SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_111392913.1 NCBI__GCF_003253485.1:WP_111392913.1 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)

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)
42% identity, 96% coverage: 9:252/255 of query aligns to 31:274/279 of Q8WNV7

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Q8WNV7

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37:61 (vs. 15:39, 48% identical) binding NADP(+)
F177 (≠ E155) 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 (= L158) 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 NADP(+)
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

2zatA Crystal structure of a mammalian reductase (see paper)
42% identity, 96% coverage: 9:252/255 of query aligns to 3:246/251 of 2zatA

query
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2zatA

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active site: G16 (= G22), S142 (= S148), L152 (= L158), Y155 (= Y161), K159 (= K165), K200 (≠ E206)
binding nadp nicotinamide-adenine-dinucleotide phosphate: A12 (≠ G18), T14 (≠ S20), D15 (≠ K21), G16 (= G22), I17 (= I23), S36 (= S42), R37 (= R43), K38 (= K44), N41 (≠ A47), H62 (≠ N68), N89 (= N95), A91 (= A97), V140 (≠ I146), S142 (= S148), Y155 (= Y161), K159 (= K165), P185 (= P191), G186 (= G192), I188 (= I194), T190 (= T196), F192 (= F198), S193 (= S199)

3o4rA Crystal structure of human dehydrogenase/reductase (sdr family) member 4 (dhrs4)
42% identity, 96% coverage: 9:252/255 of query aligns to 6:249/254 of 3o4rA

query
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3o4rA

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active site: G19 (= G22), S145 (= S148), F155 (≠ L158), Y158 (= Y161), K162 (= K165), K203 (≠ E206)
binding nadp nicotinamide-adenine-dinucleotide phosphate: A15 (≠ G18), T17 (≠ S20), D18 (≠ K21), G19 (= G22), I20 (= I23), S39 (= S42), R40 (= R43), K41 (= K44), N44 (≠ A47), H65 (≠ N68), V66 (= V69), N92 (= N95), A94 (= A97), S145 (= S148), Y158 (= Y161), K162 (= K165), P188 (= P191), G189 (= G192), L190 (= L193), I191 (= I194), T193 (= T196), F195 (= F198), S196 (= S199)

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)
42% identity, 96% coverage: 9:252/255 of query aligns to 30:273/278 of Q9BTZ2

query
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Q9BTZ2

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S176 (≠ E155) 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 (≠ L158) 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.

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)
44% identity, 96% coverage: 9:253/255 of query aligns to 9:250/254 of Q9S9W2

query
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Q9S9W2

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E

A

K

K

L

L

R

K

S

S

K

K

G

G

Y

I

V

D

G

A

S

Y

G

G

I

I

A

V

C

C

N

H

V

V

G

S

N

N

M

A

D

Q

E

H

L

R

P

R

A

N

L

L

V

V

E

E

K

K

T

T

V

V

A

Q

L

K

Y

Y

G

G

T

K

I

I

D

D

I

I

L

V

V

V

N

C

N

N

A

A

T

A

N

N

P

P

V

S

F

T

G

D

P

P

V

I

H

L

E

S

T

S

S

K

L

E

E

A

A

V

F

L

D

D

K

K

I

L

M

W

N

E

V

I

N

N

V

V

K

K

A

S

F

I

E

L

L

L

C

L

R

Q

L

D

C

M

Y

A

P

P

H

H

L

L

R

E

K

K

S

-

G

G

A

S

S
|
S

V

V

I

I

N

F

I

I

S

T

S

S

I

I

G

A

G

G

I

F

S

S

P

P

E

Q

H

G

G

A

L

M

G

A

I

M

Y

Y

S

G

V

V

S

T

K

K

A

T

A

A

L

L

I

L

S

G

L

L

T

T

K

K

V

A

F

L

A

A

K

A

E

E

W

M

G

A

D

-

S

P

K

D

I

T

R

R

V

V

N

N

A

A

I

V

C

A

P

P

G

G

L

F

I

V

Q

P

T

T

K

H

F

F

S

A

E

S

A

F

L

I

W

T

T

G

N

S

E

S

K

E

I

V

M

R

S

E

M

G

I

I

M

E

K

E

Q

K

L

T

A

L

I

L

K

N

R

R

A

L

G

G

T

T

S

T

E

G

E

D

I

M

G

A

A

A

M

A

A

A

L

A

F

F

L

L

A

A

S

S

S

D

A

D

S

S

Y

Y

T

I

T

T

G

G

G

E

V

T

F

L

T

V

A

V

D

A

G

G

F

M

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.

