SitesBLAST

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, 95% coverage: 9:252/256 of query aligns to 31:274/279 of Q8WNV7

query
sites
Q8WNV7

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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 (≠ S174) 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, 95% coverage: 9:252/256 of query aligns to 30:273/278 of Q9BTZ2

query
sites
Q9BTZ2

L

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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 (≠ S174) 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, 95% coverage: 9:252/256 of query aligns to 6:249/254 of 3o4rA

query
sites
3o4rA

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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), H65 (= H68), V66 (≠ I69), N92 (= N95), A94 (= A97), S145 (= S148), Y158 (= Y161), K162 (= K165), P188 (= P191), G189 (= G192), L190 (= L193), I191 (≠ T194), T193 (= T196), F195 (= F198), S196 (≠ A199)

1vl8B Crystal structure of gluconate 5-dehydrogenase (tm0441) from thermotoga maritima at 2.07 a resolution
32% identity, 97% coverage: 6:253/256 of query aligns to 1:249/252 of 1vl8B

query
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1vl8B

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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 (≠ I69), A91 (≠ N95), A92 (= A96), G93 (≠ A97), I94 (≠ A98), V114 (= V119), I141 (≠ V146), S143 (= S148), Y157 (= Y161), K161 (= K165), P187 (= P191), G188 (= G192), Y190 (≠ T194), T192 (= T196), M194 (≠ F198), T195 (≠ A199)

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: 5:254/256 of query aligns to 2:246/247 of 7tzpG

query
sites
7tzpG

N

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L

R

R

D

E

A

S

G

G

G

A

S

Q

A

A

E

L

A

F

Y

I

A

S

C
|
C

H

N

I
|
I

G

A

D

E

M

K

D

T

Q

Q

I

V

E

E

S

A

I

L

W

F

A

S

H

Q

I

A

D

E

Q

E

T

A

H

F

G

G

K

P

L

V

D

D

I

I

L

L

V

V

N

N

N
|
N

A

A

A
x
G

A
x
I

N

N

-

R

-

D

P

A

Y

M

F

L

G

H

P

K

V

L

E

T

D

E

T

A

D

D

L

-

G

-

A

-

F

W

N

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

C

M

A

Q

R

Q

G

A

A

A

Q

I

M

R

M

M

K

R

K

E

A

R

G

G

G

A

G

G

S

R

I

I

V

I

N

N

V

I

A

A

S

S

V

A

N

S

G

W

V

L

-

G

N

N

P

V

G

G

H

Q

Y

T

Q

N

G

-

I

-

Y
|
Y

S

S

V

A

T

S

K
|
K

A

A

A

G

V

V

I

V

S

G

M

M

T

T

K

K

S

T

F

A

A

C

M

R

E

E

L

L

G

A

Q

K

K

G

I

V

R

T

V

V

N

N

A

A

L

I

L

C

P

P

G

G

L

F

T
x
I

D

D

T
|
T

K

D

F

M

A
x
T

S

R

A

G

L

V

T

P

T

E

N

N

E

-

A

-

I

V

K

W

K

Q

Q

I

A

M

M

V

A

S

H

K

I

I

P

P

M

A

K

G

R

Y

V

A

A

G

D

E

P

A

G

K

E

D

M

V

A

G

G

E

T

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

A

E

C

V

I

I

N

N

A

V

D

G

G

G

Y

M

L

V

binding 1,4-dihydronicotinamide adenine dinucleotide: G15 (= G18), R18 (= R21), G19 (= G22), I20 (= I23), D39 (≠ S42), R40 (= R43), C63 (= C67), I65 (= I69), N91 (= N95), G93 (≠ A97), I94 (≠ A98), V114 (= V119), Y155 (= Y161), K159 (= K165), I188 (≠ T194), T190 (= T196), T193 (≠ A199)

6ixmC Crystal structure of the ketone reductase chkred20 from the genome of chryseobacterium sp. Ca49 complexed with NAD (see paper)
35% identity, 97% coverage: 9:256/256 of query aligns to 3:248/248 of 6ixmC

query
sites
6ixmC

L

L

T

D

G

N

K

K

V

V

A

A

L

L

I

V

T

T

G
|
G

A

A

S

G

R
x
S

G
|
G

I
|
I

G

G

E

L

S

A

I

V

A

A

R

H

T

S

L

Y

A

A

E

K

Y

E

G

G

A

A

H

K

V

V

I

I

V

V

S

S

S
x
D

R
x
I

K

N

I

E

D

D

G

H

C

G

E

N

A

K

V

A

A

V

S

E

S

D

I

I

R

K

D

A

A

Q

G

G

S

E

A

A

E

S

A

F

Y

V

A

K

C
x
A

H
x
D

I
x
T

G

S

D

N

M

P

D

E

Q

E

I

V

E

E

S

A

I

L

W

V

A

K

H

R

I

T

D

V

Q

E

T

I

H

Y

G

G

K

R

L

L

D

D

I

I

L

A

V

C

N

N

N
|
N

A
|
A

A

G

A

I

N

G

P

G

Y

E

F

Q

G

A

P

L

V

A

E

G

D

D

T

Y

D

G

L

L

G

D

A

S

F

W

N

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

C

C

A

K

R

Y

G

E

A

L

Q

E

M

Q

M

M

K

E

K

K

A

N

G

G

S

V

I

I

V

V

N

N

V
x
M

A

A

S
|
S

V

I

N

H

G

G

V

I

N

V

P

A

G

A

H

P

Y

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

S

G

M

L

T

T

K

K

S

N

F

I

A

G

M

A

E

E

L

Y

G

G

Q

Q

Q

K

K

N

I

I

R

R

V

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

T

T

T

-

N

-

E

K

A

E

I

M

K

K

K

E

Q

A

A

L

M

I

A

S

H

K

I

H

P

P

M

M

K

G

R

R

V

L

A

G

D

K

P

P

G

E

E

E

M

V

A

A

G

E

T

L

V

V

L

L

Y

F

L

L

V

S

S

S

D

E

A

K

S

S

Y

F

T

M

T

T

G

G

A

G

C

Y

I

Y

N

L

A

V

D

D

G

G

Y

Y

L

T

T

A

V

V

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

3uf0A Crystal structure of a putative NAD(p) dependent gluconate 5- dehydrogenase from beutenbergia cavernae(efi target efi-502044) with bound NADP (low occupancy)
35% identity, 97% coverage: 7:254/256 of query aligns to 3:247/249 of 3uf0A

