SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing PP_3926 PP_3926 short-chain dehydrogenase 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)

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)
37% identity, 96% coverage: 9:252/255 of query aligns to 30:273/278 of Q9BTZ2

query
sites
Q9BTZ2

L

L

D

A

G

N

K

K

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A

A

F

L

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V

S

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A

A

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G

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F

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A

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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 (≠ V174) 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)
37% identity, 96% coverage: 9:252/255 of query aligns to 6:249/254 of 3o4rA

query
sites
3o4rA

L

L

D

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N

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F

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x
A

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I

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A

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K

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G

active site: G19 (= G22), S145 (= S148), F155 (≠ Q158), Y158 (= Y161), K162 (= K165), K203 (≠ E206)
binding nadp nicotinamide-adenine-dinucleotide phosphate: A15 (≠ G18), T17 (≠ S20), D18 (≠ R21), G19 (= G22), I20 (= I23), S39 (= S42), R40 (= R43), K41 (= K44), N44 (≠ G47), C64 (= C67), H65 (= H68), V66 (≠ I69), N92 (= N95), A93 (= A96), A94 (= A97), V143 (= V146), S144 (≠ A147), S145 (= S148), Y158 (= Y161), K162 (= K165), P188 (= P191), G189 (= G192), L190 (= L193), I191 (≠ T194), T193 (= T196), S194 (≠ K197), F195 (= F198), S196 (≠ A199)

2zatA Crystal structure of a mammalian reductase (see paper)
37% identity, 97% coverage: 9:255/255 of query aligns to 3:249/251 of 2zatA

query
sites
2zatA

L

L

D

E

G

N

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K

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A

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L

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K

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V

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S

active site: G16 (= G22), S142 (= S148), L152 (≠ Q158), Y155 (= Y161), K159 (= K165), K200 (≠ E206)
binding nadp nicotinamide-adenine-dinucleotide phosphate: A12 (≠ G18), S13 (≠ A19), T14 (≠ S20), D15 (≠ R21), G16 (= G22), I17 (= I23), S36 (= S42), R37 (= R43), K38 (= K44), N41 (≠ G47), C61 (= C67), H62 (= H68), V63 (≠ I69), N89 (= N95), A90 (= A96), A91 (= A97), V140 (= V146), S141 (≠ A147), S142 (= S148), Y155 (= Y161), K159 (= K165), P185 (= P191), G186 (= G192), L187 (= L193), I188 (≠ T194), T190 (= T196), N191 (≠ K197), 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)
37% identity, 97% coverage: 9:255/255 of query aligns to 31:277/279 of Q8WNV7

query
sites
Q8WNV7

L

L

D

E

G

N

K

K

I

V

A

A

F
x
L

V
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V

S
x
T

G
x
A

A
x
S

S
x
T

R
x
D

G
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G

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I

G
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G

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x
L

A
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A

I
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I

A
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A

H
x
R

L
x
R

L
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L

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A

Q
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Q

Q
x
D

G
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G

A
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A

H
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H

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V

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x
V

V

V

S

S

R

R

K

K

L

Q

D

E

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C

V

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D

Q

R

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T

A

V

D

A

A

T

I

L

I

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A

G

A

E

G

G

G

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K

S

A

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T

T

A

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A

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C

H

H

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G

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G

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D

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L

L

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V

N

S

N

N

A

A

T

V

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N

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P

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F

F

F

C

G

N

N

V

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L

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D

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D

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G

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N

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L

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M

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E

K

N

R

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G

S

S

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I

L

N

I

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V

A

S

S

S

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G

A

V

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S

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P

G
x
F

L

P

F

N

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x
L

G

G

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Y
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Y

S

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V

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T

S

K
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K

A

T

A

A

V

L

I

L

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L

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K

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x
N

F

L

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A

K

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E

E

C

L

A

A

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P

F

R

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I

I

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N

A

C

L

L

L

A

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P

G

G

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L

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F

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A

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A

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F

L

L

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E

A

D

S

A

S

S

Y

Y

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I

T

T

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G

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L

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V

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D

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G

G

F

T

L

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S
|
S

37:61 (vs. 15:39, 56% 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 (≠ V174) 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

1vl8B Crystal structure of gluconate 5-dehydrogenase (tm0441) from thermotoga maritima at 2.07 a resolution
35% identity, 97% coverage: 6:253/255 of query aligns to 1:249/252 of 1vl8B

