SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing 5210421 Shew_2862 short chain dehydrogenase (RefSeq) 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)

3uf0A Crystal structure of a putative NAD(p) dependent gluconate 5- dehydrogenase from beutenbergia cavernae(efi target efi-502044) with bound NADP (low occupancy)
41% identity, 97% coverage: 7:253/255 of query aligns to 3:246/249 of 3uf0A

query
sites
3uf0A

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active site: G18 (= G22), S141 (= S148), V151 (≠ Q158), Y154 (= Y161), K158 (= K165)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G14 (= G18), S17 (≠ R21), G18 (= G22), I19 (= I23), R39 (= R43), D63 (≠ H68), L64 (≠ V69), N89 (= N95), G91 (vs. gap), I92 (vs. gap), I139 (≠ T146), A140 (= A147), S141 (= S148), Y154 (= Y161), K158 (= K165), P184 (= P191), G185 (= G192), V187 (≠ T194), T189 (= T196), N191 (≠ F198), T192 (≠ A199)

1vl8B Crystal structure of gluconate 5-dehydrogenase (tm0441) from thermotoga maritima at 2.07 a resolution
38% identity, 98% coverage: 6:254/255 of query aligns to 1:250/252 of 1vl8B

query
sites
1vl8B

L

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active site: G17 (= G22), S143 (= S148), I154 (= I160), Y157 (= Y161), K161 (= K165)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G18), R16 (= R21), G17 (= G22), L18 (≠ I23), S37 (= S42), R38 (= R43), C63 (= C67), D64 (≠ H68), V65 (= V69), A91 (≠ N95), A92 (= A96), G93 (≠ A97), I94 (≠ T98), V114 (= V119), I141 (≠ T146), S143 (= S148), Y157 (= Y161), K161 (= K165), P187 (= P191), G188 (= G192), Y190 (≠ T194), T192 (= T196), M194 (≠ F198), T195 (≠ A199)

2zatA Crystal structure of a mammalian reductase (see paper)
39% identity, 96% coverage: 9:252/255 of query aligns to 3:246/251 of 2zatA

query
sites
2zatA

L

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active site: G16 (= G22), S142 (= S148), L152 (≠ Q158), Y155 (= Y161), K159 (= K165), K200 (≠ D206)
binding nadp nicotinamide-adenine-dinucleotide phosphate: A12 (≠ G18), T14 (≠ S20), D15 (≠ R21), G16 (= G22), I17 (= I23), S36 (= S42), R37 (= R43), K38 (= K44), N41 (≠ G47), H62 (= H68), N89 (= N95), A91 (= A97), V140 (≠ T146), S142 (= S148), Y155 (= Y161), K159 (= K165), P185 (= P191), G186 (= G192), I188 (≠ T194), T190 (= T196), F192 (= F198), S193 (≠ A199)

Q8WNV7 Dehydrogenase/reductase SDR family member 4; NADPH-dependent carbonyl reductase; CR; PHCR; NADPH-dependent retinol dehydrogenase/reductase; NDRD; Peroxisomal carbonyl reductase; PerCR; Peroxisomal short-chain alcohol dehydrogenase; PSCD; Short chain dehydrogenase/reductase family 25C member 2; Protein SDR25C2; EC 1.1.1.184; EC 1.1.1.300 from Sus scrofa (Pig) (see 2 papers)
39% identity, 96% coverage: 9:252/255 of query aligns to 31:274/279 of Q8WNV7

query
sites
Q8WNV7

L

L

S

E

G

N

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A

A

L
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L

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V

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N

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N

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F

F

F

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D

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L

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N

F

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G

37:61 (vs. 15:39, 60% identical) binding
F177 (≠ G155) Responsible for the stereoselective reduction of 3-ketosteroids into 3alpha-hydroxysteroids and benzil into S-benzoin; mutation to S: Change in stereoselective activity by the reduction of 3-ketosteroids and benzil into 3beta-hydroxysteroid and R-benzoin, respectively; when associated with F-180.
L180 (≠ Q158) Responsible for the stereoselective reduction of 3-ketosteroids into 3alpha-hydroxysteroids and benzil into S-benzoin; mutation to F: Change in stereoselective activity by the reduction of 3-ketosteroids and benzil into 3beta-hydroxysteroid and R-benzoin, respectively; when associated with S-177.
Y183 (= Y161) active site, Proton acceptor
K187 (= K165) binding
N196 (≠ A174) Important for the maintenance of the quaternary structure, the catalytic activity and cold stability

Sites not aligning to the query:

277:279 Peroxisomal targeting signal

Q9BTZ2 Dehydrogenase/reductase SDR family member 4; NADPH-dependent carbonyl reductase; CR; NADPH-dependent retinol dehydrogenase/reductase; NRDR; humNRDR; Peroxisomal short-chain alcohol dehydrogenase; PSCD; SCAD-SRL; Short chain dehydrogenase/reductase family 25C member 2; Protein SDR25C2; Short-chain dehydrogenase/reductase family member 4; EC 1.1.1.184 from Homo sapiens (Human) (see 2 papers)
38% identity, 96% coverage: 9:252/255 of query aligns to 30:273/278 of Q9BTZ2

