A

A

Q

E

A

E

G

G

C

Y

D

N

I

-

V

V

G

A

I

V

N
|
N

I
x
Y

V
x
A

E
x
G

P
x
S

T

K

E

E

-

K

-

A

-

E

-

A

T

V

I

V

E

E

Q

E

V

I

T

K

A

A

L

K

G

G

R

V

R

D

F

S

L

F

S

A

L

I

T

Q

A
|
A

D
x
N

L
x
V

R

A

K

D

I

A

D

D

G

E

I

V

P

K

A

A

L

M

L

I

D

K

R

E

A

V

V

V

A

S

E

Q

F

F

G

G

H

S

I

L

D

D

I

V

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

L
x
I

I

T

R

R

R

D

E

N

D

L

A

L

L

M

E

R

F

M

S

K

E

E

K

Q

D

E

W

W

D

D

D

D

V

V

M

I

N

D

L
x
T

N

N

I

L

K

K

S

G

V

V

F

F

F

N

M

C

S

I

Q

Q

A

K

A

A

A

T

K

P

H

Q

F

M

I

L

A

R

Q

Q

G

-

N

R

G

S

G

G

K

A

I

I

I

I

N

N

I
x
L

A
x
S

S
|
S

M

V

L

V

S

G

F

A

Q

V

G

G

G

N

I

P

R

G

V
x
Q

P

A

S

N

Y
|
Y

T

V

A

A

S

T

K
|
K

S

A

G

G

V

V

M

I

G

G

V

L

T

T

R

K

L

S

M

A

A

A

N

R

E

E

W

L

A

A

K

S

H

R

N

G

I

I

N

T

V

V

N

N

A

A

I

V

A

A

P
|
P

G
|
G

Y
x
F

M
x
I

A

V

T

S

N

D

N

M

T

T

Q

D

Q

E

L

L

R

K

A

-

D

-

E

-

Q

-

R

-

S

-

A

E

E

Q

I

M

L

L

D

T

R

Q

I

I

P

P

A

L

G

A

R

R

W

F

G

G

L

Q

P

D

S

T

D

D

L

I

M

A

G

N

P

T

I

V

V

A

F

F

L

L

A

A

S

S

S

D

A

K

S

A

D

K

Y

Y

V

I

N

T

G

G

Y

Q

T

T

I

I

A

H

V

V

D

N

G

G

G

G

active site: G12 (= G21), S138 (= S145), Q148 (≠ V155), Y151 (= Y158), K155 (= K162)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G8 (= G17), S10 (≠ D19), R11 (≠ T20), G12 (= G21), I13 (≠ L22), N31 (= N41), Y32 (≠ I42), A33 (≠ V43), G34 (≠ E44), S35 (≠ P45), A58 (= A64), N59 (≠ D65), V60 (≠ L66), N86 (= N92), A87 (= A93), G88 (= G94), I89 (≠ L95), T109 (≠ L115), L136 (≠ I143), S137 (≠ A144), S138 (= S145), Y151 (= Y158), K155 (= K162), P181 (= P188), G182 (= G189), F183 (≠ Y190), I184 (≠ M191)

4i08A Crystal structure of beta-ketoacyl-acyl carrier protein reductase (fabg) from vibrio cholerae in complex with NADPH (see paper)
36% identity, 96% coverage: 6:249/253 of query aligns to 4:239/243 of 4i08A