query
sites
3uf0A

F

F

D

S

L

L

T

A

G

G

K

R

V

T

A

A

L

V

I

V

T

T

G
|
G

A

A

S

G

R
x
S

G
|
G

I
|
I

G

G

E

R

S

A

I

I

A

A

R

H

T

G

L

Y

A

A

E

R

Y

A

G

G

A

A

H

H

V

V

I

L

V

A

S

W

S

G

R
|
R

K

T

I

-

D

D

G

G

C

V

E

K

A

E

V

V

A

A

S

D

S

E

I

I

R

A

D

D

A

G

G

G

S

S

A

A

E

E

A

A

Y

V

A

V

C

A

H
x
D

I
x
L

G

A

D

D

M

L

D

E

Q

G

I

A

E

A

S

N

I

V

W

A

A

E

H

E

I

L

D

A

Q

A

T

T

H

R

G

-

K

R

L

V

D

D

I

V

L

L

V

V

N

N

N
|
N

A

A

A
x
G

A
x
I

N

I

P

A

Y

R

F

-

G

A

P

P

V

A

E

E

D

E

T

V

D

S

L

L

G

G

A

R

F

W

N

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

C

S

A

R

R

S

G

F

A

G

Q

T

M

A

M

M

K

L

K

A

A

H

G

G

G

S

G

G

S

R

I

I

V

V

N

T

V
x
I

A
|
A

S
|
S

V

M

N

L

G

S

V

F

N

Q

P

G

G

G

H

R

Y

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

S

G

M

L

T

T

K

R

S

A

F

L

A

A

M

S

E

E

L

W

G

A

Q

G

Q

R

K

G

I

V

R

G

V

V

N

N

A

A

L

L

L

A

P
|
P

G
|
G

L

Y

T
x
V

D

V

T
|
T

K

A

F
x
N

A
x
T

S

A

A

A

L

L

T

R

T

A

N

D

E

D

A

E

I

R

K

A

Q

E

A

I

M

T

A

A

H

R

I

I

P

P

M

A

K

G

R

R

V

W

A

A

D

T

P

P

G

E

E

D

M

M

A

V

G

G

T

P

V

A

L

V

Y

F

L

L

V

A

S

S

D

D

A

A

S

A

S

S

Y

Y

T

V

T

H

G

G

A

Q

C

V

I

L

N

A

A

V

D

D

G

G

Y

W

L

L

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 (≠ I69), N89 (= N95), G91 (≠ A97), I92 (≠ A98), I139 (≠ V146), A140 (= A147), S141 (= S148), Y154 (= Y161), K158 (= K165), P184 (= P191), G185 (= G192), V187 (≠ T194), T189 (= T196), N191 (≠ F198), T192 (≠ A199)

7do7A Crystal structure of azotobacter vinelandii l-rhamnose 1- dehydrogenase(NAD and l-rhamnose bound-form) (see paper)
35% identity, 96% coverage: 9:254/256 of query aligns to 3:252/256 of 7do7A

query
sites
7do7A

L

L

T

I

G

D

K

K

V

T

A

V

L

I

I

V

T

T

G
|
G

A

A

S

S

R
|
R

G
|
G

I
|
I

G

G

E

R

S

A

I

A

A

A

R

R

T

E

L

C

A

A

E

R

Y

Q

G

G

A

A

H

R

V

V

I

V

V

I

S

G

S

H

R
x
S

K

G

I

S

D

D

-

E

-

G

-

R

-

A

G

G

C

A

E

L

A

S

V

L

A

A

S

E

I

I

R

A

D

A

A

F

G

G

S

T

A

A

E

I

A

A

Y

V

A

G

C

A

H
x
D

I
x
A

G

A

D

D

M

L

D

D

Q

S

I

G

E

E

S

K

I

L

W

V

A

A

H

A

I

A

D

V

Q

E

T

A

H

F

G

G

K

S

L

V

D

D

I

V

L

L

V

V

N

N

N
|
N

A
|
A

A
x
G

A
x
I

N

C

P

P

Y

-

F
|
F

G

H

P

S

V

F

E

L

D

D

T

M

D

P

L

R

G

E

A

L

F

Y

N

L

K

K

T

T

V

V

D

G

V

T

N

N

I

L

R

N

G

G

Y

A

F

Y

F

F

M

T

C

V

A

Q

R

A

G

A

A

A

Q

R

M

R

M

M

K

K

K

E

A

Q

G

G

-

R

G

G

S

A

I

I

V

I

N

A

V
|
V

A
x
S

S
|
S

V

I

N
x
S

G

A

V

L

N

V

P

G

G

G

H

A

Y

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

S

S

M

L

T

M

K

Q

S

S

F

C

A

A

M

I

E

A

L

L

G

G

Q

P

Q

Y

K

G

I

I

R

R

V

C

N

N

A

A

L

V

L

L

P
|
P

G
|
G

L

T

T
x
I

D

A

T
|
T

K

D

F
x
I

A
x
N

S

K

A

E

L

D

T

L

T

S

N

D

E

L

A

E

I

K

K

R

K

E

Q

R

A

M

M

T

A

S

H

R

I

V

P

P

M

L

K

G

R

R

V

L

A

G

D

E

P

P

G

D

E

D

M

L

A

A

G

G

T

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

A

A

C

S

I

L

N

L

A

V

D

D

G

G

Y

L

L

F

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 (≠ I69), N93 (= N95), A94 (= A96), G95 (≠ A97), I96 (≠ A98), V144 (= V146), 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)
35% identity, 96% coverage: 9:254/256 of query aligns to 3:252/256 of 7b81A