query
sites
1vl8B

L

V

F

F

D

D

L

L

D

R

G

G

K

R

I

V

A

A

F

L

V

V

S

T

G
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G

A

G

S
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S

R
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R

G
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G

I
x
L

G

G

E

F

A

G

I

I

A

A

H

Q

L

G

L

L

A

A

Q

E

Q

A

G

G

A

C

H

S

V

V

I

V

V

V

S

A

S
|
S

R
|
R

K
x
N

L

L

D

E

G

E

C

A

Q

S

Q

E

V

A

A

A

D

Q

A

K

I

L

I

T

A

E

A

K

G

Y

G

G

K

V

A

E

T

T

-

M

A

A

V

F

A

R

C
|
C

H
x
D

I
x
V

G

S

E

N

L

Y

E

E

Q

E

I

V

Q

K

V

L

F

L

A

E

G

A

I

V

R

K

E

E

Q

K

F

F

G

G

R

K

L

L

D

D

V

T

L

V

V

V

N

N

N
x
A

A
|
A

A
x
G

T
x
I

N

N

-

R

-

H

P

P

Q

A

F

E

C

E

N

F

V

P

L

L

D

D

T

E

D

-

P

-

G

-

A

-

F

F

Q

R

K

Q

T

V

V

I

D

E

V
|
V

N

N

I

L

R

F

G

G

Y

T

F

Y

M

V

S

C

V

R

E

E

A

A

G

F

K

S

L

L

M

L

R

R

E

E

N

S

G

D

G

N

G

P

S

S

I

I

N

N

V
x
I

A
x
G

S
|
S

I

L

N

T

G

-

V

V

S

E

P

E

G

V

L

T

F

M

Q

P

G

N

I
|
I

-

S

-

A

Y
|
Y

S

A

V

A

T

S

K
|
K

A

G

V

V

I

A

N

S

M

L

T

T

K

K

V

A

F

L

A

A

K

K

E

E

C

W

A

G

P

R

F

Y

G

G

I

I

R

R

C

V

N

N

A

V

L

I

L

A

P
|
P

G
|
G

L
x
W

T
x
Y

D

R

T
|
T

K
|
K

F
x
M

A
x
T

S

E

A

A

L

V

V

F

K

S

N

D

E

P

A

E

I

K

L

L

N

D

A

Y

A

M

L

L

Q

K

Q

R

I

I

P

P

L

L

K

G

R

R

V

T

A

G

D

V

P

P

K

E

E

D

M

L

A

K

G

G

A

V

V

A

L

V

Y

F

L

L

A

A

S

S

D

E

A

E

S

A

S

K

Y

Y

T

V

T

T

G

G

T

Q

T

I

L

I

N

F

V

V

D

D

G

G

F

W

active site: G17 (= G22), S143 (= S148), I154 (= I160), Y157 (= Y161), K161 (= K165)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G18), S15 (= S20), R16 (= R21), G17 (= G22), L18 (≠ I23), S37 (= S42), R38 (= R43), N39 (≠ K44), C63 (= C67), D64 (≠ H68), V65 (≠ I69), A91 (≠ N95), A92 (= A96), G93 (≠ A97), I94 (≠ T98), V114 (= V119), I141 (≠ V146), G142 (≠ A147), S143 (= S148), Y157 (= Y161), K161 (= K165), P187 (= P191), G188 (= G192), W189 (≠ L193), Y190 (≠ T194), T192 (= T196), K193 (= K197), M194 (≠ F198), T195 (≠ A199)

7do7A Crystal structure of azotobacter vinelandii l-rhamnose 1- dehydrogenase(NAD and l-rhamnose bound-form) (see paper)
39% identity, 95% coverage: 12:254/255 of query aligns to 6:252/256 of 7do7A

