SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing N515DRAFT_0334 N515DRAFT_0334 NAD(P)-dependent dehydrogenase, short-chain alcohol dehydrogenase family 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)

6ihhA Crystal structure of rasadh f12 from ralstonia.Sp in complex with NADPH and a6o
45% identity, 100% coverage: 1:249/249 of query aligns to 1:249/249 of 6ihhA

query
sites
6ihhA

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binding (2R,3S)-2-ethyl-2-[(2E)-2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]-3-oxidanyl-cyclopentan-1-one: S137 (= S137), H147 (≠ V147), Y150 (= Y150), L188 (≠ A188), L246 (≠ W246)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G13), N15 (≠ S15), S16 (≠ A16), G17 (= G17), I18 (≠ M18), R38 (= R38), R39 (≠ D39), D60 (= D60), V61 (≠ N61), N87 (= N87), S88 (≠ A88), G89 (= G89), V110 (≠ T110), T135 (≠ N135), S137 (= S137), Y150 (= Y150), K154 (= K154), P180 (= P180), G181 (= G181), A182 (≠ Y182), I183 (= I183), T185 (= T185), S187 (≠ Q187)

4bmsF Short chain alcohol dehydrogenase from ralstonia sp. Dsm 6428 in complex with NADPH
45% identity, 100% coverage: 1:249/249 of query aligns to 1:249/249 of 4bmsF

query
sites
4bmsF

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active site: S137 (= S137), H147 (≠ V147), Y150 (= Y150), K154 (= K154), Q195 (≠ E195)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G13), N15 (≠ S15), S16 (≠ A16), I18 (≠ M18), R38 (= R38), R39 (≠ D39), A59 (≠ C59), D60 (= D60), V61 (≠ N61), N87 (= N87), S88 (≠ A88), G89 (= G89), V110 (≠ T110), S137 (= S137), Y150 (= Y150), K154 (= K154), G181 (= G181), I183 (= I183), T185 (= T185), I187 (≠ Q187)

4esoB Crystal structure of a putative oxidoreductase protein from sinorhizobium meliloti 1021 in complex with NADP
40% identity, 99% coverage: 2:248/249 of query aligns to 1:246/251 of 4esoB

query
sites
4esoB

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active site: G16 (= G17), S136 (= S137), M146 (≠ V147), Y149 (= Y150), K153 (= K154)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G13), T14 (≠ S15), H15 (≠ A16), M17 (= M18), R37 (= R38), N38 (≠ D39), N41 (≠ A42), S58 (≠ C59), D59 (= D60), I60 (≠ N61), N86 (= N87), A87 (= A88), G88 (= G89), T134 (≠ N135), S136 (= S137), Y149 (= Y150), P179 (= P180), G180 (= G181), I182 (= I183), T184 (= T185), T186 (≠ Q187), K187 (≠ A188), G188 (≠ R189)

4nbuB Crystal structure of fabg from bacillus sp (see paper)
39% identity, 98% coverage: 1:245/249 of query aligns to 2:241/244 of 4nbuB

query
sites
4nbuB

M

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active site: G18 (= G17), N111 (= N111), S139 (≠ T138), Q149 (≠ V147), Y152 (= Y150), K156 (= K154)
binding acetoacetyl-coenzyme a: D93 (≠ P93), K98 (≠ H98), S139 (≠ T138), N146 (≠ R144), V147 (≠ P145), Q149 (≠ V147), Y152 (= Y150), F184 (≠ Y182), M189 (≠ Q187), K200 (≠ Q200)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G13), N17 (≠ A16), G18 (= G17), I19 (≠ M18), D38 (≠ G37), F39 (≠ R38), V59 (≠ C59), D60 (= D60), V61 (≠ N61), N87 (= N87), A88 (= A88), G89 (= G89), I90 (≠ G90), T137 (= T136), S139 (≠ T138), Y152 (= Y150), K156 (= K154), P182 (= P180), F184 (≠ Y182), T185 (≠ I183), T187 (= T185), M189 (≠ Q187)

4jroC Crystal structure of 3-oxoacyl-[acyl-carrier protein]reductase (fabg) from listeria monocytogenes in complex with NADP+
40% identity, 97% coverage: 4:245/249 of query aligns to 3:244/247 of 4jroC

query
sites
4jroC

L

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I

V

L

F

V

A

N

N
|
N

A
|
A

G

G

G
x
I

G

T

R

R

P

D

A

N

L

L

F

L

E

M

H

R

T

M

S

K

E

E

D

D

D

E

F

W

D

D

F

D

M

V

I

I

D

N

T
x
I

N

N

F

L

K

K

G

G

A

T

Y

F

F

L

T

C

V

T

Q

K

K

A

L

V

-

S

L

R

P

T

L

M

V

M

K

K

A

Q

G

R

A

A

S

G

V

K

I

I

L

I

N

N

-

M

T

A

S
|
S

T

V

L

V

S

G

T

L

Q

I

G

G

R

N

P

A

Y

G

V
x
Q

S

A

V

N

Y
|
Y

S

V

A

A

A

S

K
|
K

A

A

A

G

I

V

R

I

S

G

L

L

A

T

R

K

S

T

L

T

S

A

V

R

E

E

L

L

S

A

E

P

R

R

G

G

I

I

R

N

V

V

N

N

A

A

L

V

A

A

P
|
P

G

G

Y

F

I
|
I

D

T

T
|
T

D

D

Q

-

A

-

R

-

K

-

V

-

G

-

M

M

S

T

E

D

E

K

M

L

I

D

E

E

Q

K

T

T

K

K

I

E

Q

A

V

M

H

L

A

A

Q

Q

V

I

P

P

M

L

H

G

R

A

S

Y

G

G

T

T

V

T

D

E

E

D

I

I

A

A

N

N

A

A

V

V

L

L

F

F

L

L

A

A

S

S

H

D

D

A

S

S

A

K

Y

Y

V

I

T

T

G

G

I

Q

E

T

L

L

C

S

V

V

D

D

G

G

active site: G16 (= G17), S142 (= S137), Q152 (≠ V147), Y155 (= Y150), K159 (= K154)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G13), S14 (= S15), R15 (≠ A16), G16 (= G17), I17 (≠ M18), N35 (≠ T36), Y36 (vs. gap), N37 (vs. gap), G38 (= G37), S39 (≠ R38), N63 (≠ K63), V64 (= V64), N90 (= N87), A91 (= A88), I93 (≠ G90), I113 (≠ T110), S142 (= S137), Y155 (= Y150), K159 (= K154), P185 (= P180), I188 (= I183), T190 (= T185)