query
sites
7b81A

L

L

T

I

G

D

K

K

V

T

A

V

L

I

I

V

T

T

G
|
G

A

A

S
|
S

R
|
R

G
|
G

I
|
I

G

G

E

R

S

A

I

A

A

A

R

R

T

E

L

C

A

A

E

R

Y

Q

G

G

A

A

H

R

V

V

I

V

V

I

S

G

S

H

R

S

K

G

I

S

D

D

-

E

-

G

-

R

-

A

G

G

C

A

E

L

A

S

V

L

A

A

S

E

I

I

R

A

D

A

A

F

G

G

S

T

A

A

E

I

A

A

Y

V

A

G

C

A

H
x
D

I
x
A

G

A

D

D

M

L

D

D

Q

S

I

G

E

E

S

K

I

L

W

V

A

A

H

A

I

A

D

V

Q

E

T

A

H

F

G

G

K

S

L

V

D

D

I

V

L

L

V

V

N

N

N
|
N

A
|
A

A
x
G

A
x
I

N

C

P

P

Y

-

F

F

G

H

P

S

V

F

E

L

D

D

T

M

D

P

L

R

G

E

A

L

F

Y

N

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

C

V

A

Q

R

A

G

A

A

A

Q

R

M

R

M

M

K

K

K

E

A

Q

G

G

-

R

G

G

S

A

I

I

V

I

N

A

V
|
V

A

S

S
|
S

V

I

N

S

G

A

V

L

N

V

P

G

G

G

H

A

Y

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

S

S

M

L

T

M

K

Q

S

S

F

C

A

A

M

I

E

A

L

L

G

G

Q

P

Q

Y

K

G

I

I

R

R

V

C

N

N

A

A

L

V

L

L

P
|
P

G
|
G

L

T

T
x
I

D

A

T
|
T

K

D

F
x
I

A

N

S

K

A

E

L

D

T

L

T

S

N

D

E

L

A

E

I

K

K

R

K

E

Q

R

A

M

M

T

A

S

H

R

I

V

P

P

M

L

K

G

R

R

V

L

A

G

D

E

P

P

G

D

E

D

M

L

A

A

G

G

T

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

A

A

C

S

I

L

N

L

A

V

D

D

G

G

Y

L

L

F

active site: G16 (= G22), S146 (= S148), Y159 (= Y161)
binding nicotinamide-adenine-dinucleotide: G12 (= G18), S14 (= S20), R15 (= R21), I17 (= I23), D66 (≠ H68), A67 (≠ I69), N93 (= N95), A94 (= A96), G95 (≠ A97), I96 (≠ A98), T116 (≠ V119), V144 (= V146), S146 (= S148), Y159 (= Y161), K163 (= K165), P189 (= P191), G190 (= G192), I192 (≠ T194), T194 (= T196), I196 (≠ F198)

3osuA Crystal structure of the 3-oxoacyl-acyl carrier protein reductase, fabg, from staphylococcus aureus
37% identity, 94% coverage: 12:252/256 of query aligns to 5:243/246 of 3osuA

query
sites
3osuA

K

K

V

S

A

A

L

L

I

V

T

T

G

G

A

A

S

S

R

R

G
|
G

I

I

G

G

E

R

S

S

I

I

A

A

R

L

T

Q

L

L

A

A

E

E

Y

E

G

G

A

Y

H

N

V

V

I

A

V

V

S

N

-

Y

S

A

R

G

K

S

I

K

D

E

G

K

C

A

E

E

A

A

V

V

A

V

S

E

I

I

R

K

D

A

A

K

G

G

G

V

S

D

A

S

E

F

A

A

Y

I

A

Q

C

A

H

N

I

V

G

A

D

D

M

A

D

D

Q

E

I

V

E

K

S

A

I

M

W

I

A

K

H

E

I

V

D

V

Q

S

T

Q

H

F

G

G

K

S

L

L

D

D

I

V

L

L

V

V

N

N

N
|
N

A

A

A

-

N

-

P

-

Y

-

F

-

G

G

P

I

V

T

E

R

D

D

T

N

D

L

L

L

-

M

-

R

-

M

-

K

-

E

G

Q

A

E

F

W

N

D

K

D

T

V

V

I

D

D

V

T

N

N

I

L

R

K

G

G

Y

V

F

F

F

N

M

C

C

I

A

Q

R

K

G

A

A

T

Q

P

M

Q

M

M

K

L

K

R

A

Q

G

R

G

S

G

G

S

A

I

I

V

I

N

N

V

L

A

S

S
|
S

V

V

N

V

G

G

V

A

-

V

-

G

N

N

P

P

G

G

H

-

Y

-

Q
|
Q

G

A

I

N

Y
|
Y

S

V

V

A

T

T

K
|
K

A

A

A

G

V

V

I

I

S

G

M

L

T

T

K

K

S

S

F

A

A

A

M

R

E

E

L

L

G

A

Q

S

Q

R

K

G

I

I

R

T

V

V

N

N

A

A

L

V

L

A

P

P

G

G

L

F

T

I

D

V

T

S

K

D

F

M

A

T

S

D

A

A

L

L

T

S

T

-

N

-

E

D

A

E

I

L

K

K

K

E

Q

Q

A

M

M

L

A

T

H

Q

I

I

P

P

M

L

K

A

R

R

V

F

A

G

D

Q

P

D

G

T

E

D

M

I

A

A

G

N

T

T

V

V

L

A

Y

F

L

L

V

A

S

S

D

D

A

K

S

A

S

K

Y

Y

T

I

T

T

G

G

A

Q

C

T

I

I

N

H

A

V

D

N

G

G

active site: G15 (= G22), S141 (= S148), Q151 (= Q158), Y154 (= Y161), K158 (= K165)
binding magnesium ion: N89 (= N95), K158 (= K165)