query
sites
Q9BTZ2

L

L

S

A

G

N

R

K

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A

A

L

L

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V

T

T

G

A

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G

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K

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K

-

H

H

G

G

R

G

L

I

D

D

I

I

L

L

V

V

N

S

N

N

A

A

T

V

N

N

P

P

Y

F

F

F

G

G

H

S

I

I

L

M

D

D

T

V

D

T

L

E

N

E

A

V

F

W

N

D

K

K

T

T

M

L

E

D

V

I

N

N

L

V

R

K

G

A

Y

P

F

A

F

L

M

M

S

T

V

K

T

A

A

V

G

V

R

P

M

E

M

M

R

E

E

K

Q

R

G

G

H

G

G

G

V

S

I

V

L

V

N

I

T

V

A

S

S

S

V

I

N

A

A

A

L

F

Q

S

P

P

G
x
S

E

P

M

G

Q
x
F

G

S

I

P

Y

Y

S

N

I

V

S

S

K

K

A

T

A

A

V

L

S

G

M

L

T

T

K

K

A
x
T

F

L

A

A

K

I

E

E

C

L

A

A

P

P

L

R

G

N

I

I

R

R

C

V

N

N

A

C

L

L

L

A

P

P

G

G

F

L

T

I

K

K

T

T

Q

S

F

F

A

S

G

R

A

M

L

L

F

W

N

M

N

D

D

K

K

E

I

K

Y

E

Q

E

Q

S

L

M

I

K

A

E

R

T

I

L

P

R

M

I

G

R

R

R

H

L

A

G

V

E

P

P

S

E

E

D

M

C

A

A

G

G

A

I

V

V

L

S

Y

F

L

L

V

C

S

S

D

E

A

D

S

A

S

S

Y

Y

T

I

T

T

G

G

E

E

T

T

L

V

V

V

D

G

G

G

S176 (≠ G155) Responsible for the stereoselective reduction of 3-ketosteroids into 3beta-hydroxysteroids and benzil into R-benzoin; mutation to F: Decreased reduction activity for benzil, isatin and retinal and increased activity for 5beta-Pregnane-3,20-dione and 5beta-Dihydrotestosterone. No change of stereoselectivity in 3-ketosteroids reduction and no change in 3beta-hydroxysteroid oxidation. Decreased reduction activity for isatin and increased activity for 5beta-Pregnane-3,20-dione, 5beta-Dihydrotestosterone, benzil and retinal; when associated with L-179. Change in stereoselective activity by the reduction of 5beta-Pregnane-3,20-dione predominantly to the 3alpha-hydroxysteroid; when associated with L-179. Switch from 3beta-hydroxysteroid to 3alpha-hydroxysteroid oxidation; when associated with L-179. Loss of cold catalytic inactivation; when associated with L-179 and N-195. Increased reduction activity for renital and oxidation activity for retinol; when associated with L-179 and N-195.
F179 (≠ Q158) Responsible for the stereoselective reduction of 3-ketosteroids into 3beta-hydroxysteroids and benzil into R-benzoin; mutation to L: Decreased reduction activity for isatin and increased activity for 5beta-Pregnane-3,20-dione, 5beta-Dihydrotestosterone, benzil and retinal; when associated with F-176. Change in stereoselective activity by the reduction of 5beta-Pregnane-3,20-dione predominantly to the 3alpha-hydroxysteroid; when associated with F-176. Switch from 3beta-hydroxysteroid to 3alpha-hydroxysteroid oxidation; when associated with F-176. Loss of cold catalytic inactivation; when associated with F-176 and N-195. Increased reduction activity for renital and oxidation activity for retinol; when associated with F-176 and N-195.
T195 (≠ A174) mutation to N: Loss of cold catalytic inactivation. Loss of cold catalytic inactivation; when associated with F-176 and L-179. Switch in stereoselective activity from 3beta-hydroxysteroid to 3alpha-hydroxysteroid oxidation; when associated with F-176 and L-179. Increased reduction activity for renital and oxidation activity for retinol; when associated with F-176 and L-179.

3o4rA Crystal structure of human dehydrogenase/reductase (sdr family) member 4 (dhrs4)
38% identity, 96% coverage: 9:252/255 of query aligns to 6:249/254 of 3o4rA

query
sites
3o4rA

L

L

S

A

G

N

R

K

I

V

A

A

L

L

V

V

T

T

G
x
A

A

S

S
x
T

R
x
D

G
|
G

I
|
I

G

G

A

F

A

A

I

I

A

A

E

R

L

R

L

L

A

A

A

Q

Y

D

G

G

A

A

H

H

V

V

I

V

V

V

A

S

S
|
S

R
|
R

K
|
K

A

Q

E

Q

G
x
N

C

V

Q

D

T

Q

V

A

A

V

E

A

Q

T

I

L

I

Q

D

G

N

E

G

G

G

L

S

S

A

V

E

T

A

G

M

T

A

V

C

C

H
|
H

V
|
V

G

G

-

K

-

A

-

E

D

D

L

R

E

E

A

R

I

L

Q

V

A

A

T

T

F

A

E

V

Q

K

I

L

Q

-

A

-

K

-

H

H

G

G

R

G

L

I

D

D

I

I

L

L

V

V

N

S

N
|
N

A

A

A
|
A

T

V

N

N

P

P

Y

F

F

F

G

G

H

S

I

I

L

M

D

D

T

V

D

T

L

E

N

E

A

V

F

W

N

D

K

K

T

T

M

L

E

D

V

I

N

N

L

V

R

K

G

A

Y

P

F

A

F

L

M

M

S

T

V

K

T

A

A

V

G

V

R

P

M

E

M

M

R

E

E

K

Q

R

G

G

H

G

G

G

V

S

I

V

L

V

N

I

T

V

A

S

S
|
S

V

I

N

A

A

A

L

F

Q

S

P

P

G

S

E

P

M

G

Q
x
F

G

S

I

P

Y
|
Y

S

N

I

V

S

S

K
|
K

A

T

A

A

V

L

S

G

M

L

T

T

K

K

A

T

F

L

A

A

K

I

E

E

C

L

A

A

P

P

L

R

G

N

I

I

R

R

C

V

N

N

A

C

L

L

L

A

P
|
P

G
|
G

F
x
L

T
x
I

K

K

T
|
T

Q

S

F
|
F

A
x
S

G

R

A

M

L

L

F

W

N

M

N

D

D
x
K

K

E

I

K

Y

E

Q

E

Q

S

L

M

I

K

A

E

R

T

I

L

P

R

M

I

G

R

R

R

H

L

A

G

V

E

P

P

S

E

E

D

M

C

A

A

G

G

A

I

V

V

L

S

Y

F

L

L

V

C

S

S

D

E

A

D

S

A

S

S

Y

Y

T

I

T

T

G

G

E

E

T

T

L

V

V

V

D

G

G

G

active site: G19 (= G22), S145 (= S148), F155 (≠ Q158), Y158 (= Y161), K162 (= K165), K203 (≠ D206)
binding nadp nicotinamide-adenine-dinucleotide phosphate: A15 (≠ G18), T17 (≠ S20), D18 (≠ R21), G19 (= G22), I20 (= I23), S39 (= S42), R40 (= R43), K41 (= K44), N44 (≠ G47), H65 (= H68), V66 (= V69), N92 (= N95), A94 (= A97), S145 (= S148), Y158 (= Y161), K162 (= K165), P188 (= P191), G189 (= G192), L190 (≠ F193), I191 (≠ T194), T193 (= T196), F195 (= F198), S196 (≠ A199)

4jroC Crystal structure of 3-oxoacyl-[acyl-carrier protein]reductase (fabg) from listeria monocytogenes in complex with NADP+
38% identity, 97% coverage: 9:255/255 of query aligns to 3:247/247 of 4jroC