5t2uA Short chain dehydrogenase/reductase family protein (see paper)
38% identity, 98% coverage: 3:245/249 of query aligns to 3:237/241 of 5t2uA

query
sites
5t2uA

K

E

L

L

D

E

G

G

K

L

V

T

A

A

V

L

I

V

T

T

G
|
G

G

G

S

T

A

S

G
|
G

M

I

G

G

L

L

A

E

T

S

A

A

R

R

L

L

F

M

L

A

R

A

E

E

G

G

A

A

T

D

V

V

I

V

V

I

T

T

G

G

R
|
R

D
|
D

E

A

A

Q

A
x
R

L

G

E

E

A

Q

A

A

K

A

R

A

D

D

L

I

G

G

G

H

G

G

A

A

E

R

I

F

V

V

R

Q

C

A

D
|
D

N

-

S

-

K

-

V
x
L

A

G

D

D

I

L

E

D

S

S

L

V

S

-

A

A

Y

D

V

L

E

A

T

A

K

Q

H

A

G

P

R

D

V

V

D

D

I

I

V

L

F

V

A

N

N
|
N

A
|
A

G

G

G

-

R

-

P

-

A

-

L

I

F
x
Y

E

P

H

Q

T

A

S

S

E

T

D

F

D

D

-

Q

-

D

-

V

-

A

-

G

F

F

D

Q

F

Q

M

L

I

F

D

D

T

T

N

N

F

V

K

R

G

G

A

T

Y

Y

F

F

T

L

V

V

Q

A

K

A

L

A

P

K

-

G

L

M

V

V

K

A

A

R

G

G

A

H

S

G

V

S

I

I

L

V

N

N

T
x
I

S

T

T
|
T

L

L

S

A

T

A

-

H

Q

K

G

G

R

F

P

P

Y

G

V
x
T

S

S

V

V

Y
|
Y

S

G

A

A

A

T

K
|
K

A

A

I

L

R

E

S

S

L

L

A

T

R

R

S

T

L

W

S

A

V

A

E

E

L

F

S

G

E

A

R

N

G

G

I

V

R

R

V

V

N

N

A

S

L

V

A

S

P
|
P

G

G

Y
x
P

I
x
T

D

R

T
|
T

D

P

Q

-

A

-

R

-

K

-

V

-

G

-

M
x
T

S
x
T

E

L

E

E

M

Q

I

L

E

G

Q

D

T

F

K

I

I

D

Q

D

V

V

H

A

A

A

Q

G

V

L

P

P

M

L

H

R

R

R

S

T

G

A

T

A

V

P

D

E

E

E

I

I

A

A

N

Q

A

A

V

V

L

L

F

F

L

L

A

A

S

S

H

P

D

R

S

A

A

S

Y

F

V

V

T

T

G

G

I

S

E

T

L

L

C

Y

V

V

D

D

G

G

active site: G17 (= G17), T135 (= T138), T145 (≠ V147), Y148 (= Y150), K152 (= K154)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G13), G17 (= G17), R38 (= R38), D39 (= D39), R42 (≠ A42), D60 (= D60), L61 (≠ V64), N83 (= N87), A84 (= A88), Y87 (≠ F96), I133 (≠ T136), T135 (= T138), Y148 (= Y150), K152 (= K154), P178 (= P180), P180 (≠ Y182), T181 (≠ I183), T183 (= T185), T185 (≠ M193), T186 (≠ S194)

7tzpG Crystal structure of putataive short-chain dehydrogenase/reductase (fabg) from klebsiella pneumoniae subsp. Pneumoniae ntuh-k2044 in complex with nadh (see paper)
34% identity, 98% coverage: 3:245/249 of query aligns to 5:244/247 of 7tzpG

query
sites
7tzpG

K

K

L

L

D

A

G

S

K

K

V

T

A

A

V

I

I

V

T

T

G
|
G

G

A

S

A

A
x
R

G
|
G

M
x
I

G

G

L

F

A

G

T

I

A

A

R

Q

L

V

F

L

L

A

R

R

E

E

G

G

A

A

T

R

V

V

I

I

V

I

T

A

G
x
D

R
|
R

D

D

-

A

-

H

-

G

E

E

A

A

L

-

E

A

A

A

A

S

K

L

R

R

D

E

L

S

G

G

G

A

G

Q

A

A

E

L

I

F

V

I

R

S

C
|
C

D

N

N
x
I

S

A

K

E

V

K

A

T

D

Q

I

V

E

E

S

A

L

L

S

F

A

S

Y

Q

V

A

E

E

T

E

K

A

H

F

G

G

R

P

V

V

D

D

I

I

V

L

F

V

A

N

N
|
N

A

A

G
|
G

G
x
I

G

N

R

R

P

D

A

A

L

M

F

L

E

H

H

K

T

L

S

T

E

E

D

A

D

D

F

W

D

D

F

T

M

V

I

I

D

D

T
x
V

N

N

F

L

K

K

G

G

A

T

Y

F

F

L

T

C

V

M

Q

Q

K

Q

L

A

-

A

L

I

P

R

L

M

V

R

K

E

A

R

G

G

A

A

S

G

V

R

I

I

L

I

N

N

T

I

S

A

T

S

L

A

S

S

T

W

Q

L

G

G

R

N

P

V

Y

G

V

Q

S

T

V

N

Y
|
Y

S

S

A

A

A

S

K
|
K

A

A

A

G

I

V

R

V

S

G

L

M

A

T

R

K

S

T

L

A

S

C

V

R

E

E

L

L

S

A

E

K

R

K

G

G

I

V

R

T

V

V

N

N

A

A

L

I

A

C

P

P

G

G

Y

F

I
|
I

D

D

T
|
T

D

D

Q

M

A
x
T

R

R

K

G

V

V

G

-

M

-

S

-

E

P

E

E

M

N

I

V

E

W

Q

Q

T

I

K

M

I

V

Q

-

V

-

H

-

A

S

Q

K

V

I

P

P

M

A

H

G

R

Y

S

A

G

G

T

E

V

A

D

K

E

D

I

V

A

G

N

E

A

C

V

V

L

A

F

F

L

L

A

A

S

S

H

D

D

G

S

A

A

R

Y

Y

V

I

T

N

G

G

I

E

E

V

L

I

C

N

V

V

D

G

G

G

binding 1,4-dihydronicotinamide adenine dinucleotide: G15 (= G13), R18 (≠ A16), G19 (= G17), I20 (≠ M18), D39 (≠ G37), R40 (= R38), C63 (= C59), I65 (≠ N61), N91 (= N87), G93 (= G89), I94 (≠ G90), V114 (≠ T110), Y155 (= Y150), K159 (= K154), I188 (= I183), T190 (= T185), T193 (≠ A188)

7djsD Crystal structure of isopiperitenol dehydrogenase from pseudomonas aeruginosa complexed with NAD
38% identity, 97% coverage: 4:245/249 of query aligns to 3:247/251 of 7djsD