query
sites
4i08A

F

M

S

N

L

L

E

E

G

G

K

K

V

V

A

A

V

L

V

V

T

T

G
|
G

C

A

D
x
S

T
x
R

G
|
G

L
x
I

G

G

Q

K

G

A

M

I

A

A

L

E

G

L

L

L

A

A

Q

E

A

R

G

G

C

A

D

K

I

V

V

I

G

G

I

-

N

-

I

-

V

T

E
x
A

P
x
T

T

S

E

E

T

S

I

G

E

A

Q

Q

V

A

T

I

A

S

-

D

-

Y

L

L

G

G

R

D

R

N

F

G

L

K

S

G

L

M

T

A

A
x
L

D
x
N

L
x
V

R

T

K

N

I

P

D

E

G

S

I

I

P

E

A

A

L

V

L

L

D

K

R

A

A

I

V

T

A

D

E

E

F

F

G

G

H

G

I

V

D

D

I

I

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

L
x
I

I

T

R

R

R

D

E

N

D

L

A

L

L

M

E

R

F

M

S

K

E

E

K

E

D

E

W

W

D

S

D

D

V

I

M

M

N

E

L
x
T

N
|
N

I

L

K

T

S

S

V

I

F

F

F

R

M

L

S

S

Q

K

A

A

A

V

A

L

K

R

H

G

F

M

I

M

A

K

Q

K

G

-

N

R

G

Q

G

G

K

R

I

I

I

I

N

N

I
x
V

A
x
G

S
|
S

M

V

L

V

S

G

F

T

Q

M

G

G

G

N

I

A

R

G

V
x
Q

P

A

S

N

Y
|
Y

T

A

A

A

S

A

K
|
K

S

A

G

G

V

V

M

I

G

G

V

F

T

T

R

K

L

S

M

M

A

A

N

R

E

E

W

V

A

A

K

S

H

R

N

G

I

V

N

T

V

V

N

N

A

T

I

V

A

A

P
|
P

G
|
G

Y
x
F

M
x
I

A

E

T
|
T

N

D

N

M

T

N

Q

-

Q

-

L

-

R

-

A

-

D

D

E

E

Q

Q

R

R

S

T

A

A

E

-

I

T

L

L

D

A

R

Q

I

V

P

P

A

A

G

G

R

R

W

L

G

G

L

D

P

P

S

R

D

E

L

I

M

A

G

S

P

A

I

V

V

A

F

F

L

L

A

A

S

S

S

P

A

E

S

A

D

A

Y

Y

V

I

N

T

G

G

Y

E

T

T

I

L

A

H

V

V

D

N

G

G

G

G

active site: G19 (= G21), N113 (= N116), S141 (= S145), Q151 (≠ V155), Y154 (= Y158), K158 (= K162)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G15 (= G17), S17 (≠ D19), R18 (≠ T20), G19 (= G21), I20 (≠ L22), A39 (≠ E44), T40 (≠ P45), L61 (≠ A64), N62 (≠ D65), V63 (≠ L66), N89 (= N92), A90 (= A93), G91 (= G94), I92 (≠ L95), T112 (≠ L115), V139 (≠ I143), G140 (≠ A144), S141 (= S145), Y154 (= Y158), K158 (= K162), P184 (= P188), G185 (= G189), F186 (≠ Y190), I187 (≠ M191), T189 (= T193)

2ztlA Closed conformation of d-3-hydroxybutyrate dehydrogenase complexed with NAD+ and l-3-hydroxybutyrate (see paper)
40% identity, 97% coverage: 8:253/253 of query aligns to 2:260/260 of 2ztlA