7do6A Crystal structure of azotobacter vinelandii l-rhamnose 1- dehydrogenase(NADP bound-form) (see paper)
35% identity, 96% coverage: 9:254/256 of query aligns to 3:243/247 of 7do6A

query
sites
7do6A

L

L

T

I

G

D

K

K

V

T

A

V

L

I

I

V

T

T

G
|
G

A

A

S
|
S

R
|
R

G
|
G

I
|
I

G

G

E

R

S

A

I

A

A

A

R

R

T

E

L

C

A

A

E

R

Y

Q

G

G

A

A

H

R

V

V

I

V

V

I

S

G

S
x
H

R
x
S

K

G

I

S

D

D

-

E

-
x
G

-

R

-

A

G

G

C

A

E

L

A

S

V

L

A

A

S

E

I

I

R

A

D

A

A

F

G

G

S

T

A

A

E

I

A

A

Y

V

A

G

C

A

H
x
D

I
x
A

G

A

D

D

M

L

D

D

Q

S

I

G

E

E

S

K

I

L

W

V

A

A

H

A

I

A

D

V

Q

E

T

A

H

F

G

G

K

S

L

V

D

D

I

V

L

L

V

V

N

N

N
|
N

A
|
A

A
x
G

A
x
I

N

C

P

P

Y

-

F

F

G

H

P

S

V

F

E

L

D

D

T

M

D

P

L

R

G

E

A

L

F

Y

N

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

C

V

A

Q

R

A

G

A

A

A

Q

R

M

R

M

M

K

K

K

E

A

Q

G

G

-

R

G

G

S

A

I

I

V

I

N

A

V

V

A

S

S
|
S

V

I

N

S

G

A

V

L

N

V

P

G

G

G

H

A

Y

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

S

S

M

L

T

M

K

Q

S

S

F

C

A

A

M

I

E

A

L

L

G

G

Q

P

Q

Y

K

G

I

I

R

R

V

C

N

N

A

A

L

V

L

L

P

P

G

G

L

-

T

-

D

-

T

-

K

-

F

-

A

-

S

-

A

-

L

-

T

T

T
x
I

N

A

E

D

A

L

I

E

K

K

K

R

Q

E

A

R

M

M

-

T

A

S

H

R

I

V

P

P

M

L

K

G

R

R

V

L

A

G

D

E

P

P

G

D

E

D

M

L

A

A

G

G

T

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

A

A

C

S

I

L

N

L

A

V

D

D

G

G

Y

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 (≠ A98), T116 (≠ V119), S146 (= S148), Y159 (= Y161), K163 (= K165), I192 (≠ T204)

5jc8D Crystal structure of a putative short-chain dehydrogenase/reductase from burkholderia xenovorans
36% identity, 95% coverage: 9:252/256 of query aligns to 4:256/262 of 5jc8D

query
sites
5jc8D

L

L

T

Q

G

G

K

K

V

V

A

A

L

L

I

V

T

T

G

G

A

A

S

G

-

C

-

I

-

G

-

P

-

G

R

W

G
|
G

I

N

G

G

E

R

S

A

I

I

A

A

R

V

T

R

L

F

A

A

E

E

Y

E

G

G

A

A

H

H

V

V

I

I

V

A

S

V

S

D

R

R

K

D

I

L

D

A

G

S

C

M

E

D

A

A

V

T

A

L

S

E

S

L

I

V

R

R

D

A

A

A

G

G

S

S

A

V

E

T

A

P

Y

C

A

L

C

C

H

D

I

V

G

T

D

D

M

S

D

A

Q

S

I

V

E

E

S

R

I

L

W

V

A

A

H

D

I

S

D

V

Q

A

T

R

H

C

G

G

K

R

L

V

D

D

I

I

L

L

V

V

N

N

A

V

A

G

A

A

N

P

P

S

Y

P

F

G

G

G

P

P

V

V

E

A

D

-

T

L

D

D

L

E

G

A

A

Q

F

W

N

A

K

M

T

Q

V

L

D

E

V

L

N

N

I

L

R

T

G

T

Y

A

F

F

F

L

M

M

C

C

A

K

R

Y

G

V

A

L

Q

P

M

V

M

M

K

E

K

Q

A

Q

G

G

S

A

I

I

V

V

N

N

V

I

A

A

S
|
S

V

T

N

S

G

G

V

I

N

R

-

W

P

T

G

G

H

A

Y

A

Q

Q

G

V

I

G

Y
|
Y

S

A

V

A

T

A

K
|
K

A

A

A

G

V

M

I

I

S

Q

M

M

T

G

K

R

S

V

F

V

A

A

M

V

E

E

L

Y

G

A

Q

A

Q

K

K

N

I

V

R

R

V

V

N

N

A

S

L

V

P

P

G

G

L

L

-

L

-

H

-

T

-
x
P

-
x
M

T

V

D

D

T

T

K

K

F

I

A

A

S

H

A

N

L

G

T

D

T

V

N

E

E

L

A

L

I

L

K

R

K

K

Q

R

A

-

M

Q

A

A

H

R

I

I

P

P

M

M

K

P

R

F

V

M

A

G

D

D

P

G

G

R

E

D

M

T

A

A

G

N

T

A

V

A

L

L

Y

F

L

L

V

A

S

S

D

D

A

E

S

A

S

R

Y

F

T

V

T

T

G

G

A

T

C

E

I

I

N

V

A

V

D

D

G

G

active site: G22 (= G22), S147 (= S148), Y161 (= Y161), K165 (= K165)
binding magnesium ion: P197 (vs. gap), M198 (vs. gap)