query
sites
7djsD

L

L

D

S

G

G

K

Q

V

V

A

A

V

L

I

V

T

T

G
|
G

G

G

S

A

A

A

G
|
G

M
x
I

G

G

L

R

A

A

T

T

A

A

R

Q

L

A

F

F

L

A

R

A

E

A

G

G

A

V

T

K

V

V

I

V

V

V

T

A

G
x
D

R
x
L

D

D

E

S

A

A

A

G

L

G

E

E

A

G

-

T

-

V

-

E

A

A

K

I

R

R

D

Q

L

A

G

G

G

E

A

A

E

V

I

F

V

I

R

R

C
|
C

D
|
D

N
x
V

S

T

K

R

V

D

A

A

D

E

I

V

E

K

S

A

L

L

S

V

A

E

Y

G

V

C

E

A

T

A

K

A

H

Y

G

G

R

R

V

L

D

D

I

Y

V

A

F

F

A

N

N
|
N

A
|
A

G

G

-

I

-

E

-

I

-

E

G

Q

G

G

R

K

P

L

A

A

L

-

F

-

E

-

H

D

T

G

S

N

E

E

D

A

D

E

F

F

D

D

F

A

M

I

I

M

D

A

T

V

N

N

F

V

K

K

G

G

A

V

Y

W

F

L

T

C

V

M

Q

K

K

H

L

Q

L

I

P

P

L

L

V

M

K

L

A

A

-

Q

G

G

A

G

S

G

V

A

I

I

L

V

N

N

T
|
T

S

A

T
x
S

L

V

S

A

T

G

Q

L

G

G

R

A

-

A

P

P

Y

K

V

M

S

S

V

I

Y
|
Y

S

A

A

A

A

S

K
|
K

A

H

A

A

I

V

R

I

S

G

L

L

A

T

R

K

S

S

L

A

S

A

V

I

E

E

L

Y

S

A

E

K

R

K

G

G

I

I

R

R

V

V

N

N

A

A

L

V

A

C

P

P

G
x
A

Y
x
V

I

I

D

D

T

T

D

D

Q

M

A

F

R

R

K

R

V

A

G

Y

M

E

S

A

E

D

E

P

M

R

I

K

E

A

Q

E

T

F

K

A

I

A

Q

A

V

M

H

H

A

-

Q

-

V

-

P

P

M

L

H

G

R

R

S

V

G

G

T

R

V

V

D

E

E

E

I

I

A

A

N

A

A

A

V

V

L

L

F

Y

L

L

A

C

S

S

H

D

D

N

S

A

A

G

Y

F

V

T

T

T

G

G

I

I

E

A

L

L

C

P

V

V

D

D

G

G

binding nicotinamide-adenine-dinucleotide: G12 (= G13), G16 (= G17), I17 (≠ M18), D36 (≠ G37), L37 (≠ R38), C61 (= C59), D62 (= D60), V63 (≠ N61), N89 (= N87), A90 (= A88), T140 (= T136), S142 (≠ T138), Y155 (= Y150), K159 (= K154), A186 (≠ G181), V187 (≠ Y182)

6ixmC Crystal structure of the ketone reductase chkred20 from the genome of chryseobacterium sp. Ca49 complexed with NAD (see paper)
34% identity, 100% coverage: 2:249/249 of query aligns to 1:248/248 of 6ixmC

query
sites
6ixmC

G

G

K

I

L

L

D

D

G

N

K

K

V

V

A

A

V

L

I

V

T

T

G
|
G

G

A

S

G

A
x
S

G
|
G

M
x
I

G

G

L

L

A

A

T

V

A

A

R

H

L

S

F

Y

L

A

R

K

E

E

G

G

A

A

T

K

V

V

I

I

V

V

T

S

G
x
D

R
x
I

D

N

E

E

A

D

A

H

L

G

E

N

A

K

A

A

K

V

R

E

D

D

L

I

-

K

-

A

-

Q

G

G

G

E

A

A

E

S

I

F

V

V

R

K

C
x
A

D
|
D

N
x
T

S

S

K

N

V

P

A

E

D

E

I

V

E

E

S

A

L

L

S

V

A

K

Y

R

V

T

E

V

T

E

K

I

H

Y

G

G

R

R

V

L

D

D

I

I

V

A

F

C

A

N

N
|
N

A
|
A

G

G

-

I

G

G

R

E

P

Q

A

A

L

L

F

A

E

G

H

D

T

Y

S

G

E

L

D

D

D

S

F

W

D

R

F

K

M

V

I

L

D

S

T

I

N

N

F

L

K

D

G

G

A

V

Y

F

F

Y

T

G

V

C

Q

K

-

Y

K

E

L

L

L

E

P

Q

L

M

V

E

K

K

A

N

G

G

A

G

S

G

V

V

I

I

L

V

N

N

T
x
M

S

A

T
x
S

L

I

-

H

S

G

T

I

Q

V

G

A

R

A

P

P

Y

L

V

S

S

S

V

A

Y
|
Y

S

T

A

S

A

A

K
|
K

A

H

A

A

I

V

R

V

S

G

L

L

A

T

R

K

S

N

L

I

S

G

V

A

E

E

L

Y

S

G

E

Q

R

K

G

N

I

I

R

R

V

C

N

N

A

A

L

V

A

G

P
|
P

G
x
A

Y
|
Y

I
|
I

D

E

T

T

D

P

Q

-

A

-

R

-

K

-

V

-

G

-

M
x
L

S

L

E

E

E

S

M

L

I

T

E

K

Q

E

T

M

K

K

I

E

Q

A

V

L

H

I

A

S

Q

K

V

H

P

P

M

M

H

G

R

R

S

L

G

G

T

K

V

P

D

E

E

E

I

V

A

A

N

E

A

L

V

V

L

L

F

F

L

L

A

S

S

S

H

E

D

K

S

S

A

S

Y

F

V

M

T

T

G

G

I

G

E

Y

L

Y

C

L

V

V

D

D

G

G

W

Y

A

T

Q

A

V

V

active site: G16 (= G17), S142 (≠ T138), Y155 (= Y150), K159 (= K154)
binding nicotinamide-adenine-dinucleotide: G12 (= G13), S15 (≠ A16), G16 (= G17), I17 (≠ M18), D36 (≠ G37), I37 (≠ R38), A61 (≠ C59), D62 (= D60), T63 (≠ N61), N89 (= N87), A90 (= A88), M140 (≠ T136), S142 (≠ T138), Y155 (= Y150), K159 (= K154), P185 (= P180), A186 (≠ G181), Y187 (= Y182), I188 (= I183), L192 (≠ M193)

6ci9D Rmm microcompartment-associated aminopropanol dehydrogenase NADP + aminoacetone holo-structure (see paper)
36% identity, 98% coverage: 3:245/249 of query aligns to 6:248/259 of 6ci9D