query
sites
7do7A

K

K

I

T

A

V

F

I

V

V

S

T

G
|
G

A

A

S
|
S

R
|
R

G
|
G

I
|
I

G

G

E

R

A

A

I

A

A

A

H

R

L
x
E

L

C

A

A

Q

R

Q

Q

G

G

A

A

H

R

V

V

I

V

V

I

S

G

S
x
H

R
x
S

K

G

L

S

D

D

-

E

-

G

-

R

-

A

G

G

C

A

Q

L

Q

S

V

L

A

A

D

E

A

E

I

I

I

A

A

A

A

F

G

G

K

T

A

A

T

I

A

A

V

V

A

G

C
x
A

H
x
D

I
x
A

G

A

E

D

L

L

E

D

Q

S

I

G

Q

E

Q

K

V

L

F

V

A

A

G

A

I

A

R

V

E

E

Q

A

F

F

G

G

R

S

L

V

D

D

V

V

L

L

V

V

N

N

N
|
N

A
|
A

A
x
G

T
x
I

N
x
C

P

P

Q

-

F
|
F

C

H

N

S

V

F

L

L

D

D

T

M

D

P

P

R

G

E

A

L

F

Y

Q

L

K

K

T

T

V

V

D

G

V
x
T

N

N

I

L

R

N

G

G

Y

A

F

Y

F

F

M

T

S

V

V

Q

E

A

A

A

G

A

K

R

L

R

M

M

R

K

E

E

N

Q

G

G

-

R

G

G

S

A

I

I

N

A

V
|
V

A
x
S

S
|
S

I

I

N
x
S

G

A

V

L

S

V

P

G

G

G

L

A

F

M

Q
|
Q

G

T

I

H

Y
|
Y

S

T

V

P

T

T

K
|
K

A

A

A

G

V

L

I

L

N

S

M

L

T

M

K

Q

V

S

F

C

A

A

K

I

E

A

C

L

A

G

P

P

F

Y

G

G

I

I

R

R

C

C

N

N

A

A

L

V

L

L

P
|
P

G
|
G

L
x
T

T
x
I

D

A

T
|
T

K
x
D

F
x
I

-
x
N

-

K

-

E

-

D

A

L

S

S

A

D

L

L

V

E

K

K

N

R

E

E

A

R

I

M

L

T

N

S

A

-

L

-

Q

-

Q

R

I

V

P

P

L

L

K

G

R

R

V

L

A

G

D

E

P

P

K
x
D

E

D

M

L

A
|
A

G
|
G

A

P

V

I

L

V

Y

F

L

L

A

A

S

S

D
|
D

A
x
M

S

A

S
x
R

Y

Y

T

V

T

T

G

G

T

A

T

S

L

L

N

L

V

V

D

D

G

G

F

L

L

F

active site: G16 (= G22), S146 (= S148), Y159 (= Y161)
binding nicotinamide-adenine-dinucleotide: G12 (= G18), S14 (= S20), R15 (= R21), G16 (= G22), I17 (= I23), H36 (≠ S42), S37 (≠ R43), A65 (≠ C67), D66 (≠ H68), A67 (≠ I69), N93 (= N95), A94 (= A96), G95 (≠ A97), I96 (≠ T98), T116 (≠ V119), V144 (= V146), S145 (≠ A147), S146 (= S148), Y159 (= Y161), K163 (= K165), P189 (= P191), G190 (= G192), T191 (≠ L193), I192 (≠ T194), T194 (= T196), D195 (≠ K197), I196 (≠ F198), N197 (vs. gap)
binding beta-L-rhamnopyranose: E24 (≠ L30), C97 (≠ N99), F99 (= F102), S146 (= S148), S148 (≠ N150), Q156 (= Q158), Y159 (= Y161), G190 (= G192), T191 (≠ L193), I196 (≠ F198), N197 (vs. gap), D223 (≠ K225), A226 (= A228), G227 (= G229), D235 (= D237), M236 (≠ A238), R238 (≠ S240)

7b81A Crystal structure of azotobacter vinelandii l-rhamnose 1-dehydrogenase (NAD bound-form) (see paper)
39% identity, 95% coverage: 12:254/255 of query aligns to 6:252/256 of 7b81A

query
sites
7b81A

K

K

I

T

A

V

F

I

V

V

S

T

G
|
G

A

A

S
|
S

R
|
R

G
|
G

I
|
I

G

G

E

R

A

A

I

A

A

A

H

R

L

E

L

C

A

A

Q

R

Q

Q

G

G

A

A

H

R

V

V

I

V

V

I

S

G

S
x
H

R
x
S

K

G

L

S

D

D

-

E

-

G

-

R

-

A

G

G

C

A

Q

L

Q

S

V

L

A

A

D

E

A

E

I

I

I

A

A

A

A

F

G

G

K

T

A

A

T

I

A

A

V

V

A

G

C
x
A

H
x
D

I
x
A

G

A

E

D

L

L

E

D

Q

S

I

G

Q

E

Q

K

V

L

F

V

A

A

G

A

I

A

R

V

E

E

Q

A

F

F

G

G

R

S

L

V

D

D

V

V

L

L

V

V

N

N

N
|
N

A
|
A

A
x
G

T
x
I

N

C

P

P

Q

-

F

F

C

H

N

S

V

F

L

L

D

D

T

M

D

P

P

R

G

E

A

L

F

Y

Q

L

K

K

T

T

V

V

D

G

V
x
T

N

N

I

L

R

N

G

G

Y

A

F

Y

F

F

M

T

S

V

V

Q

E

A

A

A

G

A

K

R

L

R

M

M

R

K

E

E

N

Q

G

G

-

R

G

G

S

A

I

I

N

A

V
|
V

A
x
S

S
|
S

I

I

N

S

G

A

V

L

S

V

P

G

G

G

L

A

F

M

Q

Q

G

T

I

H

Y
|
Y

S

T

V

P

T

T

K
|
K

A

A

A

G

V

L

I

L

N

S

M

L

T

M

K

Q

V

S

F

C

A

A

K

I

E

A

C

L

A

G

P

P

F

Y

G

G

I

I

R

R

C

C

N

N

A

A

L

V

L

L

P
|
P

G
|
G

L
x
T

T
x
I

D

A

T
|
T

K
x
D

F
x
I

-
x
N

-

K

-

E

-

D

A

L

S

S

A

D

L

L

V

E

K

K

N

R

E

E

A

R

I

M

L

T

N

S

A

-

L

-

Q

-

Q

R

I

V

P

P

L

L

K

G

R

R

V

L

A

G

D

E

P

P

K

D

E

D

M

L

A

A

G

G

A

P

V

I

L

V

Y

F

L

L

A

A

S

S

D

D

A

M

S

A

S

R

Y

Y

T

V

T

T

G

G

T

A

T

S

L

L

N

L

V

V

D

D

G

G

F

L

L

F

active site: G16 (= G22), S146 (= S148), Y159 (= Y161)
binding nicotinamide-adenine-dinucleotide: G12 (= G18), S14 (= S20), R15 (= R21), I17 (= I23), H36 (≠ S42), S37 (≠ R43), A65 (≠ C67), D66 (≠ H68), A67 (≠ I69), N93 (= N95), A94 (= A96), G95 (≠ A97), I96 (≠ T98), T116 (≠ V119), V144 (= V146), S145 (≠ A147), S146 (= S148), Y159 (= Y161), K163 (= K165), P189 (= P191), G190 (= G192), T191 (≠ L193), I192 (≠ T194), T194 (= T196), D195 (≠ K197), I196 (≠ F198), N197 (vs. gap)

7do6A Crystal structure of azotobacter vinelandii l-rhamnose 1- dehydrogenase(NADP bound-form) (see paper)
39% identity, 95% coverage: 12:254/255 of query aligns to 6:243/247 of 7do6A