Q9S9W2 Short-chain dehydrogenase/reductase SDRA; Protein INDOLE-3-BUTYRIC ACID RESPONSE 1; Short-chain dehydrogenase/reductase A; EC 1.1.-.- from Arabidopsis thaliana (Mouse-ear cress) (see paper)
32% identity, 98% coverage: 1:252/256 of query aligns to 1:249/254 of Q9S9W2

query
sites
Q9S9W2

M

M

S

E

S

K

K

K

N

L

L

P

F

R

D

R

L

L

T

E

G

G

K

K

V

V

A

A

L

I

I

V

T

T

G

A

A

S

S

T

R

Q

G

G

I

I

G

G

E

F

S

G

I

I

A

T

R

E

T

R

L

F

A

G

E

L

Y

E

G

G

A

A

H

S

V

V

I

V

V

V

S

S

R
|
R

K

K

I

Q

D

A

G

N

C

V

E

D

A

E

V

A

A

V

S

A

S

K

I

L

R

K

D

S

A

K

G

G

G

I

S

D

A

A

E

Y

A

G

Y

I

A

V

C

C

H

H

I

V

G

S

D

N

M

A

D

Q

Q

H

I

R

E

R

S

N

I

L

W

V

A

E

H

K

I

T

D

V

Q

Q

T

K

H

Y

G

G

K

K

L

I

D

D

I

I

L

V

V

V

N

C

N

N

A

A

N

N

P

P

Y

S

F

T

G

D

P

P

V

I

E

L

D

S

T

S

D

K

L

E

G

A

A

V

F

L

N

D

K

K

T

L

V

W

D

E

V

I

N

N

I

V

R

K

G

S

Y

S

F

I

F

L

M

L

C

L

A

Q

R

D

G

M

A

A

Q

P

M

H

M

L

K

E

K

K

A

-

G

-

G

G

G

S

S
|
S

I

V

V

I

N

F

V

I

A

T

S

S

V

I

N

A

G

G

V

F

N

S

P

P

G

Q

H

G

Y

A

Q

M

G

A

I

M

Y

Y

S

G

V

V

T

T

K

K

A

T

A

A

V

L

I

L

S

G

M

L

T

T

K

K

S

A

F

L

A

A

M

A

E

E

L

M

G

A

Q

P

Q

D

K

-

I

T

R

R

V

V

N

N

A

A

L

V

L

A

P

P

G

G

L

F

T

V

D

P

T

T

K

H

F

F

A

A

S

S

A

F

L

I

T

T

T

G

N

S

E

S

A

E

I

V

K

R

K

E

Q

G

A

I

M

E

A

E

H

K

I

T

P

L

M

L

K

N

R

R

V

L

A

G

D

T

P

T

G

G

E

D

M

M

A

A

G

A

T

A

V

A

L

A

Y

F

L

L

V

A

S

S

D

D

A

D

S

S

Y

Y

T

I

T

T

G

G

A

E

C

T

I

L

N

V

A

V

D

A

G

G

R43 (= R43) mutation to C: In ibr1-1; resistance to the inhibitory effect of intermediate levels of indole-3-butyric acid (IBA) on root elongation.
S140 (= S142) mutation to F: In ibr1-8; resistance to the inhibitory effect of intermediate levels of indole-3-butyric acid (IBA) on root elongation.

8hsaA Brucella melitensis 7-alpha-hydroxysteroid dehydrogenase mutant: 1-53 truncation/m196i/i258m/k262t-NAD+
37% identity, 96% coverage: 7:252/256 of query aligns to 3:245/248 of 8hsaA