query
sites
6ci9D

K

S

L

L

D

E

G

G

K

R

V

S

A

A

V

I

I

V

T

T

G
|
G

G

G

S
|
S

A

K

G
|
G

M
x
I

G

G

L

R

A

G

T

I

A

A

R

E

L

T

F

F

L

A

R

N

E

A

G

G

A

V

T

D

V

V

I

V

V

I

T

T

G
|
G

R
|
R

D
x
N

E

Q

A

D

L

L

E

D

A

R

A

T

K

V

R

A

D

D

L

L

G

S

-

G

-

T

-

R

G

G

G

K

A

V

E

T

I

A

V

V

R

R

C

A

D
|
D

N
x
V

S

T

K

D

V

P

A

E

D

D

I

A

E

R

S

R

L

T

S

V

A

A

Y

E

V

T

E

V

T

S

K

R

H

H

G

G

R

G

V

L

D

D

I

I

V

V

F

C

A

A

N
|
N

A

A

G
|
G

G

I

G
x
F

R

P

P

S

A

G

L

R

F

L

E

E

H

D

T

L

S

T

E

P

D

D

F

I

D

E

F

Q

M

V

I

L

D

G

T

V

N

N

F

F

K

K

G

G

A

T

Y

V

F

Y

T

I

V

V

Q

Q

K

A

L

A

L

L

P

Q

L

A

V

L

K

T

A

A

-

S

-

G

-

H

G

G

A

R

S

V

V

V

I

V

L
x
T

N

S

T
x
S

S

I

T
|
T

L

G

S

P

T

I

Q

T

G

G

R

Y

P

P

Y

G

V
x
W

S

S

V

H

Y
|
Y

S

G

A

A

A

S

K
|
K

A

A

I

Q

R

L

S

G

L

F

A

L

R

R

S

T

L

A

S

A

V

M

E

E

L

L

S

A

E

P

R

K

G

K

I

I

R

T

V

I

N

N

A

A

L

V

A

L

P
|
P

G
|
G

Y
x
N

I
|
I

D

M

T
|
T

D

E

Q

-

A

-

R

-

K

-

V

-

G
|
G

M
x
L

S

-

E

D

E

E

M

M

I

G

E

Q

Q

D

T

Y

K

L

I

D

Q

Q

V

M

H

A

A

S

Q

A

V

I

P

P

M

A

H

G

R

R

S

L

G

G

T

S

V

V

D

A

E

D

I

I

A

G

N

N

A

A

V

A

L

L

F

F

L

F

A

A

S

T

H

D

D

E

S

A

A

A

Y

Y

V

V

T

T

G

G

I

Q

E

T

L

L

C

V

V

V

D

D

G

G

active site: G20 (= G17), S145 (≠ T136), Y159 (= Y150)
binding 1-aminopropan-2-one: F97 (≠ G91), S145 (≠ T136), T147 (= T138), W156 (≠ V147), Y159 (= Y150), G190 (= G181)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G16 (= G13), S18 (= S15), G20 (= G17), I21 (≠ M18), G40 (= G37), R41 (= R38), N42 (≠ D39), D66 (= D60), V67 (≠ N61), N93 (= N87), G95 (= G89), T143 (≠ L134), S145 (≠ T136), Y159 (= Y150), K163 (= K154), P189 (= P180), N191 (≠ Y182), I192 (= I183), T194 (= T185), G196 (= G192), L197 (≠ M193)

6t77A Crystal structure of klebsiella pneumoniae fabg(NADPH-dependent) NADP- complex at 1.75 a resolution (see paper)
34% identity, 99% coverage: 4:249/249 of query aligns to 3:244/244 of 6t77A

query
sites
6t77A

L

F

D

E

G

G

K

K

V

I

A

A

V

L

I

V

T

T

G
|
G

G

A

S
|
S

A
x
R

G
|
G

M

I

G

G

L

R

A

A

T

I

A

A

R

E

L

T

F

L

L

V

R

A

E

R

G

G

A

A

T

K

V

V

I

I

V

G

T

T

G

A

R
x
T

D

S

E

E

A

S

A

G

L

A

E

Q

A

A

A

I

K

S

R

D

D

Y

L

L

G

G

G

A

G

N

A

G

E

K

I

G

V

L

R

M

C
x
L

D
x
N

N
x
V

S

T

K

D

V

P

A

A

D

S

I

I

E

E

S

S

L

V

S

L

A

E

Y

N

V

V

E

R

T

A

K

E

H

F

G

G

R

E

V

V

D

D

I

I

V

L

F

V

A

N

N

N

A
|
A

G
|
G

G
x
I

G

T

R

R

P

D

A

N

L

L

F

L

E

M

H

R

T

M

S

K

E

D

D

D

D

E

F

W

D

N

F

D

M

I

I

I

D

E

T

T

N

N

F

L

K

S

G

S

A

V

Y

F

F

R

T

L

V

S

Q

K

K

A

L

V

L

M

P

R

-

A

-

M

L

M

V

K

K

K

A

R

G

H

A

G

S

R

V

I

I

I

L

T

N

I

T

G

S
|
S

T

V

L

V

S

G

T

T

Q

M

G

G

R

N

P

A

Y

G

V

Q

S

A

V

N

Y
|
Y

S

A

A

A

K

K

A

A

A

G

I

L

R

I

S

G

L

F

A

S

R

K

S

S

L

L

S

A

V

R

E

E

L

V

S

A

E

S

R

R

G

G

I

I

R

T

V

V

N

N

A

V

L

V

A

A

P

P

G

G

Y

F

I

I

D

E

T

T

D

D

Q

-

A

-

R

-

K

-

V

-

G

-

M

M

S

T

E

R

E

A

M

L

I

T

E

D

Q

E

T

Q

K

R

I

A

Q

G

V

T

H

L

A

A

Q

A

V

V

P

P

M

A

H

G

R

R

S

L

G

G

T

T

V

P

D

N

E

E

I

I

A

A

N

S

A

A

V

V

L

A

F

F

L

L

A

A

S

S

H

D

D

E

S

A

A

S

Y

Y

V

I

T

T

G

G

I

E

E

T

L

L

C

H

V

V

D

N

G

G

W

M

A

Y

Q

M

V

V

active site: G16 (= G17), S138 (= S137), Y151 (= Y150)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G13), S14 (= S15), R15 (≠ A16), T37 (≠ R38), L58 (≠ C59), N59 (≠ D60), V60 (≠ N61), A87 (= A88), G88 (= G89), I89 (≠ G90)

4wecA Crystal structure of a short chain dehydrogenase from mycobacterium smegmatis
37% identity, 98% coverage: 3:245/249 of query aligns to 7:249/258 of 4wecA

query
sites
4wecA

K

R

L

L

D

A

G

G

K

K

V

V

A

A

V

V

I

I

T

T

G
|
G

G

G

S
x
A

A
x
S

G
|
G

M
x
I

G

G

L

L

A

A

T

T

A

G

R

R

L

R

F

L

L

R

R

A

E

E

G

G

A

A

T

T

V

V

I

V

V

V

T

G

G
x
D

R
x
I

D

D

E

P

A

T

L

G

E

K

A

A

K

A

R

D

D

E

L

L

G

E

G

G

G

-

A

-

E

L

I

F

V

V

R

P

C
x
V

D
|
D

N
x
V

S

S

K

E

V

Q

A

E

D

A

I

V

E

D

S

N

L

L

S

F

A

D

Y

T

V

A

E

A

T

S

K

T

H

F

G

G

R

R

V

V

D

D

I

I

V

A

F

F

A

N

N
|
N

A

A

G

G

G

I

G

S

R

P

P

P

A

E

-

D

L

L

F

I

E

E

H

N

T

T

S

D

E

L

D

P

D

A

F

W

D

Q

F

R

M

V

I

Q

D

D

T

I

N

N

F

L

K

K

G

S

A

V

Y

Y

F

L

T

S

V

C

Q

R

K

A

L

A

L

L

-

R

P

H

L

M

V

V

K

P

A

A

G

G

A

K

S

G

V

S

I

I

L

I

N

N

T
|
T

S

A

T
x
S

L

F

-

V

S

A

T

V

Q

M

G

G

R

S

P

A

Y

T

V

S

S
x
Q

V

I

-

S

Y
|
Y

S

T

A

A

A

S

K
|
K

A

G

I

V

R

L

S

A

L

M

A

S

R

R

S

E

L

L

S

G

V

V

E

Q

L

Y

S

A

E

R

R

Q

G

G

I

I

R

R

V

V

N

N

A

A

L

L

A

C

P
|
P

G

G

Y
x
P

I
x
V

D

N

T

T

D

P

Q

L

A

L

R

Q

K

E

V

L

G

-

M

F

S

A

E

K

E

D

M

P

I

E

E

R

Q

A

T

A

K

R

I

R

Q

L

V

V

H

H

A

-

Q

-

V

I

P

P

M

L

H

G

R

R

S

F

G

A

T

E

V

P

D

E

E

E

I

L

A

A

N

A

A

A

V

V

L

A

F

F

L

L

A

A

S

S

H

D

D

D

S

A

A

S

Y

F

V

I

T

T

G

G

I

S

E

T

L

F

C

L

V

V

D

D

G

G

active site: G21 (= G17), S143 (≠ T138), Q154 (≠ S148), Y157 (= Y150), K161 (= K154)
binding nicotinamide-adenine-dinucleotide: G17 (= G13), A19 (≠ S15), S20 (≠ A16), G21 (= G17), I22 (≠ M18), D41 (≠ G37), I42 (≠ R38), V61 (≠ C59), D62 (= D60), V63 (≠ N61), N89 (= N87), T141 (= T136), Y157 (= Y150), K161 (= K154), P187 (= P180), P189 (≠ Y182), V190 (≠ I183)