query
sites
4jroC

L

L

S

Q

G

G

R

K

I

V

A

A

L

V

V

V

T

T

G
|
G

A

G

S
|
S

R
|
R

G
|
G

I
|
I

G

G

A

R

A

D

I

I

A

A

E

I

L

N

L

L

A

A

A

K

Y

E

G

G

A

A

H

N

V

I

I

F

V

F

A
x
N

-
x
Y

S
x
N

R
x
G

K
x
S

A

P

E

E

G

A

C

A

Q

E

T

E

V

T

A

A

E

K

Q

L

I

V

I

A

D

E

N

H

G

G

G

V

S

E

A

V

E

E

A

A

M

M

A

K

C

A

H
x
N

V
|
V

G

A

D

I

L

A

E

E

A

D

I

V

Q

D

A

A

T

F

F

F

E

K

Q

Q

I

A

Q

I

A

E

K

R

H

F

G

G

R

R

L

V

D

D

I

I

L

L

V

V

N

N

N
|
N

A
|
A

A

G

T
x
I

N

T

P

R

Y

D

F

-

G

N

H

L

I

L

L

M

D

R

T

M

D

K

L

E

N

D

A

E

F

W

N

D

K

D

T

V

M

I

E

N

V
x
I

N

N

L

L

R

K

G

G

Y

T

F

F

F

L

M

C

S

T

V

K

T

A

A

V

G

S

R

R

M

T

M

M

R

M

E

K

Q

Q

G

R

H

A

G

G

V

K

I

I

L

I

N

N

T

M

A

A

S
|
S

V

V

N

V

A

G

L

L

Q

I

P

G

G

N

E

A

M

G

Q
|
Q

G

A

I

N

Y
|
Y

S

V

I

A

S

S

K
|
K

A

A

A

G

V

V

V

I

S

G

M

L

T

T

K

K

A

T

F

T

A

A

K

R

E

E

C

L

A

A

P

P

L

R

G

G

I

I

R

N

C

V

N

N

A

A

L

V

L

A

P
|
P

G

G

F

F

T
x
I

K

T

T
|
T

Q

D

F

M

A

T

G

D

A

K

L

L

F

-

N

-

N

D

D

E

K

K

I

T

Y

K

Q

E

Q

A

L

M

I

L

A

A

R

Q

I

I

P

P

M

L

G

G

R

A

H

Y

A

G

V

T

P

T

S

E

E

D

M

I

A

A

G

N

A

A

V

V

L

L

Y

F

L

L

V

A

S

S

D

D

A

A

S

S

S

K

Y

Y

T

I

T

T

G

G

E

Q

T

T

L

L

V

S

V

V

D

D

G

G

L

M

T

V

L

M

active site: G16 (= G22), S142 (= S148), Q152 (= Q158), Y155 (= Y161), K159 (= K165)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G18), S14 (= S20), R15 (= R21), G16 (= G22), I17 (= I23), N35 (≠ A41), Y36 (vs. gap), N37 (≠ S42), G38 (≠ R43), S39 (≠ K44), N63 (≠ H68), V64 (= V69), N90 (= N95), A91 (= A96), I93 (≠ T98), I113 (≠ V119), S142 (= S148), Y155 (= Y161), K159 (= K165), P185 (= P191), I188 (≠ T194), T190 (= T196)

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)
39% identity, 97% coverage: 6:253/255 of query aligns to 3:244/247 of 3op4A

query
sites
3op4A

L

F

F

M

D

N

L

L

S

E

G

G

R

K

I

V

A

A

L

L

V

V

T

T

G
|
G

A

A

S
|
S

R
|
R

G

G

I
|
I

G

G

A

K

A

A

I

I

A

A

E

E

L

L

A

A

A

E

Y

R

G

G

A

A

H

K

V

V

I

I

V

G

A

T

S

A

R
x
T

K

S

A

E

E

S

G

G

C

A

Q

Q

T

A

V

I

A

S

E

D

Q

Y

I

L

I

G

D

D

N

N

G

G

G

-

S

-

A

-

E

K

A

G

M

M

A

A

C

L

H
x
N

V
|
V

G

T

D

N

L

P

E

E

A

S

I

I

Q

E

A

A

T

V

F

L

E

K

Q

A

I

I

Q

T

A

D

K

E

H

F

G

G

R

G

L

V

D

D

I

I

L

L

V

V

N

N

N
|
N

A
|
A

A

G

T
x
I

N

T

P

-

Y

R

F

D

G

N

H

L

I

L

L

M

D

R

T

M

D

K

L

E

N

E

A

E

F

W

N

S

K

D

T

I

M

M

E

E

V

T

N

N

L

L

R

T

G

S

Y

I

F

F

F

R

M

L

S

S

V

K

T

A

A

V

G

L

R

R

M

G

M

M

R

M

E

K

Q

K

G

R

H

Q

G

G

V

R

I

I

L

I

N

N

T
x
V

A

G

S
|
S

V

V

N

V

A

G

L

T

Q

M

P

G

G

N

E

A

M

G

Q

Q

G

A

I

N

Y
|
Y

S

A

I

A

S

A

K
|
K

A

A

A

G

V

V

V

I

S

G

M

F

T

T

K

K

A

S

F

M

A

A

K

R

E

E

C

V

A

A

P

S

L

R

G

G

I

V

R

T

C

V

N

N

A

T

L

V

L

A

P
|
P

G
|
G

F

F

T
x
I

K

E

T
|
T

Q

D

F
x
M

A

T

G

K

A

A

L

L

F

-

N

-

N

N

D

D

K

E

I

Q

Y

R

Q

T

Q

A

L

T

I

L

A

A

R

Q

I

V

P

P

M

A

G

G

R

R

H

L

A

G

V

D

P

P

S

R

E

E

M

I

A

A

G

S

A

A

V

V

L

A

Y

F

L

L

V

A

S

S

D

P

A

E

S

A

Y

Y

T

I

T

T

G

G

E

E

T

T

L

L

V

H

V

V

D

N

G

G

L

M

binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G18), S17 (= S20), R18 (= R21), I20 (= I23), T40 (≠ R43), N62 (≠ H68), V63 (= V69), N89 (= N95), A90 (= A96), I92 (≠ T98), V139 (≠ T146), S141 (= S148), Y154 (= Y161), K158 (= K165), P184 (= P191), G185 (= G192), I187 (≠ T194), T189 (= T196), M191 (≠ F198)

7do7A Crystal structure of azotobacter vinelandii l-rhamnose 1- dehydrogenase(NAD and l-rhamnose bound-form) (see paper)
37% identity, 95% coverage: 12:253/255 of query aligns to 6:251/256 of 7do7A

query
sites
7do7A

R

K

I

T

A

V

L

I

V

V

T

T

G
|
G

A

A

S

S

R
|
R

G
|
G

I
|
I

G

G

A

R

A

A

I

A

A

A

E

R

L

E

L

C

A

A

A

R

Y

Q

G

G

A

A

H

R

V

V

I

V

V

I

A

G

S

H

R
x
S

K

G

A

S

E

D

-

E

-

G

-

R

-

A

G

G

C

A

Q

L

T

S

V

L

A

A

E

E

Q

E

I

I

I

A

D

A

N

F

G

G

S

T

A

A

E

I

A

A

M

V

A

G

C

A

H
x
D

V
x
A

G

A

D

D

L

L

E

D

A

S

I

G

Q

E

A

K

T

L

F

V

E

A

Q

A

I

A

Q

V

A

E

K

A

H

F

G

G

R

S

L

V

D

D

I

V

L

L

V

V

N

N

N
|
N

A
|
A

A
x
G

T
x
I

N

C

P

P

Y

-

F
|
F

G

H

H

S

I

F

L

L

D

D

T

M

D

P

L

R

N

E

A

L

F

Y

N

L

K

K

T

T

M

V

E

G

V

T

N

N

L

L

R

N

G

G

Y

A

F

Y

F

F

M

T

S

V

V

Q

T

A

A

A

G

A

R

R

M

R

M

M

R

K

E

E

Q

Q

G

G

H

R

G

G

-

G

V

A

I

I

L

I

N

A

T
x
V

A
x
S

S
|
S

V

I

N
x
S

A

A

L

L

Q

V

P

G

G

G

E

A

M

M

Q
|
Q

G

T

I

H

Y
|
Y

S

T

I

P

S

T

K
|
K

A

A

A

G

V

L

S

S

M

L

T

M

K

Q

A

S

F

C

A

A

K

I

E

A

C

L

A

G

P

P

L

Y

G

G

I

I

R

R

C

C

N

N

A

A

L

V

L

L

P
|
P

G
|
G

F

T

T
x
I

K

A

T
|
T

Q

D

F
x
I

A
x
N

G

K

A

E

L

D

F

L

N

S

N

D

D

L

K

E

I

K

Y

R

Q

E

Q

R

L

M

I

T

A

S

R

R

I

V

P

P

M

L

G

G

R

R

H

L

A

G

V

E

P

P

S

D

E

D

M

L

A

A

G

G

A

P

V

I

L

V

Y

F

L

L

V

A

S

S

D
|
D

A
x
M

S

A

S
x
R

Y

Y

T

V

T

T

G

G

E

A

T

S

L

L

V

L

V

V

D

D

G

G

L

L

active site: G16 (= G22), S146 (= S148), Y159 (= Y161)
binding nicotinamide-adenine-dinucleotide: G12 (= G18), R15 (= R21), G16 (= G22), I17 (= I23), S37 (≠ R43), D66 (≠ H68), A67 (≠ V69), N93 (= N95), A94 (= A96), G95 (≠ A97), I96 (≠ T98), V144 (≠ T146), S145 (≠ A147), S146 (= S148), Y159 (= Y161), K163 (= K165), P189 (= P191), G190 (= G192), I192 (≠ T194), T194 (= T196), I196 (≠ F198)
binding beta-L-rhamnopyranose: F99 (= F102), S146 (= S148), S148 (≠ N150), Q156 (= Q158), Y159 (= Y161), N197 (≠ A199), D235 (= D237), M236 (≠ A238), R238 (≠ S240)