query
sites
7do6A

K

K

I

T

A

V

F

I

V

V

S

T

G
|
G

A

A

S
|
S

R
|
R

G
|
G

I
|
I

G

G

E

R

A

A

I

A

A

A

H

R

L

E

L

C

A

A

Q

R

Q

Q

G

G

A

A

H

R

V

V

I

V

V

I

S

G

S
x
H

R
x
S

K

G

L

S

D

D

-

E

-
x
G

-

R

-

A

G

G

C

A

Q

L

Q

S

V

L

A

A

D

E

A

E

I

I

I

A

A

A

A

F

G

G

K

T

A

A

T

I

A

A

V

V

A

G

C

A

H
x
D

I
x
A

G

A

E

D

L

L

E

D

Q

S

I

G

Q

E

Q

K

V

L

F

V

A

A

G

A

I

A

R

V

E

E

Q

A

F

F

G

G

R

S

L

V

D

D

V

V

L

L

V

V

N

N

N
|
N

A
|
A

A
x
G

T
x
I

N

C

P

P

Q

-

F

F

C

H

N

S

V

F

L

L

D

D

T

M

D

P

P

R

G

E

A

L

F

Y

Q

L

K

K

T

T

V

V

D

G

V
x
T

N

N

I

L

R

N

G

G

Y

A

F

Y

F

F

M

T

S

V

V

Q

E

A

A

A

G

A

K

R

L

R

M

M

R

K

E

E

N

Q

G

G

-

R

G

G

S

A

I

I

N

A

V
|
V

A
x
S

S
|
S

I

I

N

S

G

A

V

L

S

V

P

G

G

G

L

A

F

M

Q

Q

G

T

I

H

Y
|
Y

S

T

V

P

T

T

K
|
K

A

A

A

G

V

L

I

L

N

S

M

L

T

M

K

Q

V

S

F

C

A

A

K

I

E

A

C

L

A

G

P

P

F

Y

G

G

I

I

R

R

C

C

N

N

A

A

L

V

L

L

P

P

G
|
G

L
x
T

T
x
I

D

-

T

-

K

-

F

-

A

-

S

A

A

D

L

L

V

E

K

K

N

R

E

E

A

R

I

M

L

T

N

S

A

-

L

-

Q

-

Q

R

I

V

P

P

L

L

K

G

R

R

V

L

A

G

D

E

P

P

K

D

E

D

M

L

A

A

G

G

A

P

V

I

L

V

Y

F

L

L

A

A

S

S

D

D

A

M

S

A

S

R

Y

Y

T

V

T

T

G

G

T

A

T

S

L

L

N

L

V

V

D

D

G

G

F

L

L

F

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 (≠ I69), N93 (= N95), A94 (= A96), G95 (≠ A97), I96 (≠ T98), T116 (≠ V119), V144 (= V146), S145 (≠ A147), S146 (= S148), Y159 (= Y161), K163 (= K165), G190 (= G192), T191 (≠ L193), I192 (≠ T194)

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)
36% identity, 98% coverage: 4:253/255 of query aligns to 1:244/247 of 3op4A

query
sites
3op4A

T

S

H

Q

L

F

F

M

D

N

L

L

D

E

G

G

K

K

I

V

A

A

F

L

V

V

S

T

G
|
G

A

A

S
|
S

R
|
R

G
|
G

I
|
I

G

G

E

K

A

A

I

I

A

A

H

E

L

L

A

A

Q

E

Q

R

G

G

A

A

H

K

V

V

I

I

V

G

S

T

S
x
A

R
x
T

K

S

L

E

D

S

G

G

C

A

Q

Q

Q

A

V

I

A

S

D

D

A

Y

I

L

I

-

A

-

G

G

G

D

K

N

A

G

T

K

A

G

V

M

A

A

C
x
L

H
x
N

I
x
V

G

T

E

N

L

P

E

E

Q

S

I

I

Q

E

Q

A

V

V

F

L

A

K

G

A

I

I

R

T

E

D

Q

E

F

F

G

G

R

G

L

V

D

D

V

I

L

L

V

V

N

N

N
|
N

A
|
A

A
x
G

T
x
I

N

T

P

R

Q

D

F

N

C

L

N

-

V

L

L

M

D

R

T

M

D

K

P

E

G

E

A

E

F

W

Q

S

K

D

T

I

V

M

D

E

V
x
T

N

N

I

L

R

T

G

S

Y

I

F

F

F

R

M

L

S

S

V

K

E

A

A

V

G

L

K

R

L

G

M

M

R

M

E

K

N

K

G

R

G

Q

G

G

S

R

I

I

N

N

V
|
V

A
x
G

S
|
S

I

V

N

V

G

G

V

T

S

M

P

G

G

N

L

A

F

G

Q

Q

G

A

I

N

Y
|
Y

S

A

V

A

T

A

K
|
K

A

A

A

G

V

V

I

I

N

G

M

F

T

T

K

K

V

S

F

M

A

A

K

R

E

E

C

V

A

A

P

S

F

R

G

G

I

V

R

T

C

V

N

N

A

T

L

V

L

A

P
|
P

G
|
G

L
x
F

T
x
I

D

E

T
|
T

K
x
D

F
x
M

A

T

S

K

A

A

L

L

V

-

K

-

N

N

E

D

A

E

I

Q

L

R

N

T

A

A

A

T

L

L

Q

A

Q

Q

I

V

P

P

L

A

K

G

R

R

V

L

A

G

D

D

P

P

K

R

E

E

M

I

A

A

G

S

A

A

V

V

L

A

Y

F

L

L

A

A

S

S

D

P

A

E

S

A

Y

Y

T

I

T

T

G

G

T

E

T

T

L

L

N

H

V

V

D

N

G

G

F

M

binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G18), S17 (= S20), R18 (= R21), G19 (= G22), I20 (= I23), A39 (≠ S42), T40 (≠ R43), L61 (≠ C67), N62 (≠ H68), V63 (≠ I69), N89 (= N95), A90 (= A96), G91 (≠ A97), I92 (≠ T98), T112 (≠ V119), V139 (= V146), G140 (≠ A147), S141 (= S148), Y154 (= Y161), K158 (= K165), P184 (= P191), G185 (= G192), F186 (≠ L193), I187 (≠ T194), T189 (= T196), D190 (≠ K197), M191 (≠ F198)