query
sites
8hsaA

F

F

D

H

L

L

T

N

G

D

K

A

V

V

A

A

L

I

I

V

T

T

G
|
G

A

A

S

A

R

A

G

G

I
|
I

G

G

E

R

S

A

I

I

A

A

R

G

T

T

L

F

A

A

E

K

Y

A

G

G

A

A

H

S

V

V

I

V

V

V

S

T

S
x
D

R
x
L

K

K

I

S

D

E

G

G

C

A

E

E

A

A

V

V

A

A

S

A

I

I

R

R

D

Q

A

A

G

G

S

K

A

A

E

I

A

G

Y

L

A

E

C
|
C

H
x
N

I
x
V

G

T

D

D

M

E

D

Q

Q

H

I

R

E

E

S

A

-

V

I

I

W

K

A

A

H

A

I

L

D

D

Q

Q

T

-

H

F

G

G

K

K

L

I

D

T

I

V

L

L

V

V

N

N

N
|
N

A
|
A

-
x
G

-

G

A

G

A

P

N

K

P

P

Y

F

F

D

G

M

P

P

V

M

E

S

D

D

T

-

D

-

L

-

G

-

A

-

F

F

N

E

K

W

T

A

V

F

D

K

V

L

N

N

I

L

R

F

G

S

Y

L

F

F

F

R

M

L

C

S

A

Q

R

L

G

A

A

A

Q

P

M

H

M

M

K

Q

K

K

A

A

G

G

S

A

I

I

V

L

N

N

V
x
I

A
x
S

S

S

V

I

N

A

G

G

V

E

N

N

P

T

G

N

H

V

Y

R

Q

M

G

A

I

S

Y
|
Y

S

G

V

S

T

S

K
|
K

A

A

V

V

I

N

S

H

M

L

T

T

K

R

S

N

F

I

A

A

M

F

E

D

L

V

G

G

Q

P

Q

M

K

G

I

I

R

R

V

V

N

N

A

A

L

I

L

A

P
|
P

G
|
G

L

A

T

M

D

K

T

T

K

D

F

A

A

L

S

A

A

T

L

V

T

L

T

T

N

P

E

E

A

-

I

I

K

E

K

R

Q

A

A

M

M

L

A

K

H

H

I

T

P

P

M

L

K

G

R

R

V

L

A

G

D

E

P

A

G

Q

E

D

M

I

A

A

G

N

T

A

V

A

L

L

Y

F

L

L

V

C

S

S

D

P

A

A

S

A

Y

W

T

I

T

S

G

G

A

Q

C

V

I

L

N

T

A

V

D

S

G

G

binding nicotinamide-adenine-dinucleotide: G14 (= G18), I19 (= I23), D38 (≠ S42), L39 (≠ R43), C63 (= C67), N64 (≠ H68), V65 (≠ I69), N91 (= N95), A92 (= A96), G93 (vs. gap), I140 (≠ V146), S141 (≠ A147), Y155 (= Y161), K159 (= K165), P185 (= P191), G186 (= G192)

G9FRD7 7alpha-hydroxysteroid dehydrogenase; 7alpha-HSDH; NADP-dependent 7alpha-hydroxysteroid dehydrogenase; EC 1.1.1.- from Clostridium sardiniense (Clostridium absonum) (see 2 papers)
33% identity, 96% coverage: 9:253/256 of query aligns to 4:249/262 of G9FRD7

query
sites
G9FRD7

L

L

T

E

G

G

K

K

V

V

A

A

L

I

I

V

T

T

G
x
S

A
x
S

S
x
T

R
|
R

G
|
G

I
|
I

G

G

E

R

S

A

I

S

A

A

R

E

T

A

L

L

A

A

E

K

Y

E

G

G

A

A

H

L

V

V

I

Y

V

L

S

A

R
|
R

K

S

I

E

D

E

G

L

C

A

E

N

A

E

V

V

A

I

S

A

S

D

I

I

R

K

D

K

A

Q

G

G

S

V

A

A

E

K

A

F

Y

V

A

Y

C

F

H
x
N

I
x
A

G

R

D

E

M

E

D

E

Q

T

I

Y

E

T

S

S

I

M

W

V

A

E

H

K

I

V

D

A

Q

E

T

A

H

E

G

G

K

R

L

I

D

D

I

I

L

L

V

V

N

N

N
|
N

A

Y

A

G

-

T

-

N

-

V

-

N

-

L

-

D

-

K

N

N

P

L

Y

T

F

A

G

G

P

-

V

-

E

-

D

D

T

T

D

D

L

-

G

-

A

E

F

F

N

F

K

R

T

I

V

L

D

K

V

D

N

N

I

V

R

Q

G

S

Y

V

F

Y

F

L

M

P

C

A

A

K

R

A

G

A

A

I

Q

P

M

H

M

M

K

E

K

K

A

V

G

G

S

S

I

I

V

V

N

N

V

I

A

S

S
x
T

V

I

N

G

G

S

V

V

N

V

P

P

G

D

H

I

Y

S

Q

R

G

I

I

A

Y
|
Y

S

C

V

V

T

S

K
|
K

A

S

A

A

V

I

I

N

S

S

M

L

T

T

K

Q

S

N

F

I

A

A

M

L

E

Q

L

Y

G

A

Q

R

Q

K

K

N

I

I

R

R

V

C

N

N

A

A

L

V

L

L

P

P

G

G

L

L

T
x
I

D
x
G

T
|
T

K
x
R

F
x
A

A

A

S

L

A

E

L

N

T

M

T

T

N

D

E

E

A

-

I

F

K

R

K

D

Q

S

A

F

M

L

A

G

H

H

I

V

P

P

M

L

K

N

R

R

V

V

A

G

D

R

P

P

G

E

E

D

M

I

A

A

G

N

T

A

V

V

L

L

Y

Y

L

Y

V

A

S

S

D

D

A

D

S

S

S

G

Y

Y

T

V

T

T

G

G

A

M

C

I

I

H

N

E

A

V

D

A

G

G

Y

F

SSTRGI 13:18 (≠ GASRGI 18:23) binding
R38 (= R43) binding ; mutation to D: Loss of catalytic activity.
NA 63:64 (≠ HI 68:69) binding
N90 (= N95) binding
T145 (≠ S148) binding
Y158 (= Y161) binding ; binding
K162 (= K165) binding
IGTRA 191:195 (≠ TDTKF 194:198) binding

Sites not aligning to the query:

261:262 mutation Missing: 5-fold reduction in catalytic efficiency.

3sj7A Structure of beta-ketoacetyl-coa reductase (fabg) from staphylococcus aureus complex with NADPH (see paper)
37% identity, 94% coverage: 12:252/256 of query aligns to 2:236/239 of 3sj7A