7b81A Crystal structure of azotobacter vinelandii l-rhamnose 1-dehydrogenase (NAD bound-form) (see paper)
37% identity, 95% coverage: 12:253/255 of query aligns to 6:251/256 of 7b81A

query
sites
7b81A

R

K

I

T

A

V

L

I

V

V

T

T

G
|
G

A

A

S
|
S

R
|
R

G
|
G

I
|
I

G

G

A

R

A

A

I

A

A

A

E

R

L

E

L

C

A

A

A

R

Y

Q

G

G

A

A

H

R

V

V

I

V

V

I

A

G

S

H

R

S

K

G

A

S

E

D

-

E

-

G

-

R

-

A

G

G

C

A

Q

L

T

S

V

L

A

A

E

E

Q

E

I

I

I

A

D

A

N

F

G

G

S

T

A

A

E

I

A

A

M

V

A

G

C

A

H
x
D

V
x
A

G

A

D

D

L

L

E

D

A

S

I

G

Q

E

A

K

T

L

F

V

E

A

Q

A

I

A

Q

V

A

E

K

A

H

F

G

G

R

S

L

V

D

D

I

V

L

L

V

V

N

N

N
|
N

A
|
A

A
x
G

T
x
I

N

C

P

P

Y

-

F

F

G

H

H

S

I

F

L

L

D

D

T

M

D

P

L

R

N

E

A

L

F

Y

N

L

K

K

T

T

M

V

E

G

V
x
T

N

N

L

L

R

N

G

G

Y

A

F

Y

F

F

M

T

S

V

V

Q

T

A

A

A

G

A

R

R

M

R

M

M

R

K

E

E

Q

Q

G

G

H

R

G

G

-

G

V

A

I

I

L

I

N

A

T
x
V

A

S

S
|
S

V

I

N

S

A

A

L

L

Q

V

P

G

G

G

E

A

M

M

Q

Q

G

T

I

H

Y
|
Y

S

T

I

P

S

T

K
|
K

A

A

A

G

V

L

S

S

M

L

T

M

K

Q

A

S

F

C

A

A

K

I

E

A

C

L

A

G

P

P

L

Y

G

G

I

I

R

R

C

C

N

N

A

A

L

V

L

L

P
|
P

G
|
G

F

T

T
x
I

K

A

T
|
T

Q

D

F
x
I

A

N

G

K

A

E

L

D

F

L

N

S

N

D

D

L

K

E

I

K

Y

R

Q

E

Q

R

L

M

I

T

A

S

R

R

I

V

P

P

M

L

G

G

R

R

H

L

A

G

V

E

P

P

S

D

E

D

M

L

A

A

G

G

A

P

V

I

L

V

Y

F

L

L

V

A

S

S

D

D

A

M

S

A

S

R

Y

Y

T

V

T

T

G

G

E

A

T

S

L

L

V

L

V

V

D

D

G

G

L

L

active site: G16 (= G22), S146 (= S148), Y159 (= Y161)
binding nicotinamide-adenine-dinucleotide: G12 (= G18), S14 (= S20), R15 (= R21), I17 (= I23), D66 (≠ H68), A67 (≠ V69), N93 (= N95), A94 (= A96), G95 (≠ A97), I96 (≠ T98), T116 (≠ V119), V144 (≠ T146), S146 (= S148), Y159 (= Y161), K163 (= K165), P189 (= P191), G190 (= G192), I192 (≠ T194), T194 (= T196), I196 (≠ F198)

4i08A Crystal structure of beta-ketoacyl-acyl carrier protein reductase (fabg) from vibrio cholerae in complex with NADPH (see paper)
38% identity, 97% coverage: 6:253/255 of query aligns to 3:240/243 of 4i08A

query
sites
4i08A

L

F

F

M

D

N

L

L

S

E

G

G

R

K

I

V

A

A

L

L

V

V

T

T

G
|
G

A

A

S
|
S

R
|
R

G
|
G

I
|
I

G

G

A

K

A

A

I

I

A

A

E

E

L

L

A

A

A

E

Y

R

G

G

A

A

H

K

V

V

I

I

V

G

A

T

S

A

R
x
T

K

S

A

E

E

S

G

G

C

A

Q

Q

T

A

V

I

A

S

E

D

Q

Y

I

L

I

G

D

D

N

N

G

G

G

-

S

-

A

-

E

K

A

G

M

M

A

A

C

L

H
x
N

V
|
V

G

T

D

N

L

P

E

E

A

S

I

I

Q

E

A

A

T

V

F

L

E

K

Q

A

I

I

Q

T

A

D

K

E

H

F

G

G

R

G

L

V

D

D

I

I

L

L

V

V

N

N

N
|
N

A
|
A

A

G

T

I

N

T

P

-

Y

R

F

D

G

N

H

L

I

L

L

M

D

R

T

M

D

K

L

E

N

E

A

E

F

W

N

S

K

D

T

I

M

M

E

E

V

T

N
|
N

L

L

R

T

G

S

Y

I

F

F

F

R

M

L

S

S

V

K

T

A

A

V

G

L

R

R

M

G

M

M

R

M

E

K

Q

K

G

R

H

Q

G

G

V

R

I

I

L

I

N

N

T

V

A
x
G

S
|
S

V

V

N

V

A

G

L

T

Q

M

P

G

G

N

E

A

M

G

Q
|
Q

G

A

I

N

Y
|
Y

S

A

I

A

S

A

K
|
K

A

A

A

G

V

V

V

I

S

G

M

F

T

T

K

K

A

S

F

M

A

A

K

R

E

E

C

V

A

A

P

S

L

R

G

G

I

V

R

T

C

V

N

N

A

T

L

V

L

A

P
|
P

G
|
G

F

F

T

I

K

E

T
|
T

Q

D

F

M

A

-

G

-

A

-

L

-

F

-

N

-

N

N

D

D

K

E

I

Q

Y

R

Q

T

Q

A

L

T

I

L

A

A

R

Q

I

V

P

P

M

A

G

G

R

R

H

L

A

G

V

D

P

P

S

R

E

E

M

I

A

A

G

S

A

A

V

V

L

A

Y

F

L

L

V

A

S

S

D

P

A

E

S

A

Y

Y

T

I

T

T

G

G

E

E

T

T

L

L

V

H

V

V

D

N

G

G

L

M

active site: G19 (= G22), N113 (= N120), S141 (= S148), Q151 (= Q158), Y154 (= Y161), K158 (= K165)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G15 (= G18), S17 (= S20), R18 (= R21), I20 (= I23), T40 (≠ R43), N62 (≠ H68), V63 (= V69), N89 (= N95), A90 (= A96), G140 (≠ A147), S141 (= S148), Y154 (= Y161), K158 (= K165), P184 (= P191), G185 (= G192), T189 (= T196)