7krmC Putative fabg bound to nadh from acinetobacter baumannii
36% identity, 98% coverage: 4:246/249 of query aligns to 3:241/244 of 7krmC

query
sites
7krmC

L

L

D

Q

G

G

K

K

V

V

A

A

V

L

I

I

T

T

G
|
G

G

A

S

A

A
x
S

-

E

-

R

G
|
G

M
x
I

G

G

L

R

A

A

T

T

A

A

R

E

L

I

F

F

L

A

R

Q

E

Q

G

G

A

A

T

K

V

V

I

I

V

I

T

V

G
x
D

R
x
L

D

D

E

L

A

A

A

Q

L

S

E

Q

A

N

A

A

K

A

R

K

D

A

L

L

G

G

G

E

G

G

A

H

E

M

I

G

V

L

R

A

C
x
A

D
x
N

N

-

S

-

K

-

V
|
V

A

A

D

N

I

E

E

E

S

Q

L

V

S

K

A

A

Y

A

V

V

E

E

T

Q

-

A

-

L

-

Q

K

H

H

Y

G

G

R

K

V

I

D

D

I

I

V

L

F

I

A

N

N
|
N

A

A

G

G

G

I

G

T

R

Q

P

P

A

I

L

K

F

T

E

L

H

D

T

I

S

Q

E

R

D

S

D

D

F

Y

D

D

F

R

M

V

I

L

D

D

T
x
V

N

S

F

L

K

R

G

G

A

T

Y

L

F

I

T

M

V

S

Q

Q

K

A

L

V

L

I

P

P

L

S

V

M

K

K

A

A

-

N

G

G

A

G

S

G

V

S

I

I

L

V

N

C

T

L

S

S

T
x
S

L

V

S

S

T

A

Q

Q

-

R

-

G

-

I

-

F

G

G

R

G

P

P

Y

H

V

-

S

-

V

-

Y
|
Y

S

S

A

A

K
|
K

A

A

A

G

I

V

R

L

S

G

L

L

A

A

R

K

S

A

L

M

S

A

V

R

E

E

L

F

S

G

E

G

R

D

G

Q

I

I

R

R

V

V

N

N

A

S

L

L

A

T

P

P

G

G

Y

L

I
|
I

D

Q

T
|
T

D

D

Q

-

A

-

R

-

K

-

V

-

G

-

M

-

S

-

E

-

M

M

I

N

E

D

Q

D

T

R

K

R

I

H

Q

D

V

I

H

L

A

A

Q

G

V

I

P

P

M

L

H

G

R

R

S

L

G

G

T

K

V

A

D

Q

E

D

I

V

A

A

N

N

A

A

V

A

L

L

F

F

L

L

A

A

S

S

H

D

D

L

S

S

A

A

Y

Y

V

L

T

T

G

G

I

V

E

T

L

L

C

D

V

V

D

N

G

G

W

M

active site: G18 (= G17), S140 (≠ T138), Y155 (= Y150)
binding nicotinamide-adenine-dinucleotide: G12 (= G13), S15 (≠ A16), G18 (= G17), I19 (≠ M18), D38 (≠ G37), L39 (≠ R38), A60 (≠ C59), N61 (≠ D60), V62 (= V64), N88 (= N87), V111 (≠ T110), S140 (≠ T138), Y155 (= Y150), K159 (= K154), I188 (= I183), T190 (= T185)

7v0hG Crystal structure of putative glucose 1-dehydrogenase from burkholderia cenocepacia in complex with NADP and a potential reaction product
36% identity, 98% coverage: 1:245/249 of query aligns to 6:251/253 of 7v0hG

query
sites
7v0hG

M

M

G

S

K

K

L

L

D

A

G

G

K

K

V

V

A

A

V

I

I

V

T

T

G
|
G

G

A

S
|
S

A
x
K

G
|
G

M
x
I

G

G

L

A

A

A

T

I

A

A

R

K

L

A

F

L

L

A

R

D

E

E

G

G

A

A

T

A

V

V

I

V

V

V

T

N

-

Y

-
x
A

-
x
S

-

K

-

A

G

G

R

A

D

D

E

-

A

-

A

A

L

V

E

V

A

S

A

A

K

I

R

T

D

E

L

A

G

G

G

R

A

A

E

V

I

A

V

V

R

G

C
x
G

D
|
D

N
x
V

S

S

K

K

V

A

A

A

D

D

I

A

E

Q

S

R

L

I

S

V

A

D

Y

T

V

A

E

I

T

E

K

T

H

Y

G

G

R

R

V

L

D

D

I

V

V

L

F

V

A

N

N
|
N

A
x
S

G
|
G

G

V

G
x
Y

R

E

P

F

A

A

L

P

F

I

E

E

H

A

T

I

S

T

E

E

D

E

D

H

F

Y

D

R

F

R

M

Q

I

F

D

D

T

T

N

N

F

V

K

F

G

G

A

V

Y

L

F

L

T

T

V

T

Q

Q

K

A

L

A

L

V

P

K

L

H

V

L

K

G

A

E

G

G

A

A

S

S

V

I

I

I

L

N

N
x
I

T

S

S
|
S

T

V

L

V

S

T

T

S

Q

I

G

T

R

P

P

P

Y

A

V

S

S

A

V

V

Y
|
Y

S

S

A

G

A

T

K
|
K

A

G

A

A

I

V

R

D

S

A

L

I

A

T

R

G

S

V

L

L

S

A

V

L

E

E

L

L

S

G

E

P

R

R

G

K

I

I

R

R

V

V

N

N

A

A

L

I

A

N

P
|
P

G
|
G

Y
x
M

I
|
I

D

V

T
|
T

D

E

Q
x
G

A
x
T

R

H

K

S

V

A

G

G

M
x
I

S

I

E

G

E

S

M

D

I

L

E

E

Q

A

T

-

K

-

I

-

Q

Q

V

V

H

L

A

G

Q

Q

V

T

P

P

M

L

H

G

R

R

S

L

G

G

T

E

V

P

D

N

E

D

I

I

A

A

N

S

A

V

V

A

L

V

F

F

L

L

A

A

S

S

H

D

D

D

S

A

A

R

Y

W

V

M

T

T

G

G

I

E

E

H

L

L

C

V

V

V

D

S

G

G

binding nadp nicotinamide-adenine-dinucleotide phosphate: G18 (= G13), S20 (= S15), K21 (≠ A16), G22 (= G17), I23 (≠ M18), A43 (vs. gap), S44 (vs. gap), S45 (vs. gap), G68 (≠ C59), D69 (= D60), V70 (≠ N61), N96 (= N87), S97 (≠ A88), G98 (= G89), Y100 (≠ G91), I144 (≠ N135), S146 (= S137), Y159 (= Y150), K163 (= K154), P189 (= P180), G190 (= G181), M191 (≠ Y182), I192 (= I183), T194 (= T185), G196 (≠ Q187), T197 (≠ A188)
binding (2R)-2-(hydroxymethyl)pentanedioic acid: S146 (= S137), Y159 (= Y150), M191 (≠ Y182), I202 (≠ M193)