4i08A Crystal structure of beta-ketoacyl-acyl carrier protein reductase (fabg) from vibrio cholerae in complex with NADPH (see paper)
36% identity, 98% coverage: 4:253/255 of query aligns to 1:240/243 of 4i08A

query
sites
4i08A

T

S

H

Q

L

F

F

M

D

N

L

L

D

E

G

G

K

K

I

V

A

A

F

L

V

V

S

T

G
|
G

A

A

S
|
S

R
|
R

G
|
G

I
|
I

G

G

E

K

A

A

I

I

A

A

H

E

L

L

A

A

Q

E

Q

R

G

G

A

A

H

K

V

V

I

I

V

G

S

T

S
x
A

R
x
T

K

S

L

E

D

S

G

G

C

A

Q

Q

Q

A

V

I

A

S

D

D

A

Y

I

L

I

-

A

-

G

G

G

D

K

N

A

G

T

K

A

G

V

M

A

A

C
x
L

H
x
N

I
x
V

G

T

E

N

L

P

E

E

Q

S

I

I

Q

E

Q

A

V

V

F

L

A

K

G

A

I

I

R

T

E

D

Q

E

F

F

G

G

R

G

L

V

D

D

V

I

L

L

V

V

N

N

N
|
N

A
|
A

A
x
G

T
x
I

N

T

P

R

Q

D

F

N

C

L

N

-

V

L

L

M

D

R

T

M

D

K

P

E

G

E

A

E

F

W

Q

S

K

D

T

I

V

M

D

E

V
x
T

N
|
N

I

L

R

T

G

S

Y

I

F

F

F

R

M

L

S

S

V

K

E

A

A

V

G

L

K

R

L

G

M

M

R

M

E

K

N

K

G

R

G

Q

G

G

S

R

I

I

N

N

V
|
V

A
x
G

S
|
S

I

V

N

V

G

G

V

T

S

M

P

G

G

N

L

A

F

G

Q
|
Q

G

A

I

N

Y
|
Y

S

A

V

A

T

A

K
|
K

A

A

A

G

V

V

I

I

N

G

M

F

T

T

K

K

V

S

F

M

A

A

K

R

E

E

C

V

A

A

P

S

F

R

G

G

I

V

R

T

C

V

N

N

A

T

L

V

L

A

P
|
P

G
|
G

L
x
F

T
x
I

D

E

T
|
T

K

D

F

M

A

-

S

-

A

-

L

-

V

-

K

-

N

N

E

D

A

E

I

Q

L

R

N

T

A

A

A

T

L

L

Q

A

Q

Q

I

V

P

P

L

A

K

G

R

R

V

L

A

G

D

D

P

P

K

R

E

E

M

I

A

A

G

S

A

A

V

V

L

A

Y

F

L

L

A

A

S

S

D

P

A

E

S

A

Y

Y

T

I

T

T

G

G

T

E

T

T

L

L

N

H

V

V

D

N

G

G

F

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), G19 (= G22), I20 (= I23), A39 (≠ S42), T40 (≠ R43), L61 (≠ C67), N62 (≠ H68), V63 (≠ I69), N89 (= N95), A90 (= A96), G91 (≠ A97), I92 (≠ T98), T112 (≠ V119), V139 (= V146), G140 (≠ A147), S141 (= S148), Y154 (= Y161), K158 (= K165), P184 (= P191), G185 (= G192), F186 (≠ L193), I187 (≠ T194), T189 (= T196)

7tzpG Crystal structure of putataive short-chain dehydrogenase/reductase (fabg) from klebsiella pneumoniae subsp. Pneumoniae ntuh-k2044 in complex with nadh
35% identity, 98% coverage: 4:254/255 of query aligns to 1:246/247 of 7tzpG