6t77A Crystal structure of klebsiella pneumoniae fabg(NADPH-dependent) NADP- complex at 1.75 a resolution (see paper)
38% identity, 97% coverage: 7:253/255 of query aligns to 1:241/244 of 6t77A

query
sites
6t77A

F

M

D

S

L

F

S

E

G

G

R

K

I

I

A

A

L

L

V

V

T

T

G
|
G

A

A

S
|
S

R
|
R

G
|
G

I

I

G

G

A

R

A

A

I

I

A

A

E

E

L

T

L

L

A

V

A

A

Y

R

G

G

A

A

H

K

V

V

I

I

V

G

A

T

S

A

R
x
T

K

S

A

E

E

S

G

G

C

A

Q

Q

T

A

V

I

A

S

E

D

Q

Y

I

L

I

G

D

A

N

N

G

G

G

-

S

-

A

-

E

K

A

G

M

L

A

M

C
x
L

H
x
N

V
|
V

G

T

D

D

L

P

E

A

A

S

I

I

Q

E

A

S

T

V

F

L

E

E

Q

N

I

V

Q

R

A

A

K

E

H

F

G

G

R

E

L

V

D

D

I

I

L

L

V

V

N

N

A
|
A

A
x
G

T
x
I

N

T

P

-

Y

R

F

D

G

N

H

L

I

L

L

M

D

R

T

M

D

K

L

D

N

D

A

E

F

W

N

N

K

D

T

I

M

I

E

E

V

T

N

N

L

L

R

S

G

S

Y

V

F

F

F

R

M

L

S

S

V

K

T

A

A

V

G

M

R

R

M

A

M

M

R

M

E

K

Q

K

G

R

H

H

G

G

V

R

I

I

L

I

N

T

T

I

A

G

S
|
S

V

V

N

V

A

G

L

T

Q

M

P

G

G

N

E

A

M

G

Q

Q

G

A

I

N

Y
|
Y

S

A

I

A

S

A

K

K

A

A

A

G

V

L

V

I

S

G

M

F

T

S

K

K

A

S

F

L

A

A

K

R

E

E

C

V

A

A

P

S

L

R

G

G

I

I

R

T

C

V

N

N

A

V

L

V

L

A

P

P

G

G

F

F

T

I

K

E

T

T

Q

D

F

M

A

T

G

R

A

A

L

L

F

-

N

-

N

T

D

D

K

E

I

Q

Y

R

Q

A

Q

G

L

T

I

L

A

A

R

A

I

V

P

P

M

A

G

G

R

R

H

L

A

G

V

T

P

P

S

N

E

E

M

I

A

A

G

S

A

A

V

V

L

A

Y

F

L

L

V

A

S

S

D

D

A

E

S

A

S

S

Y

Y

T

I

T

T

G

G

E

E

T

T

L

L

V

H

V

V

D

N

G

G

L

M

active site: G16 (= G22), S138 (= S148), Y151 (= Y161)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G18), S14 (= S20), R15 (= R21), T37 (≠ R43), L58 (≠ C67), N59 (≠ H68), V60 (= V69), A87 (= A96), G88 (≠ A97), I89 (≠ T98)

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)
37% identity, 98% coverage: 7:255/255 of query aligns to 1:243/244 of P0AEK2

query
sites
P0AEK2

F

M

D

N

L

F

S

E

G

G

R

K

I

I

A

A

L

L

V

V

T

T

G
|
G

A
|
A

S
|
S

R
|
R

G

G

I

I

G

G

A

R

A

A

I

I

A

A

E

E

L

T

L

L

A

A

Y

R

G

G

A

A

H

K

V

V

I

I

V

G

A

T

S

A

R
x
T

K

S

A

E

E

N

G

G

C

A

Q

Q

T

A

V

I

A

S

E

D

Q

Y

I

L

I

G

D

A

N

N

G

G

G

-

S

-

A

-

E

K

A

G

M

L

A

M

C

L

H
x
N

V
|
V

G

T

D

D

L

P

E

A

A

S

I

I

Q

E

A

S

T

V

F

L

E

E

Q

K

I

I

Q

R

A

A

K

E

H

F

G

G

R

E

L

V

D

D

I

I

L

L

V

V

N

N

N
|
N

A

A

A

G

T

I

-

T

-

R

N

D

P

N

Y

L

F

L

G

M

H

R

I

M

L

K

D

D

T

E

D

E

L

-

N

-

A

-

F

W

N

N

K

D

T

I

M

I

E

E

V

T

N

N

L

L

R

S

G

S

Y

V

F

F

F

R

M

L

S

S

V

K

T

A

A

V

G

M

R

R

M

A

M

M

R

M

E

K

Q

K

G

R

H

H

G

G

V

R

I

I

L

I

N

T

T

I

A

G

S

S

V

V

N

V

A

G

L

T

Q

M

P

G

G

N

E

G

M

G

Q

Q

G

A

I

N

Y
|
Y

S
x
A

I
x
A

S
x
A

K
|
K

A

A

A

G

V

L

V

I

S

G

M

F

T

S

K

K

A

S

F

L

A

A

K

R

E

E

C

V

A

A

P

S

L

R

G

G

I

I

R

T

C

V

N

N

A

V

L

V

L

A

P

P

G

G

F

F

T
x
I

K

E

T

T

Q

D

F

M

A

T

G

R

A

A

L

L

F

S

N

D

D

Q

K

R

I

-

Y

-

Q

A

Q

G

L

I

I

L

A

A

R

Q

I

V

P

P

M

A

G

G

R

R

H

L

A

G

V

G

P

A

S

Q

E

E

M

I

A

A

G

N

A

A

V

V

L

A

Y

F

L

L

V

A

S

S

D

D

A

E

S

A

Y

Y

T

I

T

T

G

G

E
|
E

T

T

L

L

V

H

V

V

D

N

G

G

L

M

T

Y

L

M

GASR 12:15 (= GASR 18:21) binding
T37 (≠ R43) binding
NV 59:60 (≠ HV 68:69) binding
N86 (= N95) binding
Y151 (= Y161) mutation to F: Defect in the affinity for NADPH.
YAAAK 151:155 (≠ YSISK 161:165) binding
A154 (≠ S164) mutation to T: Decreases in the thermolability of the reductase; when associated with K-233.
K155 (= K165) mutation to A: Defect in the affinity for NADPH.
I184 (≠ T194) binding
E233 (= E245) 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)
37% identity, 97% coverage: 8:255/255 of query aligns to 1:242/243 of 1q7bA