P0AEK2 3-oxoacyl-[acyl-carrier-protein] reductase FabG; 3-ketoacyl-acyl carrier protein reductase; Beta-Ketoacyl-acyl carrier protein reductase; Beta-ketoacyl-ACP reductase; EC 1.1.1.100 from Escherichia coli (strain K12) (see 2 papers)
34% identity, 99% coverage: 3:249/249 of query aligns to 2:244/244 of P0AEK2

query
sites
P0AEK2

K

N

L

F

D

E

G

G

K

K

V

I

A

A

V

L

I

V

T

T

G
|
G

G
x
A

S
|
S

A
x
R

G

G

M

I

G

G

L

R

A

A

T

I

A

A

R

E

L

T

F

L

L

A

R

A

E

R

G

G

A

A

T

K

V

V

I

I

V

G

T

T

G

A

R
x
T

D

S

E

E

A

N

A

G

L

A

E

Q

A

A

A

I

K

S

R

D

D

Y

L

L

G

G

G

A

G

N

A

G

E

K

I

G

V

L

R

M

C

L

D
x
N

N
x
V

S

T

K

D

V

P

A

A

D

S

I

I

E

E

S

S

L

V

S

L

A

E

Y

K

V

I

E

R

T

A

K

E

H

F

G

G

R

E

V

V

D

D

I

I

V

L

F

V

A

N

N
|
N

A

A

G

G

G

I

G

T

R

R

P

D

A

N

L

L

F

L

E

M

H

R

T

M

S

K

E

D

D

E

F

W

D

N

F

D

M

I

I

I

D

E

T

T

N

N

F

L

K

S

G

S

A

V

Y

F

F

R

T

L

V

S

Q

K

K

A

L

V

L

M

P

R

-

A

-

M

L

M

V

K

K

K

A

R

G

H

A

G

S

R

V

I

I

I

L

T

N

I

T

G

S

S

T

V

L

V

S

G

T

T

Q

M

G

G

R

N

P

G

Y

G

V

Q

S

A

V

N

Y
|
Y

S
x
A

A
|
A

K
|
K

A

A

A

G

I

L

R

I

S

G

L

F

A

S

R

K

S

S

L

L

S

A

V

R

E

E

L

V

S

A

E

S

R

R

G

G

I

I

R

T

V

V

N

N

A

V

L

V

A

A

P

P

G

G

Y

F

I
|
I

D

E

T

T

D

D

Q

-

A

-

R

-

K

-

V

-

G

-

M

M

S

T

E

R

E

A

M

L

I

S

E

D

Q

D

T

Q

K

R

I

A

Q

G

V

I

H

L

A

A

Q

Q

V

V

P

P

M

A

H

G

R

R

S

L

G

G

T

G

V

A

D

Q

E

E

I

I

A

A

N

N

A

A

V

V

L

A

F

F

L

L

A

A

S

S

H

D

D

E

S

A

A

A

Y

Y

V

I

T

T

G

G

I
x
E

E

T

L

L

C

H

V

V

D

N

G

G

W

M

A

Y

Q

M

V

V

GASR 12:15 (≠ GGSA 13:16) binding
T37 (≠ R38) binding
NV 59:60 (≠ DN 60:61) binding
N86 (= N87) binding
Y151 (= Y150) mutation to F: Defect in the affinity for NADPH.
YAAAK 151:155 (≠ YSAAK 150:154) binding
A154 (= A153) mutation to T: Decreases in the thermolability of the reductase; when associated with K-233.
K155 (= K154) mutation to A: Defect in the affinity for NADPH.
I184 (= I183) binding
E233 (≠ I238) mutation to K: Decreases in the thermolability of the reductase; when associated with T-154.

1q7bA The structure of betaketoacyl-[acp] reductase from e. Coli in complex with NADP+ (see paper)
34% identity, 99% coverage: 3:249/249 of query aligns to 1:243/243 of 1q7bA

query
sites
1q7bA

K

N

L

F

D

E

G

G

K

K

V

I

A

A

V

L

I

V

T

T

G
|
G

G

A

S
|
S

A
x
R

G
|
G

M

I

G

G

L

R

A

A

T

I

A

A

R

E

L

T

F

L

L

A

R

A

E

R

G

G

A

A

T

K

V

V

I

I

V

G

T

T

G

A

R
x
T

D

S

E

E

A

N

A

G

L

A

E

Q

A

A

A

I

K

S

R

D

D

Y

L

L

G

G

G

A

G

N

A

G

E

K

I

G

V

L

R

M

C

L

D
x
N

N
x
V

S

T

K

D

V

P

A

A

D

S

I

I

E

E

S

S

L

V

S

L

A

E

Y

K

V

I

E

R

T

A

K

E

H

F

G

G

R

E

V

V

D

D

I

I

V

L

F

V

A

N

N
|
N

A
|
A

G
|
G

G
x
I

G

T

R

R

P

D

A

N

L

L

F

L

E

M

H

R

T

M

S

K

E

D

D

E

D
x
E

F

W

D

N

F

D

M

I

I

I

D

E

T

T

N

N

F

L

K

S

G

S

A

V

Y

F

F

R

T

L

V

S

Q

K

K

A

L

V

L

M

P

R

-

A

-

M

L

M

V

K

K

K

A

R

G

H

A

G

S

R

V

I

I

I

L

T

N

I

T

G

S
|
S

T

V

L

V

S

G

T

T

Q

M

G

G

R

N

P

G

Y

G

V
x
Q

S

A

V

N

Y
|
Y

S

A

A

A

K
|
K

A

A

A

G

I

L

R

I

S

G

L

F

A

S

R

K

S

S

L

L

S

A

V

R

E

E

L

V

S

A

E

S

R

R

G

G

I

I

R

T

V

V

N

N

A

V

L

V

A

A

P
|
P

G
|
G

Y

F

I
|
I

D

E

T

T

D

D

Q

-

A

-

R

-

K

-

V

-

G

-

M

M

S

T

E

R

E

A

M

L

I

S

E

D

Q

D

T

Q

K

R

I

A

Q

G

V

I

H

L

A

A

Q

Q

V

V

P

P

M

A

H

G

R

R

S

L

G

G

T

G

V

A

D

Q

E

E

I

I

A

A

N

N

A

A

V

V

L

A

F

F

L

L

A

A

S

S

H

D

D

E

S

A

A

A

Y

Y

V

I

T

T

G

G

I
x
E

E
x
T

L

L

C

H

V

V

D

N

G

G

W

M

A

Y

Q

M

V

V

active site: G15 (= G17), E101 (≠ D103), S137 (= S137), Q147 (≠ V147), Y150 (= Y150), K154 (= K154)
binding calcium ion: E232 (≠ I238), T233 (≠ E239)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G11 (= G13), S13 (= S15), R14 (≠ A16), T36 (≠ R38), N58 (≠ D60), V59 (≠ N61), N85 (= N87), A86 (= A88), G87 (= G89), I88 (≠ G90), S137 (= S137), Y150 (= Y150), K154 (= K154), P180 (= P180), G181 (= G181), I183 (= I183)