query
sites
7tzpG

T

S

H

N

L

A

F

M

D

K

L

L

D

A

G

S

K

K

I

T

A

A

F

I

V

V

S

T

G
|
G

A

A

S
x
A

R
|
R

G
|
G

I
|
I

G

G

E

F

A

G

I

I

A

A

H

Q

L

V

L

L

A

A

Q

R

Q

E

G

G

A

A

H

R

V

V

I

I

V

I

S

A

S
x
D

R
|
R

K

D

L

A

D

H

G

G

C

-

Q

E

Q

A

V

A

A

A

D

A

A

S

I

L

I

R

A

E

A

S

G

G

G

A

K

Q

A

A

T

L

A

F

V

I

A

S

C
|
C

H
x
N

I
|
I

G

A

E

E

L

K

E

T

Q

Q

I

V

Q

E

Q

A

V

L

F

F

A

S

G

Q

I

A

R

E

E

E

Q

A

F

F

G

G

R

P

L

V

D

D

V

I

L

L

V

V

N

N

N
|
N

A
|
A

A
x
G

T
x
I

N

N

-

R

-

D

P

A

Q

M

F

L

C

H

N

K

V

L

L

T

D

E

T

A

D

D

P

-

G

-

A

-

F

W

Q

D

K

T

T

V

V

I

D

D

V
|
V

N

N

I

L

R

K

G

G

Y

T

F

F

F

L

M

C

S

M

V

Q

E

Q

A

A

G

A

K

I

L

R

M

M

R

R

E

E

N

R

G

G

G

A

G

G

S

R

I

I

N

N

V
x
I

A

A

S
|
S

I

A

N

S

G

W

V

L

S

G

P

-

G

N

L

V

F

G

Q

Q

G

T

I

N

Y
|
Y

S

S

V

A

T

S

K
|
K

A

A

A

G

V

V

I

V

N

G

M

M

T

T

K

K

V

T

F

A

A

C

K

R

E

E

C

L

A

A

P

K

F

K

G

G

I

V

R

T

C

V

N

N

A

A

L

I

L

C

P
|
P

G
|
G

L
x
F

T
x
I

D

D

T
|
T

K

D

F
x
M

A
x
T

S

R

A

G

L

V

V

P

K

E

N

N

E

-

A

-

I

V

L

W

N

Q

A

I

A

M

L

V

Q

S

Q

K

I

I

P

P

L

A

K

G

R

Y

V

A

A

G

D

E

P

A

K

K

E

D

M

V

A

G

G

E

A

C

V

V

L

A

Y

F

L

L

A

A

S

S

D

D

A

G

S

A

S

R

Y

Y

T

I

T

N

G

G

T

E

T

V

L

I

N

N

V

V

D

G

G

G

F

M

L

V

binding 1,4-dihydronicotinamide adenine dinucleotide: G15 (= G18), A17 (≠ S20), R18 (= R21), G19 (= G22), I20 (= I23), D39 (≠ S42), R40 (= R43), C63 (= C67), N64 (≠ H68), I65 (= I69), N91 (= N95), A92 (= A96), G93 (≠ A97), I94 (≠ T98), V114 (= V119), I141 (≠ V146), S143 (= S148), Y155 (= Y161), K159 (= K165), P185 (= P191), G186 (= G192), F187 (≠ L193), I188 (≠ T194), T190 (= T196), M192 (≠ F198), T193 (≠ A199)

6ixmC Crystal structure of the ketone reductase chkred20 from the genome of chryseobacterium sp. Ca49 complexed with NAD (see paper)
35% identity, 96% coverage: 9:253/255 of query aligns to 3:245/248 of 6ixmC

query
sites
6ixmC

L

L

D

D

G

N

K

K

I

V

A

A

F

L

V

V

S

T

G
|
G

A

A

S
x
G

R
x
S

G
|
G

I
|
I

G

G

E

L

A

A

I

V

A

A

H

H

L

S

L

Y

A

A

Q

K

Q

E

G

G

A

A

H

K

V

V

I

I

V

V

S

S

S
x
D

R
x
I

K

N

L

E

D

D

G

H

C

G

Q

N

Q

K

V

A

A

V

D

E

A

D

I

I

I

K

A

A

A

Q

G

G

K

E

A

A

T

S

A

F

V

V

A

K

C
x
A

H
x
D

I
x
T

G

S

E

N

L

P

E

E

Q

E

I

V

Q

E

Q

A

V

L

F

V

A

K

G

R

I

T

R

V

E

E

Q

I

F

Y

G

G

R

R

L

L

D

D

V

I

L

A

V

C

N

N

N
|
N

A
|
A

A
x
G

T

I

N

G

P

G

Q

E

F

Q

C

A

N

L

V

A

L

G

D

D

T

Y

D

G

P

L

G

D

A

S

F

W

Q

R

K

K

T

V

V

L

D

S

V

I

N

N

I

L

R

D

G

G

Y

V

F

F

F

Y

M

G

S

C

V

K

E

Y

A

E

G

L

K

E

L

Q

M

M

R

E

E

K

N

N

G

G

S

V

I

I

I

V

N

N

V
x
M

A
|
A

S
|
S

I

I

N

H

G

G

V

I

S

V

P

A

G

A

L

P

F

L

Q

S

G

S

I

A

Y
|
Y

S

T

V

S

T

A

K
|
K

A

H

A

A

V

V

I

V

N

G

M

L

T

T

K

K

V

N

F

I

A

G

K

A

E

E

C

Y

A

G

P

Q

F

K

G

N

I

I

R

R

C

C

N

N

A

A

L

V

L

G

P
|
P

G
x
A

L
x
Y

T
x
I

D

E

T
|
T

K

P

F
x
L

A

L

S

E

A

S

L

L

V

T

K

K

N

E

E

-

A

-

I

M

L

K

N

E

A

A

A

L

L

I

Q

S

Q

K

I

H

P

P

L

M

K

G

R

R

V

L

A

G

D

K

P

P

K

E

E

E

M

V

A

A

G

E

A

L

V

V

L

L

Y

F

L

L

A

S

S

S

D

E

A

K

S

S

Y

F

T

M

T

T

G

G

T

G

T

Y

L

Y

N

L

V

V

D

D

G

G

F

Y

active site: G16 (= G22), S142 (= S148), Y155 (= Y161), K159 (= K165)
binding nicotinamide-adenine-dinucleotide: G12 (= G18), G14 (≠ S20), S15 (≠ R21), G16 (= G22), I17 (= I23), D36 (≠ S42), I37 (≠ R43), A61 (≠ C67), D62 (≠ H68), T63 (≠ I69), N89 (= N95), A90 (= A96), G91 (≠ A97), M140 (≠ V146), A141 (= A147), S142 (= S148), Y155 (= Y161), K159 (= K165), P185 (= P191), A186 (≠ G192), Y187 (≠ L193), I188 (≠ T194), T190 (= T196), L192 (≠ F198)