query
sites
1q7bA

D

N

L

F

S

E

G

G

R

K

I

I

A

A

L

L

V

V

T

T

G
|
G

A

A

S
|
S

R
|
R

G
|
G

I

I

G

G

A

R

A

A

I

I

A

A

E

E

L

T

L

L

A

A

Y

R

G

G

A

A

H

K

V

V

I

I

V

G

A

T

S

A

R
x
T

K

S

A

E

E

N

G

G

C

A

Q

Q

T

A

V

I

A

S

E

D

Q

Y

I

L

I

G

D

A

N

N

G

G

G

-

S

-

A

-

E

K

A

G

M

L

A

M

C

L

H
x
N

V
|
V

G

T

D

D

L

P

E

A

A

S

I

I

Q

E

A

S

T

V

F

L

E

E

Q

K

I

I

Q

R

A

A

K

E

H

F

G

G

R

E

L

V

D

D

I

I

L

L

V

V

N

N

N
|
N

A
|
A

A
x
G

T
x
I

-

T

-

R

N

D

P

N

Y

L

F

L

G

M

H

R

I

M

L

K

D

D

T

E

D
x
E

L

-

N

-

A

-

F

W

N

N

K

D

T

I

M

I

E

E

V

T

N

N

L

L

R

S

G

S

Y

V

F

F

F

R

M

L

S

S

V

K

T

A

A

V

G

M

R

R

M

A

M

M

R

M

E

K

Q

K

G

R

H

H

G

G

V

R

I

I

L

I

N

T

T

I

A

G

S
|
S

V

V

N

V

A

G

L

T

Q

M

P

G

G

N

E

G

M

G

Q
|
Q

G

A

I

N

Y
|
Y

S

A

I

A

S

A

K
|
K

A

A

A

G

V

L

V

I

S

G

M

F

T

S

K

K

A

S

F

L

A

A

K

R

E

E

C

V

A

A

P

S

L

R

G

G

I

I

R

T

C

V

N

N

A

V

L

V

L

A

P
|
P

G
|
G

F

F

T
x
I

K

E

T

T

Q

D

F

M

A

T

G

R

A

A

L

L

F

S

N

D

D

Q

K

R

I

-

Y

-

Q

A

Q

G

L

I

I

L

A

A

R

Q

I

V

P

P

M

A

G

G

R

R

H

L

A

G

V

G

P

A

S

Q

E

E

M

I

A

A

G

N

A

A

V

V

L

A

Y

F

L

L

V

A

S

S

D

D

A

E

S

A

Y

Y

T

I

T

T

G

G

E
|
E

T
|
T

L

L

V

H

V

V

D

N

G

G

L

M

T

Y

L

M

active site: G15 (= G22), E101 (≠ D109), S137 (= S148), Q147 (= Q158), Y150 (= Y161), K154 (= K165)
binding calcium ion: E232 (= E245), T233 (= T246)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G11 (= G18), S13 (= S20), R14 (= R21), T36 (≠ R43), N58 (≠ H68), V59 (= V69), N85 (= N95), A86 (= A96), G87 (≠ A97), I88 (≠ T98), S137 (= S148), Y150 (= Y161), K154 (= K165), P180 (= P191), G181 (= G192), I183 (≠ T194)

1q7cA The structure of betaketoacyl-[acp] reductase y151f mutant in complex with NADPH fragment (see paper)
37% identity, 97% coverage: 8:255/255 of query aligns to 1:242/243 of 1q7cA

query
sites
1q7cA

D

N

L

F

S

E

G

G

R

K

I

I

A

A

L

L

V

V

T

T

G
|
G

A

A

S
|
S

R
|
R

G
|
G

I

I

G

G

A

R

A

A

I

I

A

A

E

E

L

T

L

L

A

A

Y

R

G

G

A

A

H

K

V

V

I

I

V

G

A

T

S
x
A

R
x
T

K

S

A

E

E

N

G

G

C

A

Q

Q

T

A

V

I

A

S

E

D

Q

Y

I

L

I

G

D

A

N

N

G

G

G

-

S

-

A

-

E

K

A

G

M

L

A

M

C
x
L

H
x
N

V
|
V

G

T

D

D

L

P

E

A

A

S

I

I

Q

E

A

S

T

V

F

L

E

E

Q

K

I

I

Q

R

A

A

K

E

H

F

G

G

R

E

L

V

D

D

I

I

L

L

V

V

N

N

A

A

A
x
G

T
x
I

-

T

-

R

N

D

P

N

Y

L

F

L

G

M

H

R

I

M

L

K

D

D

T

E

D

E

L

-

N

-

A

-

F

W

N

N

K

D

T

I

M

I

E

E

V

T

N

N

L

L

R

S

G

S

Y

V

F

F

F

R

M

L

S

S

V

K

T

A

A

V

G

M

R

R

M

A

M

M

R

M

E

K

Q

K

G

R

H

H

G

G

V

R

I

I

L

I

N

T

T

I

A

G

S
|
S

V

V

N

V

A

G

L

T

Q

M

P

G

G

N

E

G

M

G

Q
|
Q

G

A

I

N

Y
x
F

S

A

I

A

S

A

K
|
K

A

A

A

G

V

L

V

I

S

G

M

F

T

S

K

K

A

S

F

L

A

A

K

R

E

E

C

V

A

A

P

S

L

R

G

G

I

I

R

T

C

V

N

N

A

V

L

V

L

A

P

P

G

G

F

F

T

I

K

E

T

T

Q

D

F

M

A

T

G

R

A

A

L

L

F

S

N

D

D

Q

K

R

I

-

Y

-

Q

A

Q

G

L

I

I

L

A

A

R

Q

I

V

P

P

M

A

G

G

R

R

H

L

A

G

V

G

P

A

S

Q

E

E

M

I

A

A

G

N

A

A

V

V

L

A

Y

F

L

L

V

A

S

S

D

D

A

E

S

A

Y

Y

T

I

T

T

G

G

E

E

T

T

L

L

V

H

V

V

D

N

G

G

L

M

T

Y

L

M

active site: G15 (= G22), S137 (= S148), Q147 (= Q158), F150 (≠ Y161), K154 (= K165)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G11 (= G18), S13 (= S20), R14 (= R21), A35 (≠ S42), T36 (≠ R43), L57 (≠ C67), N58 (≠ H68), V59 (= V69), G87 (≠ A97), I88 (≠ T98)

7do6A Crystal structure of azotobacter vinelandii l-rhamnose 1- dehydrogenase(NADP bound-form) (see paper)
36% identity, 95% coverage: 12:253/255 of query aligns to 6:242/247 of 7do6A