5ojiA Crystal structure of the dehydrogenase/reductase sdr family member 4 (dhrs4) from caenorhabditis elegans (see paper)
39% identity, 98% coverage: 4:252/255 of query aligns to 3:255/260 of 5ojiA

query
sites
5ojiA

S

S

S

N

V

C

F

R

S

R

L

F

E

E

G

G

K

K

V

V

A

A

L

I

I

V

T

T

G
x
A

A

A

S
x
T

K

K

G
|
G

I
|
I

G

G

F

L

S

A

I

I

A

A

E

E

I

R

F

L

A

L

A

D

A

E

G

G

A

A

K

S

V

V

I

I

S

G

S
|
S

R
|
R

K
x
N

Q

Q

D

K

A
x
N

L

V

D

D

G

E

M

A

A

I

E

E

K

Y

L

L

R

K

S

N

K

K

G

G

Y

L

V

T

G

K

-

V

S

A

G

G

I

I

A

A

C

G

N

H

V
x
I

G

A

N

S

M

T

D

D

E

D

L

Q

P

K

A

K

L

L

V

V

E

D

K

F

T

T

V

L

A

Q

L

K

Y

F

G

G

T

K

I

I

D

N

I

I

L

L

V

V

N

N

N
|
N

A
x
H

A
x
G

T

I

N

N

P

P

V

A

F

F

G

G

P

H

V

I

H

L

E

E

T

V

S

S

L

D

E

Q

A

V

F

W

D

D

K

K

I

L

M

F

N

E

V

V

N

N

V

V

K

K

A

A

A

G

F

F

E

Q

L

M

C

T

R

K

L

L

C

V

Y

H

P

P

H

H

L

I

R

A

K

K

S

E

S

G

G

G

A

G

S

A

V

I

I

I

N

F

I
x
N

S

A

S
|
S

I

Y

G
x
S

G

A

I

Y

S

K

P

S

E

P

H

P

G

G

L

I

G

A

I

A

Y
|
Y

S

G

V

V

S

T

K
|
K

A

T

L

L

I

V

S

G

L

L

T

T

K

R

V

A

F

L

A

A

K

M

E

G

W

L

G

A

D

K

S

D

K

N

I

I

R

R

V

V

N

N

A

G

I

I

C

A

P

P

G
|
G

L
x
V

I
|
I

Q

K

T
|
T

K

K

F
x
M

S
|
S

E

Q

A

V

L
|
L

W

W

T

D

N

G

-

G

-

E

-

D

-

A

E

E

K

K

I

E

M

L

S

T

M

D

I

I

M

-

K

Q

Q

E

L

I

A

A

I

L

K

G

R

R

A

L

G

G

T

V

S

P

E

D

I

C

G

A

A

G

M

T

A

V

L

A

F

Y

L

L

A

A

S

S

S

D

A

D

S

S

Y

Y

T

I

T

T

G

G

G

E

V

M

F

I

T

I

A

I

D

A

G

G

active site: G21 (= G22), S148 (= S148), Y161 (= Y161), K165 (= K165)
binding isatin: S148 (= S148), S150 (≠ G150), Y161 (= Y161), V193 (≠ L193), S199 (= S199), L202 (= L202)
binding nadp nicotinamide-adenine-dinucleotide phosphate: A17 (≠ G18), T19 (≠ S20), I22 (= I23), S41 (= S42), R42 (= R43), N43 (≠ K44), N46 (≠ A47), I69 (≠ V69), N95 (= N95), H96 (≠ A96), G97 (≠ A97), N146 (≠ I146), S148 (= S148), Y161 (= Y161), K165 (= K165), G192 (= G192), I194 (= I194), T196 (= T196), M198 (≠ F198)