4jroC Crystal structure of 3-oxoacyl-[acyl-carrier protein]reductase (fabg) from listeria monocytogenes in complex with NADP+
37% identity, 96% coverage: 9:254/255 of query aligns to 3:246/247 of 4jroC

query
sites
4jroC

L

L

D

Q

G

G

K

K

I

V

A

A

F

V

V

V

S

T

G
|
G

A

G

S
|
S

R
|
R

G
|
G

I
|
I

G

G

E

R

A

D

I

I

A

A

H

I

L

N

L

L

A

A

Q

K

Q

E

G

G

A

A

H

N

V

I

I

F

V

F

S
x
N

S
x
Y

R
x
N

-
x
G

K
x
S

L

P

D

E

G

A

C

A

Q

E

V

T

A

A

D

K

A

L

I

V

I

A

A

E

A

H

G

G

G

V

K

E

A

V

T

E

A

A

V

M

A

K

C
x
A

H
x
N

I
x
V

G

A

E

I

L

A

E

E

Q

D

I

V

Q

D

Q

A

V

F

F

F

A

K

G

Q

I

A

R

I

E

E

Q

R

F

F

G

G

R

R

L

V

D

D

V

I

L

L

V

V

N

N

N
|
N

A
|
A

A
x
G

-
x
I

T

T

N

R

P

D

Q

N

F

L

C

L

N

M

V

R

L

M

D

K

T

E

D

D

P

E

G

-

A

-

F

W

Q

D

K

D

T

V

V

I

D

N

V
x
I

N

N

I

L

R

K

G

G

Y

T

F

F

F

L

M

C

S

T

V

K

E

A

A

V

G

S

K

R

L

T

M

M

R

M

E

K

N

Q

G

R

G

A

G

G

S

K

I

I

N

N

V

M

A
|
A

S
|
S

I

V

N

V

G

G

V

L

S

I

P

G

G

N

L

A

F

G

Q
|
Q

G

A

I

N

Y
|
Y

S

V

V

A

T

S

K
|
K

A

A

A

G

V

V

I

I

N

G

M

L

T

T

K

K

V

T

F

T

A

A

K

R

E

E

C

L

A

A

P

P

F

R

G

G

I

I

R

N

C

V

N

N

A

A

L

V

L

A

P
|
P

G
|
G

L

F

T
x
I

D

T

T
|
T

K

D

F

M

A

T

S

D

A

K

L

L

V

-

K

-

N

D

E

E

A

K

I

T

L

K

N

E

A

A

A

M

L

L

Q

A

Q

Q

I

I

P

P

L

L

K

G

R

A

V

Y

A

G

D

T

P

T

K

E

E

D

M

I

A

A

G

N

A

A

V

V

L

L

Y

F

L

L

A

A

S

S

D

D

A

A

S

S

S

K

Y

Y

T

I

T

T

G

G

T

Q

T

T

L

L

N

S

V

V

D

D

G

G

F

M

L

V

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 (≠ S41), Y36 (≠ S42), N37 (≠ R43), G38 (vs. gap), S39 (≠ K44), A62 (≠ C67), N63 (≠ H68), V64 (≠ I69), N90 (= N95), A91 (= A96), G92 (≠ A97), I93 (vs. gap), I113 (≠ V119), A141 (= A147), S142 (= S148), Y155 (= Y161), K159 (= K165), P185 (= P191), G186 (= G192), I188 (≠ T194), T190 (= 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)
37% identity, 98% coverage: 7:255/255 of query aligns to 3:248/249 of 3uf0A