query
sites
3sj7A

K

K

V

S

A

A

L

L

I

V

T

T

G
|
G

A

A

S
|
S

R
|
R

G
|
G

I
|
I

G

G

E

R

S

S

I

I

A

A

R

L

T

Q

L

L

A

A

E

E

Y

E

G

G

A

Y

H

N

V

V

I

A

V

V

S
x
N

-
x
Y

S
x
A

R
x
G

K
x
S

I

K

D

E

G

K

C

A

E

E

A

A

V

V

A

V

S

E

I

I

R

K

D

A

A

K

G

G

G

V

S

D

A

S

E

F

A

A

Y

I

A

Q

C
x
A

H
x
N

I
x
V

G

A

D

D

M

A

D

D

Q

E

I

V

E

K

S

A

I

M

W

I

A

K

H

E

I

V

D

V

Q

S

T

Q

H

F

G

G

K

S

L

L

D

D

I

V

L

L

V

V

N

N

N
|
N

A
|
A

A

-

N

-

P

-

Y

-

F

-

G

G

P

I

V

T

E

R

D

D

T

N

D

L

L

L

-

M

-

R

-

M

-

K

-

E

G

Q

A

E

F

W

N

D

K

D

T

V

V

I

D

D

V
x
T

N

N

I

L

R

K

G

G

Y

V

F

F

F

N

M

C

C

I

A

Q

R

K

G

A

A

T

Q

P

M

Q

M

M

K

L

K

R

A

Q

G

R

G

S

G

G

S

A

I

I

V

I

N

N

V

L

A

S

S
|
S

V

V

N

V

G

G

V

A

-

V

-

G

N

N

P

P

G

G

H

-

Y

-

Q
|
Q

G

A

I

N

Y
|
Y

S

V

V

A

T

T

K
|
K

A

A

A

G

V

V

I

I

S

G

M

L

T

T

K

K

S

S

F

A

A

A

M

R

E

E

L

L

G

A

Q

S

Q

R

K

G

I

I

R

T

V

V

N

N

A

A

L

V

L

A

P
|
P

G
|
G

L

-

T

-

D

-

T

-

K

-

F

F

A

I

S

V

A

S

L

D

T

M

T

T

N

D

E

E

A

-

I

L

K

K

K

E

Q

Q

A

M

M

L

A

T

H

Q

I

I

P

P

M

L

K

A

R

R

V

F

A

G

D

Q

P

D

G

T

E

D

M

I

A

A

G

N

T

T

V

V

L

A

Y

F

L

L

V

A

S

S

D

D

A

K

S

A

S

K

Y

Y

T

I

T

T

G

G

A

Q

C

T

I

I

N

H

A

V

D

N

G

G

active site: G12 (= G22), S138 (= S148), Q148 (= Q158), Y151 (= Y161), K155 (= K165)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G8 (= G18), S10 (= S20), R11 (= R21), I13 (= I23), N31 (≠ S41), Y32 (vs. gap), A33 (≠ S42), G34 (≠ R43), S35 (≠ K44), A58 (≠ C67), N59 (≠ H68), V60 (≠ I69), N86 (= N95), A87 (= A96), T109 (≠ V119), S138 (= S148), Y151 (= Y161), K155 (= K165), P181 (= P191), G182 (= G192)

5epoA The three-dimensional structure of clostridium absonum 7alpha- hydroxysteroid dehydrogenase (see paper)
33% identity, 96% coverage: 9:253/256 of query aligns to 3:248/261 of 5epoA

query
sites
5epoA

L

L

T

E

G

G

K

K

V

V

A

A

L

I

I

V

T

T

G
x
S

A

S

S
x
T

R
|
R

G
|
G

I
|
I

G

G

E

R

S

A

I

S

A

A

R

E

T

A

L

L

A

A

E

K

Y

E

G

G

A

A

H

L

V

V

I

Y

V

L

S

A

R
|
R

K

S

I

E

D

E

G

L

C

A

E

N

A

E

V

V

A

I

S

A

S

D

I

I

R

K

D

K

A

Q

G

G

S

V

A

A

E

K

A

F

Y

V

A

Y

C
x
F

H
x
N

I

A

G

R

D

E

M

E

D

E

Q

T

I

Y

E

T

S

S

I

M

W

V

A

E

H

K

I

V

D

A

Q

E

T

A

H

E

G

G

K

R

L

I

D

D

I

I

L

L

V

V

N

N

N
|
N

A
x
Y

A
x
G

A

G

-
x
T

-

N

-

V

-

N

-

L

-

D

-

K

N

N

P

L

Y

T

F

A

G

G

P

-

V

-

E

-

D

D

T

T

D

D

L

-

G

-

A

E

F

F

N

F

K

R

T

I

V

L

D

K

V

D

N

N

I

V

R

Q

G

S

Y

V

F

Y

F

L

M

P

C

A

A

K

R

A

G

A

A

I

Q

P

M

H

M

M

K

E

K

K

A

V

G

G

S

S

I

I

V

V

N

N

V

I

A

S

S
x
T

V

I

N
x
G

G

S

V

V

N

V

P

P

G

D

H
x
I

Y

S

Q
x
R

G

I

I

A

Y
|
Y

S

C

V

V

T

S

K
|
K

A

S

A

A

V

I

I

N

S

S

M

L

T

T

K

Q

S

N

F

I

A

A

M

L

E

Q

L

Y

G

A

Q

R

Q

K

K

N

I

I

R

R

V

C

N

N

A

A

L

V

L

L

P
|
P

G
|
G

L

L

T
x
I

D

G

T
|
T

K
x
R

F
x
A

A
|
A

S

L

A

E

L
x
N

T
x
M

T

T

N

D

E

E

A

-

I
x
F

K

R

K

D

Q

S

A

F

M

L

A

G

H

H

I

V

P

P

M

L

K

N

R

R

V

V

A

G

D

R

P

P

G

E

E

D

M

I

A

A

G

N

T

A

V

V

L

L

Y

Y

L

Y

V

A

S

S

D

D

A

D

S

S

S

G

Y

Y

T

V

T

T

G

G

A

M

C

I

I

H

N

E

A

V

D

A

G

G

Y

F

active site: G16 (= G22), T144 (≠ S148), I152 (≠ H156), Y157 (= Y161), K161 (= K165), R193 (≠ K197)
binding nadp nicotinamide-adenine-dinucleotide phosphate: S12 (≠ G18), T14 (≠ S20), R15 (= R21), G16 (= G22), I17 (= I23), R37 (= R43), F61 (≠ C67), N62 (≠ H68), N89 (= N95), Y90 (≠ A96), G91 (≠ A97), Y157 (= Y161), K161 (= K165), P187 (= P191), G188 (= G192), I190 (≠ T194), T192 (= T196), R193 (≠ K197), A194 (≠ F198), A195 (= A199)
binding taurochenodeoxycholic acid: T93 (vs. gap), T144 (≠ S148), G146 (≠ N150), R154 (≠ Q158), Y157 (= Y161), G188 (= G192), N198 (≠ L202), M199 (≠ T203), F203 (≠ I208)