query
sites
7do6A

R

K

I

T

A

V

L

I

V

V

T

T

G
|
G

A

A

S
|
S

R
|
R

G
|
G

I
|
I

G

G

A

R

A

A

I

A

A

A

E

R

L

E

L

C

A

A

A

R

Y

Q

G

G

A

A

H

R

V

V

I

V

V

I

A

G

S
x
H

R
x
S

K

G

A

S

E

D

-

E

-
x
G

-

R

-

A

G

G

C

A

Q

L

T

S

V

L

A

A

E

E

Q

E

I

I

I

A

D

A

N

F

G

G

S

T

A

A

E

I

A

A

M

V

A

G

C

A

H
x
D

V
x
A

G

A

D

D

L

L

E

D

A

S

I

G

Q

E

A

K

T

L

F

V

E

A

Q

A

I

A

Q

V

A

E

K

A

H

F

G

G

R

S

L

V

D

D

I

V

L

L

V

V

N

N

N
|
N

A
|
A

A
x
G

T
x
I

N

C

P

P

Y

-

F

F

G

H

H

S

I

F

L

L

D

D

T

M

D

P

L

R

N

E

A

L

F

Y

N

L

K

K

T

T

M

V

E

G

V
x
T

N

N

L

L

R

N

G

G

Y

A

F

Y

F

F

M

T

S

V

V

Q

T

A

A

A

G

A

R

R

M

R

M

M

R

K

E

E

Q

Q

G

G

H

R

G

G

-

G

V

A

I

I

L

I

N

A

T

V

A

S

S
|
S

V

I

N

S

A

A

L

L

Q

V

P

G

G

G

E

A

M

M

Q

Q

G

T

I

H

Y
|
Y

S

T

I

P

S

T

K
|
K

A

A

A

G

V

L

S

S

M

L

T

M

K

Q

A

S

F

C

A

A

K

I

E

A

C

L

A

G

P

P

L

Y

G

G

I

I

R

R

C

C

N

N

A

A

L

V

L

L

P

P

G

G

F

-

T

-

K

-

T

-

Q

-

F

-

A

-

G

-

A

-

L

T

F
x
I

N

A

N

D

D

L

K

E

I

K

Y

R

Q

E

Q

R

L

M

I

T

A

S

R

R

I

V

P

P

M

L

G

G

R

R

H

L

A

G

V

E

P

P

S

D

E

D

M

L

A

A

G

G

A

P

V

I

L

V

Y

F

L

L

V

A

S

S

D

D

A

M

S

A

S

R

Y

Y

T

V

T

T

G

G

E

A

T

S

L

L

V

L

V

V

D

D

G

G

L

L

active site: G16 (= G22), S146 (= S148), Y159 (= Y161)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G18), S14 (= S20), R15 (= R21), G16 (= G22), I17 (= I23), H36 (≠ S42), S37 (≠ R43), G42 (vs. gap), D66 (≠ H68), A67 (≠ V69), N93 (= N95), A94 (= A96), G95 (≠ A97), I96 (≠ T98), T116 (≠ V119), S146 (= S148), Y159 (= Y161), K163 (= K165), I192 (≠ F203)

7tzpG Crystal structure of putataive short-chain dehydrogenase/reductase (fabg) from klebsiella pneumoniae subsp. Pneumoniae ntuh-k2044 in complex with nadh (see paper)
37% identity, 97% coverage: 9:255/255 of query aligns to 6:247/247 of 7tzpG

query
sites
7tzpG

L

L

S

A

G

S

R

K

I

T

A

A

L

I

V

V

T

T

G
|
G

A

A

S

A

R
|
R

G
|
G

I
|
I

G

G

A

F

A

G

I

I

A

A

E

Q

L

V

L

L

A

A

A

R

Y

E

G

G

A

A

H

R

V

V

I

I

V

I

A

A

S
x
D

R
|
R

K

D

A

A

E

H

G

G

C

-

Q

E

T

A

V

A

A

A

E

A

Q

S

I

L

I

R

D

E

N

S

G

G

G

A

S

Q

A

A

E

L

A

F

M

I

A

S

C
|
C

H

N

V
x
I

G

A

D

E

L

K

E

T

A

Q

I

V

Q

E

A

A

T

L

F

F

E

S

Q

Q

I

A

Q

E

A

E

K

A

H

F

G

G

R

P

L

V

D

D

I

I

L

L

V

V

N

N

N
|
N

A

A

A
x
G

T
x
I

N

N

-

R

-

D

P

A

Y

M

F

L

G

H

H

K

I

L

L

T

D

E

T

A

D

D

L

-

N

-

A

-

F

W

N

D

K

T

T

V

M

I

E

D

V
|
V

N

N

L

L

R

K

G

G

Y

T

F

F

F

L

M

C

S

M

V

Q

T

Q

A

A

G

A

R

I

M

R

M

M

R

R

E

E

Q

R

G

G

H

A

G

G

V

R

I

I

L

I

N

N

T

I

A

A

S

S

V

A

N

S

A

W

L

L

Q

-

P

-

G

G

E

N

M

V

-

G

Q

Q

G

T

I

N

Y
|
Y

S

S

I

A

S

S

K
|
K

A

A

A

G

V

V

S

G

M

M

T

T

K

K

A

T

F

A

A

C

K

R

E

E

C

L

A

A

P

K

L

K

G

G

I

V

R

T

C

V

N

N

A

A

L

I

L

C

P

P

G

G

F

F

T
x
I

K

D

T
|
T

Q

D

F

M

A
x
T

G

R

A

G

L

V

F

P

N

E

N

N

D

-

K

-

I

V

Y

W

Q

Q

Q

I

L

M

I

V

A

S

R

K

I

I

P

P

M

A

G

G

R

Y

H

A

A

G

V

E

P

A

S

K

E

D

M

V

A

G

G

E

A

C

V

V

L

A

Y

F

L

L

V

A

S

S

D

D

A

G

S

A

S

R

Y

Y

T

I

T

N

G

G

E

E

T

V

L

I

V

N

V

V

D

G

G

G

L

M

T

V

L

L

binding 1,4-dihydronicotinamide adenine dinucleotide: G15 (= G18), R18 (= R21), G19 (= G22), I20 (= I23), D39 (≠ S42), R40 (= R43), C63 (= C67), I65 (≠ V69), N91 (= N95), G93 (≠ A97), I94 (≠ T98), V114 (= V119), Y155 (= Y161), K159 (= K165), I188 (≠ T194), T190 (= T196), T193 (≠ A199)

5u9pB Crystal structure of a gluconate 5-dehydrogenase from burkholderia cenocepacia j2315 in complex with NADP and tartrate
36% identity, 97% coverage: 7:254/255 of query aligns to 12:258/261 of 5u9pB

query
sites
5u9pB

F

F

D

R

L

L

S

D

G

G

R

R

I

R

A

A

L

L

V

I

T

T

G
|
G

A

S

S

G

R
|
R

G
|
G

I
|
I

G

G

A

L

A

T

I

L

A

A

E

R

L

G

L

L

A

A

A

E

Y

A

G

G

A

A

H

A

V

I

I

V

V

I

A

N

S

D

R
|
R

K

N

A

E

E

E

G

K

C

A

Q

A

T

T

V

L

A

A

E

R

Q

R

I

F

I

R

D

D

N

E

G

G

G

F

S

A

A

A

E

D

A

H

M

A

A

V

C

F

H
x
D

V
|
V

G

A

D

E

L

H

E

A

A

Q

I

V

Q

R

A

A

T

A

F

I

E

D

Q

E

I

F

Q

E

A

A

K

R

H

V

G

G

R

A

L

I

D

D

I

I

L

L

V

V

N

N

N
|
N

A
|
A

A

G

T

I

N

Q

P

R

Y

R

F

A

G

P

H

-

I

-

L

L

D

D

T

A

-

F

D

E

L

P

N

D

A

D

F

W

N

H

K

A

T

L

M

M

E

R

V

V

N

N

L

L

R

D

G

G

Y

V

F

F

F

N

M

V

S

A

V

Q

T

A

A

V

G

A

R

R

M

H

M

M

R

I

E

A

Q

R

G

G

H

H

G

G

V

K

I

I

L

I

N

N

T
x
I

A

C

S
|
S

V

V

N

Q

A

S

L

E

Q

L

P

A

G

R

E

P

M

T

Q

I

G

A

I

P

Y
|
Y

S

A

I

A

S

T

K
|
K

A

G

A

A

V

V

V

R

S

M

M

L

T

T

K

K

A

G

F

M

A

C

K

A

E

D

C

W

A

A

P

R

L

Y

G

G

I

I

R

Q

C

A

N

N

A

G

L

L

L

A

P
|
P

G

G

F

Y

T
x
F

K

E

T
|
T

Q

E

F
x
L

A
x
N

G

R

A

A

L

L

F

V

N

D

D

A

K

A

I

F

Y

S

Q

D

Q

W

L

L

I

C

A

K

R

R

I

T

P

P

M

A

G

G

R

R

H

W

A

G

V

Q

P

V

S

D

E

E

M

L

A

C

G

G

A

A

V

A

L

I

Y

F

L

L

V

A

S

S

D

A

A

A

S

S

S

D

Y

F

T

V

T

N

G

G

E

Q

T

T

L

L

V

F

V

V

D

D

G

G

L

L

T

T

active site: G27 (= G22), S152 (= S148), Y165 (= Y161), K169 (= K165)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G23 (= G18), R26 (= R21), G27 (= G22), I28 (= I23), R48 (= R43), D73 (≠ H68), V74 (= V69), N100 (= N95), A101 (= A96), I150 (≠ T146), Y165 (= Y161), K169 (= K165), P195 (= P191), F198 (≠ T194), T200 (= T196), L202 (≠ F198), N203 (≠ A199)