7emgB Carbonyl reductase variant 4 (r123c/l209p/f183y/v61k) from serratia marcescens complexed with NADP+ (see paper)
33% identity, 99% coverage: 4:249/249 of query aligns to 2:243/243 of 7emgB

query
sites
7emgB

L

F

D

E

G

G

K

K

V

I

A

V

V

L

I

V

T

T

G
|
G

G

A

S
|
S

A
x
R

G

G

M

I

G

G

L

R

A

A

T

I

A

A

R

E

L

T

F

F

L

V

R

A

E

R

G

G

A

A

T

K

V

V

I

I

V

G

T

T

G

A

R
x
T

D

S

E

E

A

S

A

G

L

A

E

E

A

A

A

I

K

S

R

G

D

Y

L

L

G

G

G

A

G

N

A

G

E

K

I

G

V

F

R

M

C

L

D
x
N

N
x
V

S

K

K

D

V

A

A

Q

D

S

I

I

E

D

S

S

L

V

S

L

A

A

Y

S

V

I

E

R

T

A

K

E

H

F

G

G

R

E

V

I

D

D

I

I

V

L

F

V

A

N

N

N

A

A

G

G

G
x
I

G

T

R

R

P

D

A

N

L

L

F

L

E

M

H

R

T

M

S

K

E

D

D

D

D

E

F

W

D

E

F

D

M

I

I

L

D

D

T

T

N

N

F

L

K

T

G

S

A

V

Y

F

F

R

T

L

V

S

Q

K

K

A

L

V

L

M

P

C

-

A

-

M

L

M

V

K

K

K

A

R

G

F

A

G

S

R

V

I

I

I

L

T

N

I

T

G

S

S

T

V

L

V

S

G

T

T

Q

M

G

G

R

N

P

A

Y

G

V

Q

S

A

V

N

Y

Y

S

A

A

A

K

K

A

A

A

G

I

L

R

I

S

G

L

F

A

S

R

K

S

S

L

L

S

A

V

R

E

E

L

V

S

A

E

S

R

R

G

G

I

I

R

T

V

V

N

N

A

V

L

V

A

A

P

P

G

G

Y

Y

I

I

D

E

T

T

D

D

Q

-

A

-

R

-

K

-

V

-

G

-

M

M

S

T

E

R

E

A

M

L

I

T

E

D

Q

D

T

Q

K

R

I

A

Q

G

V

I

H

L

A

S

Q

S

V

V

P

P

M

A

H

N

R

R

S

P

G

G

T

D

V

A

D

K

E

E

I

I

A

A

N

S

A

A

V

V

L

A

F

F

L

L

A

A

S

S

H

D

D

E

S

A

A

G

Y

Y

V

I

T

T

G

G

I

E

E

T

L

L

C

H

V

V

D

N

G

G

W

M

A

Y

Q

M

V

I

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G11 (= G13), S13 (= S15), R14 (≠ A16), T36 (≠ R38), N58 (≠ D60), V59 (≠ N61), I88 (≠ G90)

3lf2A NADPH bound structure of the short chain oxidoreductase q9hya2 from pseudomonas aeruginosa pao1 containing an atypical catalytic center (see paper)
33% identity, 97% coverage: 4:245/249 of query aligns to 4:252/257 of 3lf2A

query
sites
3lf2A

L

L

D

S

G

E

K

A

V

V

A

A

V

V

I

V

T

T

G
|
G

G

G

S
|
S

A

S

G
|
G

M

I

G

G

L

L

A

A

T

T

A

V

R

E

L

L

F

L

L

L

R

E

E

A

G

G

A

A

T

A

V

V

I

A

V

F

T

C

G
x
A

R
|
R

D
|
D

E

G

A

E

A
x
R

L

L

E

R

A

A

K

E

-

S

-

A

-

L

R

R

D

Q

L

R

G

F

G

P

G

G

A

A

E

R

I

L

V

F

R

A

-

S

-

V

C

C

D
|
D

N
x
V

S

L

K

D

V

A

A

L

D

Q

I

V

E

R

S

A

L

F

S

A

A

E

Y

A

V

C

E

E

T

R

K

T

H

L

G

G

R

C

V

A

D

S

I

I

V

L

F

V

A

N

N

N

A

A

G

G

G

Q

G

G

R

R

P

V

A

S

L

T

F

F

E

A

H

E

T

T

S

T

E

D

D

E

D

A

F

W

D

S

F

E

M

E

I

L

D

Q

T

L

N

K

F

F

K

F

G

S

A

V

Y

I

F

H

T

P

V

V

Q

R

K

A

L

F

L

L

P

P

L

Q

V

L

-

E

-

S

K

R

A

A

G

D

A

A

S

A

V

I

I

V

L

C

N

V

T

N

S
|
S

T

L

L

L

S

A

T

S

Q

Q

G

P

R

E

P

P

Y

H

V

M

S

V

V

A

Y
x
T

S

S

A

A

K
x
R

A

A

A

G

I

V

R

K

S

N

L

L

A

V

R

R

S

S

L

M

S

A

V

F

E

E

L

F

S

A

E

P

R

K

G

G

I

V

R

R

V

V

N

N

A

G

L

I

A

L

P

I

G

G

Y

L

I

V

D

E

T

S

D

G

Q

Q

A

W

R

R

K

R

V

R

G

F

M

E

S
x
A

E

D

E

W

M

A

I

Q

E

W

Q

T

T

A

K

Q

I

L

Q

A

V

R

H

N

A

K

Q

Q

V

I

P

P

M

L

H

G

R

R

S

L

G

G

T

K

V

P

D

I

E

E

I

A

A

A

N

R

A

A

V

I

L

L

F

F

L

L

A

A

S

S

H

P

D

L

S

S

A

A

Y

Y

V

T

T

T

G

G

I

S

E

H

L

I

C

D

V

V

D

S

G

G

active site: G17 (= G17), S144 (= S137), T157 (≠ Y150), R161 (≠ K154), A201 (≠ S194)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G13 (= G13), S15 (= S15), A37 (≠ G37), R38 (= R38), D39 (= D39), R42 (≠ A42), D65 (= D60), V66 (≠ N61)