5ojgA Crystal structure of the dehydrogenase/reductase sdr family member 4 (dhrs4) from caenorhabditis elegans (see paper)
39% identity, 98% coverage: 4:252/255 of query aligns to 3:255/260 of 5ojgA

query
sites
5ojgA

S

S

S

N

V

C

F

R

S

R

L

F

E

E

G

G

K

K

V

V

A

A

L

I

I

V

T

T

G
x
A

A

A

S
x
T

K

K

G
|
G

I
|
I

G

G

F

L

S

A

I

I

A

A

E

E

I

R

F

L

A

L

A

D

A

E

G

G

A

A

K

S

V

V

I

I

S

G

S
|
S

R
|
R

K
x
N

Q

Q

D

K

A
x
N

L

V

D

D

G

E

M

A

A

I

E

E

K

Y

L

L

R

K

S

N

K

K

G

G

Y

L

V

T

G

K

-

V

S

A

G

G

I

I

A

A

C

G

N

H

V
x
I

G

A

N

S

M

T

D

D

E

D

L

Q

P

K

A

K

L

L

V

V

E

D

K

F

T

T

V

L

A

Q

L

K

Y

F

G

G

T

K

I

I

D

N

I

I

L

L

V

V

N

N

N
|
N

A
x
H

A
x
G

T

I

N

N

P

P

V

A

F

F

G

G

P

H

V

I

H

L

E

E

T

V

S

S

L

D

E

Q

A

V

F

W

D

D

K

K

I

L

M

F

N

E

V

V

N

N

V

V

K

K

A

A

A

G

F

F

E

Q

L

M

C

T

R

K

L

L

C

V

Y

H

P

P

H

H

L

I

R

A

K

K

S

E

S

G

G

G

A

G

S

A

V

I

I

I

N

F

I
x
N

S

A

S
|
S

I

Y

G

S

G

A

I

Y

S

K

P

S

E

P

H

P

G

G

L

I

G

A

I

A

Y
|
Y

S

G

V

V

S

T

K
|
K

A

T

L

L

I

V

S

G

L

L

T

T

K

R

V

A

F

L

A

A

K

M

E

G

W

L

G

A

D

K

S

D

K

N

I

I

R

R

V

V

N

N

A

G

I

I

C

A

P
|
P

G

G

L

V

I
|
I

Q

K

T
|
T

K

K

F
x
M

S

S

E

Q

A

V

L

L

W

W

T

D

N

G

-

G

-

E

-

D

-

A

E

E

K

K

I

E

M

L

S

T

M

D

I

I

M

-

K

Q

Q

E

L

I

A

A

I

L

K

G

R

R

A

L

G

G

T

V

S

P

E

D

I

C

G

A

A

G

M

T

A

V

L

A

F

Y

L

L

A

A

S

S

S

D

A

D

S

S

Y

Y

T

I

T

T

G

G

G

E

V

M

F

I

T

I

A

I

D

A

G

G

active site: G21 (= G22), S148 (= S148), Y161 (= Y161), K165 (= K165)
binding butane-2,3-dione: S148 (= S148), Y161 (= Y161)
binding nadp nicotinamide-adenine-dinucleotide phosphate: A17 (≠ G18), T19 (≠ S20), G21 (= G22), I22 (= I23), S41 (= S42), R42 (= R43), N43 (≠ K44), N46 (≠ A47), I69 (≠ V69), N95 (= N95), H96 (≠ A96), G97 (≠ A97), N146 (≠ I146), S148 (= S148), Y161 (= Y161), K165 (= K165), P191 (= P191), I194 (= I194), T196 (= T196), M198 (≠ F198)