3tzcA Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase (fabg)(y155f) from vibrio cholerae (see paper)
38% identity, 97% coverage: 6:253/255 of query aligns to 3:223/224 of 3tzcA

query
sites
3tzcA

L

F

F

M

D

N

L

L

S

E

G

G

R

K

I

V

A

A

L

L

V

V

T

T

G
|
G

A

A

S
|
S

R
|
R

G

G

I

I

G

G

A

K

A

A

I

I

A

A

E

E

L

L

A

A

A

E

Y

R

G

G

A

A

H

K

V

V

I

I

V

G

A

T

S
x
A

R
x
T

K

S

A

E

E

S

G

G

C

A

Q

Q

T

A

V

I

A

S

E

D

Q

Y

I

L

I

G

D

D

N

N

G

G

G

-

S

-

A

-

E

K

A

G

M

M

A

A

C

L

H
x
N

V
|
V

G

T

D

N

L

P

E

E

A

S

I

I

Q

E

A

A

T

V

F

L

E

K

Q

A

I

I

Q

T

A

D

K

E

H

F

G

G

R

G

L

V

D

D

I

I

L

L

V

V

N

N

A

A

A
x
G

T
x
I

N

T

P

R

Y

-

F

-

G

-

H

-

I

-

L

M

D

R

T

M

D

K

L

E

N

E

A

E

F

W

N

S

K

D

T

I

M

M

E

E

V
x
T

N

N

L

L

R

T

G

S

Y

I

F

F

F

R

M

L

S

S

V

K

T

A

A

V

G

L

R

R

M

G

M

M

R

M

E

K

Q

K

G

R

H

Q

G

G

V

R

I

I

L

I

N

N

T

V

A

G

S

S

V

V

N

V

A

A

L

-

Q

-

P

-

G

-

E

-

M

-

Q

-

G

-

I

-

Y

-

S

-

I

-

S

A

K

K

A

A

A

G

V

V

V

I

S

G

M

F

T

T

K

K

A

S

F

M

A

A

K

R

E

E

C

V

A

A

P

S

L

R

G

G

I

V

R

T

C

V

N

N

A

T

L

V

L

A

P

P

G

G

F

F

T

I

K

E

T

T

Q

D

F

M

A

-

G

-

A

-

L

-

F

-

N

-

D

D

K

E

I

Q

Y

R

Q

T

Q

A

L

T

I

L

A

A

R

Q

I

V

P

P

M

A

G

G

R

R

H

L

A

G

V

D

P

P

S

R

E

E

M

I

A

A

G

S

A

A

V

V

L

A

Y

F

L

L

V

A

S

S

D

P

A

E

S

A

Y

Y

T

I

T

T

G

G

E

E

T

T

L

L

V

H

V

V

D

N

G

G

L

M

binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G18), S17 (= S20), R18 (= R21), A39 (≠ S42), T40 (≠ R43), N62 (≠ H68), V63 (= V69), G91 (≠ A97), I92 (≠ T98), T108 (≠ V119)

P0A2C9 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 Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720) (see paper)
36% identity, 98% coverage: 7:255/255 of query aligns to 1:243/244 of P0A2C9

query
sites
P0A2C9

F

M

D

S

L

F

S

E

G

G

R

K

I

I

A

A

L

L

V

V

T

T

G

G

A

A

S

S

R

R

G

G

I

I

G

G

A

R

A

A

I

I

A

A

E

E

L

T

L

L

A

V

A

A

Y

R

G

G

A

A

H

K

V

V

I

I

V

G

A

T

S

A

R

T

K

S

A

E

E

N

G

G

C

A

Q

K

T

N

V

I

A

S

E

D

Q

Y

I

L

I

G

D

A

N

N

G

G

G

-

S

-

A

-

E

K

A

G

M

L

A

M

C

L

H

N

V

V

G

T

D

D

L

P

E

A

A

S

I

I

Q

E

A

S

T

V

F

L

E

E

Q

N

I

I

Q

R

A

A

K

E

H

F

G

G

R

E

L

V

D

D

I

I

L

L

V

V

N

N

A

A

A

G

T

I

N

T

P

R

Y

D

F

-

G

N

H

L

I

L

L

M

D

R

T

M

D

K

L

D

N

D

A

E

F

W

N

N

K

D

T

I

M

I

E

E

V

T

N

N

L

L

R

S

G

S

Y

V

F

F

F

R

M

L

S

S

V

K

T

A

A

V

G

M

R

R

M

A

M
|
M

R

M

E

K

Q

K

G

R

H

C

G

G

V

R

I

I

L

I

N

T

T

I

A

G

S

S

V

V

N

V

A

G

L

T

Q

M

P

G

G

N

E

A

M

G

Q

Q

G

A

I

N

Y

Y

S

A

I

A

S

A

K

K

A

A

A

G

V

L

V

I

S

G

M

F

T

S

K

K

A

S

F

L

A

A

K

R

E

E

C

V

A

A

P

S

L

R

G

G

I

I

R

T

C

V

N

N

A

V

L

V

L

A

P

P

G

G

F

F

T

I

K

E

T

T

Q

D

F

M

A

T

G

R

A

A

L

L

F

S

N

D

D

Q

K

R

I

-

Y

-

Q

A

Q

G

L

I

I

L

A

A

R

Q

I

V

P

P

M

A

G

G

R

R

H

L

A

G

V

G

P

A

S

Q

E

E

M

I

A

A

G

S

A

A

V

V

L

A

Y

F

L

L

V
x
A

S
|
S

D

D

A

E

S

A

S

S

Y

Y

T

I

T

T

G

G

E

E

T

T

L

L

V

H

V

V

D

N

G

G

L

M

T

Y

L

M

M125 (= M135) mutation to I: Loss of the temperature-sensitive phenotype; when associated with T-223.
A223 (≠ V235) mutation to T: Loss of the temperature-sensitive phenotype; when associated with I-125.
S224 (= S236) mutation to F: Distorts the local conformation and prevent stacking around Phe-221. The S224F mutation would additionally disrupt the hydrogen bond formed between Ser-224 and Glu-226.

Query Sequence

>5210421 Shew_2862 short chain dehydrogenase (RefSeq)
MDNKSLFDLSGRIALVTGASRGIGAAIAELLAAYGAHVIVASRKAEGCQTVAEQIIDNGG
SAEAMACHVGDLEAIQATFEQIQAKHGRLDILVNNAATNPYFGHILDTDLNAFNKTMEVN
LRGYFFMSVTAGRMMREQGHGVILNTASVNALQPGEMQGIYSISKAAVVSMTKAFAKECA
PLGIRCNALLPGFTKTQFAGALFNNDKIYQQLIARIPMGRHAVPSEMAGAVLYLVSDASS
YTTGETLVVDGGLTL

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