query
sites
2ztlA

L

L

E

K

G

G

K

K

V

V

A

A

V

V

V

V

T

T

G
|
G

C

S

D
x
T

T
x
S

G
|
G

L
x
I

G

G

Q

L

G

G

M

I

A

A

L

T

G

A

L

L

A

A

Q

A

A

Q

G

G

C

A

D

D

I

I

V

V

G

-

I

L

N
|
N

I
x
G

V
x
F

E

G

P

D

T

A

E

A

T

E

I

I

E

E

Q

K

V

V

T

R

A

A

-

G

-

L

-

A

-

A

-

Q

L

H

G

G

R

V

R

K

F

V

L

L

S

Y

L

D

T

G

A
|
A

D
|
D

L
|
L

R

S

K

K

I

G

D

E

G

A

I

V

P

R

A

G

L

L

L

V

D

D

R

N

A

A

V

V

A

R

E

Q

F

M

G

G

H

R

I

I

D

D

I

I

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

L
x
I

I
x
Q

R

H

R

T

E

A

D

L

A

I

L

E

E

D

F

F

S

P

E

T

K

E

D

K

W

W

D

D

D

A

V

I

M

L

N

A

L
|
L

N
|
N

I

L

K

S

S

A

V

V

F

F

F

H

M

G

S

T

Q

A

A

A

A

A

A

L

K

P

H

H

F

M

I

K

A

K

Q

Q

G

G

N

F

G

-

G

G

K

R

I

I

I

I

N

N

I
|
I

A
|
A

S
|
S

M

A

L
x
H

S

G

F

L

Q

V

G

A

G

S

I

A

R

N

V
x
K

P

S

S

A

Y
|
Y

T

V

A

A

S

A

K
|
K

S

H

G

G

V

V

M

V

G

G

V

F

T

T

R

K

L

V

M

T

A

A

N

L

E

E

W

T

A

A

K

G

H

Q

N

G

I

I

N

T

V

A

N

N

A

A

I

I

A

C

P
|
P

G
|
G

Y
x
W

M
x
V

A

R

T
|
T

N
x
P

N
x
L

T
x
V

Q

E

-

K

Q
|
Q

L

I

R

S

A

A

-
x
L

-

A

-

E

-

K

-

N

-

G

-

V

D

D

E

Q

Q

E

R

T

S

A

A

A

E

R

I

E

L

L

-

L

-

S

D

E

R

K

I

Q

P

P

A

S

G

L

R

Q

W

F

G

V

L

T

P

P

S

E

D

Q

L

L

M

G

G

G

P

T

I

A

V

V

F

F

L

L

A

A

S

S

S

D

A

A

S

A

D

A

Y

Q

V

I

N

T

G

G

Y

T

T

T

I

V

A

S

V

V

D

D

G

G

G

G

W
|
W

L

T

A

A

R

R

active site: G15 (= G21), N114 (= N116), S142 (= S145), Y155 (= Y158), K159 (= K162), L200 (vs. gap)
binding (3s)-3-hydroxybutanoic acid: Q94 (≠ I96), S142 (= S145), H144 (≠ L147), K152 (≠ V155), Y155 (= Y158), G186 (= G189), W187 (≠ Y190), L192 (≠ N195), Q196 (= Q198), W257 (= W250)
binding nicotinamide-adenine-dinucleotide: G11 (= G17), T13 (≠ D19), S14 (≠ T20), G15 (= G21), I16 (≠ L22), N34 (= N41), G35 (≠ I42), F36 (≠ V43), A62 (= A64), D63 (= D65), L64 (= L66), N90 (= N92), A91 (= A93), G92 (= G94), I93 (≠ L95), L113 (= L115), I140 (= I143), A141 (= A144), S142 (= S145), Y155 (= Y158), K159 (= K162), P185 (= P188), G186 (= G189), W187 (≠ Y190), V188 (≠ M191), T190 (= T193), P191 (≠ N194), L192 (≠ N195), V193 (≠ T196)

1wmbA Crystal structure of NAD dependent d-3-hydroxybutylate dehydrogenase (see paper)
40% identity, 97% coverage: 8:253/253 of query aligns to 2:260/260 of 1wmbA

query
sites
1wmbA

L

L

E

K

G

G

K

K

V

V

A

A

V

V

V

V

T

T

G

G

C

S

D

T

T

S

G
|
G

L

I

G

G

Q

L

G

G

M

I

A

A

L

T

G

A

L

L

A

A

Q

A

A

Q

G

G

C

A

D

D

I

I

V

V

G

-

I

L

N

N

I

G

V

F

E

G

P

D

T

A

E

A

T

E

I

I

E

E

Q

K

V

V

T

R

A

A

-

G

-

L

-

A

-

A

-

Q

L

H

G

G

R

V

R

K

F

V

L

L

S

Y

L

D

T

G

A

A

D

D

L

L

R

S

K

K

I

G

D

E

G

A

I

V

P

R

A

G

L

L

L

V

D

D

R

N

A

A

V

V

A

R

E

Q

F

M

G

G

H

R

I

I

D

D

I

I

L

L

V

V

N

N

N

N

A

A

G

G

L

I

I
x
Q

R

H

R

T

E

A

D

L

A

I

L

E

E

D

F

F

S

P

E

T

K

E

D

K

W

W

D

D

D

A

V

I

M

L

N

A

L

L

N
|
N

I

L

K

S

S

A

V

V

F

F

F

H

M

G

S

T

Q

A

A

A

A

A

A

L

K

P

H

H

F

M

I

K

A

K

Q

Q

G

G

N

F

G

-

G

G

K

R

I

I

I

I

N

N

I

I

A

A

S
|
S

M

A

L
x
H

S

G

F

L

Q

V

G

A

G

S

I

A

R

N

V

K

P

S

S

A

Y
|
Y

T

V

A

A

S

A

K
|
K

S

H

G

G

V

V

M

V

G

G

V

F

T

T

R

K

L

V

M

T

A

A

N

L

E

E

W

T

A

A

K

G

H

Q

N

G

I

I

N

T

V

A

N

N

A

A

I

I

A

C

P

P

G
|
G

Y

W

M

V

A

R

T

T

N

P

N

L

T

V

Q

E

-

K

Q

Q

L

I

R

S

A

A

-
x
L

-

A

-

E

-

K

-

N

-

G

-

V

D

D

E

Q

Q

E

R

T

S

A

A

A

E

R

I

E

L

L

-

L

-

S

D

E

R

K

I

Q

P

P

A

S

G

L

R

Q

W

F

G

V

L

T

P

P

S

E

D

Q

L

L

M

G

G

G

P

T

I

A

V

V

F

F

L

L

A

A

S

S

S

D

A

A

S

A

D

A

Y

Q

V

I

N

T

G

G

Y

T

T

T

I

V

A

S

V

V

D

D

G

G

G

G

W
|
W

L

T

A

A

R

R

active site: G15 (= G21), N114 (= N116), S142 (= S145), Y155 (= Y158), K159 (= K162), L200 (vs. gap)
binding cacodylate ion: Q94 (≠ I96), S142 (= S145), H144 (≠ L147), Y155 (= Y158), G186 (= G189), W257 (= W250)