query
sites
3uf0A

F

F

D

S

L

L

D

A

G

G

K

R

I

T

A

A

F

V

V

V

S

T

G
|
G

A

A

S

G

R
x
S

G
|
G

I
|
I

G

G

E

R

A

A

I

I

A

A

H

H

L

G

L

Y

A

A

Q

R

Q

A

G

G

A

A

H

H

V

V

I

L

V

A

S

W

S
x
G

R
|
R

K
x
T

L

-

D

D

G

G

C

V

Q

K

Q

E

V

V

A

A

D

D

A

E

I

I

I

A

A

D

A

G

G

G

K

S

A

A

T

E

A

A

V

V

A

V

C
x
A

H
x
D

I
x
L

G
x
A

E

D

L

L

E

E

-

G

-

A

Q

N

I

V

Q

A

Q

E

V

E

F

L

A

A

G

A

I

T

R

R

E

-

Q

-

F

-

G

-

R

R

L

V

D

D

V

V

L

L

V

V

N

N

N
|
N

A
|
A

A
x
G

T
x
I

N

I

P

A

Q

R

F

-

C

A

N

P

V

A

L

E

D

E

T

V

D

S

P

L

G

G

A

R

F

W

Q

R

K

E

T

V

V

L

D

T

V
|
V

N

N

I

L

R

D

G

A

Y

A

F

W

F

V

M

L

S

S

V

R

E

S

A

F

G

G

K

T

L

A

M

M

R

L

E

A

N

H

G

G

G

S

G

G

S

R

I

I

I

V

N

T

V
x
I

A
|
A

S
|
S

I

M

N

L

G

S

V

F

S

Q

P

G

G

G

L

R

F

N

Q
x
V

G

A

I

A

Y
|
Y

S

A

V

A

T

S

K
|
K

A

H

A

A

V

V

I

V

N

G

M

L

T

T

K

R

V

A

F

L

A

A

K

S

E

E

C

W

A

A

P

G

F

R

G

G

I

V

R

G

C

V

N

N

A

A

L

L

L

A

P
|
P

G
|
G

L
x
Y

T
x
V

D

V

T
|
T

K

A

F
x
N

A
x
T

S

A

A

A

L

L

V

R

K

A

N

D

E

D

A

E

I

R

L

A

N

A

A

E

A

I

L

T

Q

A

Q

R

I

I

P

P

L

A

K

G

R

R

V

W

A

A

D

T

P

P

K

E

E

D

M

M

A

V

G

G

A

P

V

A

L

V

Y

F

L

L

A

A

S

S

D

D

A

A

S

A

S

S

Y

Y

T

V

T

H

G

G

T

Q

T

V

L

L

N

A

V

V

D

D

G

G

F

W

L

L

S

A

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), G38 (≠ S42), R39 (= R43), T40 (≠ K44), A62 (≠ C67), D63 (≠ H68), L64 (≠ I69), A65 (≠ G70), N89 (= N95), A90 (= A96), G91 (≠ A97), I92 (≠ T98), V112 (= V119), I139 (≠ V146), A140 (= A147), S141 (= S148), Y154 (= Y161), K158 (= K165), P184 (= P191), G185 (= G192), Y186 (≠ L193), V187 (≠ T194), T189 (= T196), N191 (≠ F198), T192 (≠ A199)

P73574 3-oxoacyl-[acyl-carrier-protein] reductase; 3-ketoacyl-acyl carrier protein reductase; EC 1.1.1.100 from Synechocystis sp. (strain PCC 6803 / Kazusa) (see paper)
39% identity, 96% coverage: 9:254/255 of query aligns to 4:245/247 of P73574

query
sites
P73574

L

L

D

T

G

A

K

Q

I

V

A

A

F

L

V

V

S

T

G

G

A
|
A

S

S

R

R

G

G

I

I

G

G

E

K

A

A

I

T

A

A

H

L

L

A

L

L

A

A

Q

A

Q

T

G

G

A

M

H

K

V

V

I

V

V

V

S

N

-

Y

S

A

R

Q

K

S

L

S

D

T

G

A

C

A

Q

D

Q

A

V

V

A

V

D

A

A

E

I

I

A

A

A

N

G

G

K

E

A

A

T

I

A

A

V

V

A

Q

C

A

H

N

I

V

G

A

E

N

L

A

E

D

Q

E

I

V

Q

D

Q

Q

V

L

F

I

A

K

G

T

I

T

R

L

E

D

Q

K

F

F

G

S

R

R

L

I

D

D

V

V

L

L

V

V

N

N

A

A

A

G

T

I

N

T

P

R

Q

D

F

T

C

L

N

-

V

L

L

L

D

R

T

M

D

K

P

L

G

E

A

D

F

W

Q

Q

K

A

T

V

V

I

D

D

V

L

N

N

I

L

R

T

G

G

Y

V

F

F

F

L

M

C

S

T

V

K

E

A

A

V

G

S

K

K

L

L

M

M

R

L

E

K

N

Q

G

K

G

S

G

G

S

R

I

I

N

N

V

I

A

T

S

S

I

V

N

A

G

G

V

M

-

M

-

G

S

N

P
|
P

G

G

L

-

F

-

Q

Q

G

A

I

N

Y

Y

S

S

V

A

T

A

K
|
K

A

A

A

G

V

V

I

I

N

G

M

F

T

T

K

K

V

T

F

V

A

A

K

K

E

E

C

L

A

A

P

S

F

R

G

G

I

V

R

T

C

V

N

N

A

A

L

V

L

A

P

P

G

G

L
x
F

T

-

D

-

T

-

K

-

F

I

A

A

S

T

A

D

L

M

V

T

K

E

N

N

E

-

A

-

I

-

L

L

N
|
N

A

A

A

E

-

P

-

I

L

L

Q

Q

Q

F

I

I

P

P

L

L

K

A

R

R

V

Y

A

G

D

Q

P

P

K

E

E

E

M

V

A

A

G

G

A

T

V

I

L

R

Y

F

L

L

A

A

S

T

D

D

-

P

A

A

S

A

Y

Y

T

I

T

T

G

G

T

Q

T

T

L

F

N

N

V

V

D

D

G

G

F

M

L

V

A14 (= A19) mutation to G: 4.2-fold increase in activity on acetoacetyl-CoA.
P151 (= P154) mutation to F: 2.7-fold increase in activity on acetoacetyl-CoA.; mutation to V: 5.7-fold increase in activity on acetoacetyl-CoA.
K160 (= K165) mutation to A: Almost no activity on acetoacetyl-CoA.
F188 (≠ L193) mutation to Y: 3.3-fold increase in activity on acetoacetyl-CoA.
N198 (= N210) mutation to R: 3.5-fold increase in activity on acetoacetyl-CoA.

4nbuB Crystal structure of fabg from bacillus sp (see paper)
32% identity, 98% coverage: 5:254/255 of query aligns to 1:243/244 of 4nbuB

query
sites
4nbuB

H

H

L

M

F

S

D

R

L

L

D

Q

G

D

K

K

I

V

A

A

F

I

V

I

S

T

G
|
G

A

A

S
x
A

R
x
N

G
|
G

I
|
I

G

G

E

L

A

E

I

A

A

A

H

R

L

V

L

F

A

M

Q

K

Q

E

G

G

A

A

H

K

V

V

I

V

V

I

S

A

S

-

R

-

K

-

L

-

D
|
D

G
x
F

C
x
N

Q

E

Q

A

V

A

A

G

D

K

A

E

I

A

I

V

A

E

A

A

G

N

G

P

K

G

A

V

T

V

A

F

V

I

A

R

C
x
V

H
x
D

I
x
V

G

S

E

D

L

R

E

E

Q

S

I

V

Q

H

Q

R

V

L

F

V

A

E

G

N

I

V

R

A

E

E

Q

R

F

F

G

G

R

K

L

I

D

D

V

I

L

L

V

I