1vl8B Crystal structure of gluconate 5-dehydrogenase (tm0441) from thermotoga maritima at 2.07 a resolution
37% identity, 98% coverage: 6:254/255 of query aligns to 1:250/252 of 1vl8B

query
sites
1vl8B

V

V

F

F

S

D

L

L

E

R

G

G

K

R

V

V

A

A

L

L

I

V

T

T

G
|
G

A

G

S

S

K
x
R

G
|
G

I
x
L

G

G

F

F

S

G

I

I

A

A

E

Q

I

G

F

L

A

A

A

E

A

A

G

G

A

C

K

S

V

V

I

V

S

A

S
|
S

R
|
R

K

N

Q

L

D

E

A

E

L

A

D

S

G

E

M

A

A

A

E

Q

K

K

L

L

R

T

S

E

K

K

-

Y

G

G

Y

V

V

E

G

T

S

M

G

A

I

F

A

R

C
|
C

N
x
D

V
|
V

G

S

N

N

M

Y

D

E

E

E

L

V

P

K

A

K

L

L

V

L

E

E

K

A

T

V

V

K

A

E

L

K

Y

F

G

G

T

K

I

L

D

D

I

T

L

V

V

V

N

N

N
x
A

A
|
A

A
x
G

T
x
I

N

N

P

R

V

R

F

H

G

-

P

P

V

A

H

E

E

E

T

F

S

P

L

L

E

D

A

E

F

F

D

R

K

Q

I

V

M

I

N

E

V
|
V

N

N

V

L

K

F

A

G

A

T

F

Y

E

Y

L

V

C

C

R

R

L

E

C

A

Y

F

P

S

H

L

L

L

R

R

K

E

S

S

S

D

G

N

A

P

S

S

V

I

I

I

N

N

I
|
I

S

-

I

-

G

G

G
x
S

I

L

S

T

P

V

E

E

H

E

-

V

-

T

-

M

-

P

G

N

L
x
I

G

S

I

A

Y
|
Y

S

A

V

A

S

S

K
|
K

A

G

L

V

I

A

S

S

L

L

T

T

K

K

V

A

F

L

A

A

K

K

E

E

W

W

G

G

D

R

S

Y

K

G

I

I

R

R

V

V

N

N

A

V

I

I

C

A

P
|
P

G
|
G

L

W

I
x
Y

Q

R

T
|
T

K

K

F
x
M

S
x
T

E

E

A

A

L

V

W

F

T

S

N

D

E

P

K

E

I

K

M

L

S

D

M

Y

I

M

M

L

K

K

Q

R

L

I

A

P

I

L

K

G

R

R

A

T

G

G

T

V

S

P

E

E

E

D

I

L

G

K

A

G

M

V

A

A

L

V

F

F

L

L

A

A

S

S

S

E

A

E

S

A

S

K

Y

Y

T

V

T

T

G

G

G

Q

V

I

F

I

T

F

A

V

D

D

G

G

F

W

T

T

active site: G17 (= G22), S143 (≠ G151), I154 (≠ L158), Y157 (= Y161), K161 (= K165)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G18), R16 (≠ K21), G17 (= G22), L18 (≠ I23), S37 (= S42), R38 (= R43), C63 (= C67), D64 (≠ N68), V65 (= V69), A91 (≠ N95), A92 (= A96), G93 (≠ A97), I94 (≠ T98), V114 (= V119), I141 (= I146), S143 (≠ G151), Y157 (= Y161), K161 (= K165), P187 (= P191), G188 (= G192), Y190 (≠ I194), T192 (= T196), M194 (≠ F198), T195 (≠ S199)