1x1tA Crystal structure of d-3-hydroxybutyrate dehydrogenase from pseudomonas fragi complexed with NAD+ (see paper)
40% identity, 97% coverage: 8:253/253 of query aligns to 2:236/236 of 1x1tA

query
sites
1x1tA

L

L

E

K

G

G

K

K

V

V

A

A

V

V

V

V

T

T

G
|
G

C

S

D
x
T

T
x
S

G
|
G

L
x
I

G

G

Q

L

G

G

M

I

A

A

L

T

G

A

L

L

A

A

Q

A

A

Q

G

G

C

A

D

D

I

I

V

V

G

-

I

L

N
|
N

I
x
G

V
x
F

E

G

P

D

T

A

E

A

T

E

I

I

E

E

Q

K

V

V

T

R

A

A

-

G

-

L

-

A

-

A

-

Q

L

H

G

G

R

V

R

K

F

V

L

L

S

Y

L

D

T

G

A
|
A

D
|
D

L
|
L

R
x
S

K

K

I

G

D

E

G

A

I

V

P

R

A

G

L

L

L

V

D

D

R

N

A

A

V

V

A

R

E

Q

F

M

G

G

H

R

I

I

D

D

I

I

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

L

I

I

Q

R

H

R

T

E

A

D

L

A

I

L

E

E

D

F

F

S

P

E

T

K

E

D

K

W

W

D

D

D

A

V

I

M

L

N

A

L
|
L

N
|
N

I

L

K

S

S

A

V

V

F

F

F

H

M

G

S

T

Q

A

A

A

A

A

A

L

K

P

H

H

F

M

I

K

A

K

Q

Q

G

G

N

F

G

-

G

G

K

R

I

I

I

I

N

N

I
|
I

A
|
A

S
|
S

M

A

L
x
H

S

G

F

L

Q

V

G

A

G

S

I

A

R

N

V
x
K

P

S

S

A

Y
|
Y

T

V

A

A

S

A

K
|
K

S

H

G

G

V

V

M

V

G

G

V

F

T

T

R

K

L

V

M

T

A

A

N

L

E

E

W

T

A

A

K

G

H

Q

N

G

I

I

N

T

V

A

N

N

A

A

I

I

A

C

P
|
P

G
|
G

Y
x
W

M
x
V

A

R

T
|
T

N

-

N

-

T

-

Q

-

Q

-

L

L

R

L

A

S

D

E

E

K

Q

Q

R

P

S

S

A

L

E

Q

I

F

L

V

D

T

R

-

I

-

P

-

A

-

G

-

R

-

W

-

G

-

L

-

P

P

S

E

D

Q

L

L

M

G

G

G

P

T

I

A

V

V

F

F

L

L

A

A

S

S

S

D

A

A

S

A

D

A

Y

Q

V

I

N

T

G

G

Y

T

T

T

I

V

A

S

V

V

D

D

G

G

G

G

W
|
W

L

T

A

A

R

R

active site: G15 (= G21), N114 (= N116), S142 (= S145), Y155 (= Y158), K159 (= K162)
binding cacodylate ion: S142 (= S145), H144 (≠ L147), K152 (≠ V155), Y155 (= Y158), W187 (≠ Y190), W233 (= W250)
binding nicotinamide-adenine-dinucleotide: G11 (= G17), T13 (≠ D19), S14 (≠ T20), G15 (= G21), I16 (≠ L22), N34 (= N41), G35 (≠ I42), F36 (≠ V43), A62 (= A64), D63 (= D65), L64 (= L66), S65 (≠ R67), N90 (= N92), A91 (= A93), G92 (= G94), L113 (= L115), I140 (= I143), A141 (= A144), S142 (= S145), Y155 (= Y158), K159 (= K162), P185 (= P188), G186 (= G189), W187 (≠ Y190), V188 (≠ M191), T190 (= T193)

6t77A Crystal structure of klebsiella pneumoniae fabg(NADPH-dependent) NADP- complex at 1.75 a resolution (see paper)
35% identity, 96% coverage: 6:249/253 of query aligns to 1:240/244 of 6t77A

query
sites
6t77A

F

M

S

S

L

F

E

E

G

G

K

K

V

I

A

A

V

L

V

V

T

T

G
|
G

C

A

D
x
S

T
x
R

G
|
G

L

I

G

G

Q

R

G

A

M

I

A

A

L

E

G

T

L

L

A

V

Q

A

A

R

G

G

C

A

D

K

I

V

V

I

G

G

I

-

N

-

I

-

V

T

E
x