1vl8B Crystal structure of gluconate 5-dehydrogenase (tm0441) from thermotoga maritima at 2.07 a resolution
32% identity, 98% coverage: 4:246/249 of query aligns to 4:249/252 of 1vl8B

query
sites
1vl8B

L

L

D

R

G

G

K

R

V

V

A

A

V

L

I

V

T

T

G
|
G

G

G

S

S

A
x
R

G
|
G

M
x
L

G

G

L

F

A

G

T

I

A

A

R

Q

L

G

F

L

L

A

R

E

E

A

G

G

A

C

T

S

V

V

I

V

V

V

T

A

G
x
S

R
|
R

D

N

-

L

E

E

A

E

A

A

L

S

E

E

A

A

K

Q

R

K

-

L

-

T

-

E

D

K

L

Y

G

G

G

V

G

E

A

T

E

M

I

A

V

F

R

R

C
|
C

D
|
D

N
x
V

S

S

K

N

V

Y

A

E

D

E

I

V

E

K

S

K

L

L

S

L

A

E

Y

A

V

V

E

K

T

E

K

K

H

F

G

G

R

K

V

L

D

D

I

T

V

V

F

V

A

N

N
x
A

A
|
A

G
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G

G
x
I

G

N

R

R

P

R

A

H

L

P

F

A

E

E

H

E

T

F

S

P

E

L

D

D

D

E

F

F

D

R

F

Q

M

V

I

I

D

E

T
x
V

N

N

F

L

K

F

G

G

A

T

Y

Y

F

Y

T

V

V

C

Q

R

K

E

L

A

L

F

P

S

L

L

V

L

K

R

-

E

A

S

G

D

A

N

S

P

V

S

I

I

L

I

N

N

T
x
I

S

G

T
x
S

L

L

S

T

T

V

Q

E

-

E

-

V

G

T

R

M

P

P

Y

N

V
x
I

S

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V

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Y
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Y

S

A

A

A

A

S

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K

A

G

I

V

R

A

S

S

L

L

A

T

R

K

S

A

L

L

S

A

V

K

E

E

L

W

S

G

E

R

R

Y

G

G

I

I

R

R

V

V

N

N

A

V

L

I

A

A

P
|
P

G
|
G

Y

W

I
x
Y

D

R

T
|
T

D

K

Q
x
M

A
x
T

R

E

K

A

V

V

G

F

M

S

S

D

E

P

E

E

M

K

I

L

E

D

Q

-

T

-

K

-

I

-

Q

Y

V

M

H

L

A

K

Q

R

V

I

P

P

M

L

H

G

R

R

S

T

G

G

T

V

V

P

D

E

E

D

I

L

A

K

N

G

A

V

V

A

L

V

F

F

L

L

A

A

S

S

H

E

D

E

S

A

A

K

Y

Y

V

V

T

T

G

G

I

Q

E

I

L

I

C

F

V

V

D

D

G

G

W

W

active site: G17 (= G17), S143 (≠ T138), I154 (≠ V147), Y157 (= Y150), K161 (= K154)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G13), R16 (≠ A16), G17 (= G17), L18 (≠ M18), S37 (≠ G37), R38 (= R38), C63 (= C59), D64 (= D60), V65 (≠ N61), A91 (≠ N87), A92 (= A88), G93 (= G89), I94 (≠ G90), V114 (≠ T110), I141 (≠ T136), S143 (≠ T138), Y157 (= Y150), K161 (= K154), P187 (= P180), G188 (= G181), Y190 (≠ I183), T192 (= T185), M194 (≠ Q187), T195 (≠ A188)

1q7cA The structure of betaketoacyl-[acp] reductase y151f mutant in complex with NADPH fragment (see paper)
34% identity, 99% coverage: 3:249/249 of query aligns to 1:243/243 of 1q7cA

query
sites
1q7cA

K

N

L

F

D

E

G

G

K

K

V

I

A

A

V

L

I

V

T

T

G
|
G

G

A

S
|
S

A
x
R

G
|
G

M

I

G

G

L

R

A

A

T

I

A

A

R

E

L

T

F

L

L

A

R

A

E

R

G

G

A

A

T

K

V

V

I

I

V

G

T

T

G
x
A

R
x
T

D

S

E

E

A

N

A

G

L

A

E

Q

A

A

A

I

K

S

R

D

D

Y

L

L

G

G

G

A

G

N

A

G

E

K

I

G

V

L

R

M

C
x
L

D
x
N

N
x
V

S

T

K

D

V

P

A

A

D

S

I

I

E

E

S

S

L

V

S

L

A

E

Y

K

V

I

E

R

T

A

K

E

H

F

G

G

R

E

V

V

D

D

I

I

V

L

F

V

A

N

N

N

A

A

G
|
G

G
x
I

G

T

R

R

P

D

A

N

L

L

F

L

E

M

H

R

T

M

S

K

E

D

D

E

F

W

D

N

F

D

M

I

I

I

D

E

T

T

N

N

F

L

K

S

G

S

A

V

Y

F

F

R

T

L

V

S

Q

K

K

A

L

V

L

M

P

R

-

A

-

M

L

M

V

K

K

K

A

R

G

H

A

G

S

R

V

I

I

I

L

T

N

I

T

G

S
|
S

T

V

L

V

S

G

T

T

Q

M

G

G

R

N

P

G

Y

G

V
x
Q

S

A

V

N

Y
x
F

S

A

A

A

K
|
K

A

A

A

G

I

L

R

I

S

G

L

F

A

S

R

K

S

S

L

L

S

A

V

R

E

E

L

V

S

A

E

S

R

R

G

G

I

I

R

T

V

V

N

N

A

V

L

V

A

A

P

P

G

G

Y

F

I

I

D

E

T

T

D

D

Q

-

A

-

R

-

K

-

V

-

G

-

M

M

S

T

E

R

E

A

M

L

I

S

E

D

Q

D

T

Q

K

R

I

A

Q

G

V

I

H

L

A

A

Q

Q

V

V

P

P

M

A

H

G

R

R

S

L

G

G

T

G

V

A

D

Q

E

E

I

I

A

A

N

N

A

A

V

V

L

A

F

F

L

L

A

A

S

S

H

D

D

E

S

A

A

A

Y

Y

V

I

T

T

G

G

I

E

E

T

L

L

C

H

V

V

D

N

G

G

W

M

A

Y

Q

M

V

V

active site: G15 (= G17), S137 (= S137), Q147 (≠ V147), F150 (≠ Y150), K154 (= K154)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G11 (= G13), S13 (= S15), R14 (≠ A16), A35 (≠ G37), T36 (≠ R38), L57 (≠ C59), N58 (≠ D60), V59 (≠ N61), G87 (= G89), I88 (≠ G90)

Query Sequence

>N515DRAFT_0334 N515DRAFT_0334 NAD(P)-dependent dehydrogenase, short-chain alcohol dehydrogenase family
MGKLDGKVAVITGGSAGMGLATARLFLREGATVIVTGRDEAALEAAKRDLGGGAEIVRCD
NSKVADIESLSAYVETKHGRVDIVFANAGGGRPALFEHTSEDDFDFMIDTNFKGAYFTVQ
KLLPLVKAGASVILNTSTLSTQGRPYVSVYSAAKAAIRSLARSLSVELSERGIRVNALAP
GYIDTDQARKVGMSEEMIEQTKIQVHAQVPMHRSGTVDEIANAVLFLASHDSAYVTGIEL
CVDGGWAQV

Or try a new SitesBLAST search

SitesBLAST's Database

SitesBLAST's database includes (1) SwissProt entries with experimentally-supported functional features; and (2) protein structures with bound ligands, from the BioLip database.

by Morgan Price, Arkin group
Lawrence Berkeley National Laboratory