6zzqA Crystal structure of (r)-3-hydroxybutyrate dehydrogenase from acinetobacter baumannii complexed with NAD+ and acetoacetate (see paper)
33% identity, 96% coverage: 9:253/256 of query aligns to 4:257/260 of 6zzqA

query
sites
6zzqA

L

L

T

D

G

G

K

K

V

V

A

A

L

F

I

I

T

T

G
|
G

A

S

S

A

R
x
S

G
|
G

I
|
I

G

G

E

L

S

E

I

I

A

A

R

K

T

K

L

F

A

A

E

Q

Y

E

G

G

A

A

H

K

V

V

I

V

V

I

S

S

S
x
D

R
x
M

K

N

I

A

D

E

G

K

C

C

E

Q

A

E

V

T

A

A

S

N

S

S

I

L

R

K

D

E

A

Q

G

G

G

F

S

D

A

A

E

L

A

S

Y

A

A

P

C

C

H
x
D

I
x
V

G

T

D

D

M

E

D

D

Q

A

I

Y

E

K

S

Q

I

A

W

I

A

E

H

L

I

T

D

Q

Q

K

T

T

H

F

G

G

K

T

L

V

D

D

I

I

L

L

V

I

N

N

N
|
N

A
|
A

A
x
G

A

F

N
x
Q

P

-

Y

H

F

V

G

A

P

P

V

I

E

E

D

E

T

F

D

P

L

T

G

A

A

V

F

F

N

Q

K

K

T

L

V

V

D

Q

V

V

N

M

I

L

R

T

G

G

Y

A

F

F

F

I

M

G

C

I

A

K

R

H

G

V

A

L

Q

P

M

I

M

M

K

K

K

A

A

Q

G

K

G

Y

G

G

S

R

I

I

V

I

N

N

V
x
M

A
|
A

S
|
S

V

I

N

N

G

G

V

L

N

I

P

G

G

F

H

A

Y

G

Q
x
K

G

A

I

G

Y
|
Y

S

N

V

S

T

A

K
|
K

A

H

A

G

V

V

I

I

S

G

M

L

T

T

K

K

S

V

F

A

A

A

M

L

E

E

L

C

G

A

Q

R

Q

D

K

G

I

I

R

T

V

V

N

N

A

A

L

L

L

C

P

P

G

G

L
x
Y

T
x
V

D

D

T
|
T

K

P

F

L

A

V

S

R

A

G

-
x
Q

-

I

-

A

-

D

-

L

-

A

-

K

-

T

-

R

-

N

L

V

T

S

T

L

N

D

E

S

A

A

I

L

K

E

K

D

Q

V

A

I

M

L

A

A

H

M

I

V

P

P

M

Q

K

K

R

R

V

L

A

L

D

S

P

V

G

E

E

E

M

I

A

A

G

D

T

Y

V

A

L

I

Y

F

L

L

V

A

S

S

D

S

A

K

S

A

S

G

Y

G

T

V

T

T

G

G

A

Q

C

A

I

V

N

V

A

M

D

D

G

G

Y

Y

active site: G17 (= G22), S142 (= S148), Y155 (= Y161)
binding acetoacetic acid: Q94 (≠ N99), S142 (= S148), K152 (≠ Q158), Y155 (= Y161), Q196 (vs. gap)
binding nicotinamide-adenine-dinucleotide: G13 (= G18), S16 (≠ R21), G17 (= G22), I18 (= I23), D37 (≠ S42), M38 (≠ R43), D63 (≠ H68), V64 (≠ I69), N90 (= N95), A91 (= A96), G92 (≠ A97), M140 (≠ V146), A141 (= A147), S142 (= S148), Y155 (= Y161), K159 (= K165), Y187 (≠ L193), V188 (≠ T194), T190 (= T196)

6zzsD Crystal structure of (r)-3-hydroxybutyrate dehydrogenase from acinetobacter baumannii complexed with NAD+ and 3-oxovalerate (see paper)
33% identity, 96% coverage: 9:253/256 of query aligns to 5:258/261 of 6zzsD

query
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active site: G18 (= G22), S143 (= S148), Y156 (= Y161)
binding nicotinamide-adenine-dinucleotide: G14 (= G18), S17 (≠ R21), I19 (= I23), D38 (≠ S42), M39 (≠ R43), D64 (≠ H68), V65 (≠ I69), N91 (= N95), A92 (= A96), G93 (≠ A97), M141 (≠ V146), A142 (= A147), S143 (= S148), Y156 (= Y161), K160 (= K165), P186 (= P191), G187 (= G192), V189 (≠ T194), T191 (= T196), L193 (≠ F198)
binding 3-oxidanylidenepentanoic acid: Q95 (≠ N99), S143 (= S148), N145 (= N150), K153 (≠ Q158), Y156 (= Y161), Q197 (vs. gap)

Query Sequence

>GFF846 FitnessBrowser__Marino:GFF846
MSSKNLFDLTGKVALITGASRGIGESIARTLAEYGAHVIVSSRKIDGCEAVASSIRDAGG
SAEAYACHIGDMDQIESIWAHIDQTHGKLDILVNNAAANPYFGPVEDTDLGAFNKTVDVN
IRGYFFMCARGAQMMKKAGGGSIVNVASVNGVNPGHYQGIYSVTKAAVISMTKSFAMELG
QQKIRVNALLPGLTDTKFASALTTNEAIKKQAMAHIPMKRVADPGEMAGTVLYLVSDASS
YTTGACINADGGYLTV

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