P50162 Tropinone reductase 1; Tropine dehydrogenase; Tropinone reductase I; TR-I; EC 1.1.1.206 from Datura stramonium (Jimsonweed) (Common thornapple) (see paper)
38% identity, 97% coverage: 7:254/255 of query aligns to 17:268/273 of P50162

query
sites
P50162

F

W

S

S

L

L

E

K

G

G

K

T

V

T

A

A

L
|
L

I
x
V

T
|
T

G
|
G

A
x
G

S
|
S

K
|
K

G
|
G

I
|
I

G
|
G

F
x
Y

S
x
A

I
|
I

A
x
V

E
|
E

I
x
E

F
x
L

A
|
A

A
x
G

A
x
L

G
|
G

A
|
A

K
x
R

V
|
V

V
x
Y

I

T

S

C

S

S

R

R

K

N

Q

E

D

K

A

E

L

L

D

D

G

E

M

C

A

L

E

E

K

I

L

W

R

R

S

E

K

K

G

G

Y

L

V

N

G

V

S

E

G

G

I

S

A

V

C

C

N

D

V

L

G

L

N

S

M

R

D

T

E

E

L

R

P

D

A

K

L

L

V

M

E

Q

K

T

T

V

V

A

A

H

L

V

Y

F

-

D

G

G

T

K

I

L

D

N

I

I

L

L

V

V

N

N

A

A

A

G

T

V

N

-

P

V

V

I

F

H

G

K

P

E

V

A

H

K

E

D

T

F

S

T

L

E

E

K

A

D

F

Y

D

N

K

I

I

I

M

M

N

G

V

T

N

N

V

F

K

E

A

A

F

Y

E

H

L

L

C

S

R

Q

L

I

C

A

Y

Y

P

P

H

L

L

L

R

K

K

A

S

S

S

Q

G

N

A

G

S

N

V

V

I

I

N

F

I

L

S

S

S
|
S

I

I

G

A

G

G

I

F

S

S

P

A

E

L

H

P

G

S

L

V

G

S

I

L

Y
|
Y

S

S

V

A

S

S

K

K

A

G

A

A

L

I

I

N

S

Q

L

M

T

T

K

K

V

S

F

L

A

A

K

C

E

E

W

W

G

A

D

K

S

D

K

N

I

I

R

R

V

V

N

N

A

S

I

V

C

A

P

P

G

G

L

V

I

I

Q

L

T

T

K

P

F

L

S

V

E

E

-

T

A

A

L

I

W

K

T

K

N

N

-

P

-

H

-

Q

-

K

E

E

K

E

I

I

M

D

S

N

M

F

I

I

M

V

K

K

Q

T

L

-

A

P

I

M

K

G

R

R

A

A

G

G

T

K

S

P

E

Q

E

E

I

V

G

S

A

A

M

L

A

I

L

A

F

F

L

L

A

C

S

F

S

P

A

A

S

A

S

S

Y

Y

T

I

T

T

G

G

G

Q

V

I

F

I

T

W

A

A

D

D

G

G

F

F

T

T

25:49 (vs. 15:39, 56% identical) binding NADP(+)
S158 (= S148) binding substrate
Y171 (= Y161) active site, Proton acceptor

1ae1B Tropinone reductase-i complex with NADP (see paper)
38% identity, 97% coverage: 7:254/255 of query aligns to 2:253/258 of 1ae1B

query
sites
1ae1B

F

W

S

S

L

L

E

K

G

G

K

T

V

T

A

A

L

L

I

V

T

T

G
|
G

A

G

S
|
S

K
|
K

G
|
G

I
|
I

G

G

F

Y

S

A

I

I

A

V

E

E

I

E

F

L

A

A

A

G

A

L

G

G

A

A

K

R

V

V

V

Y

I

T

S

C

S
|
S

R
|
R

K

N

Q

E

D

K

A

E

L

L

D

D

G

E

M

C

A

L

E

E

K

I

L

W

R

R

S

E

K

K

G

G

Y

L

V

N

G

V

S

E

G

G

I

S

A

V

C
|
C

N
x
D

V
x
L

G

L

N

S

M

R

D

T

E

E

L

R

P

D

A

K

L

L

V

M

E

Q

K

T

T

V

V

A

A

H

L

V

Y

F

-

D

G

G

T

K

I

L

D

N

I

I

L

L

V

V

N

N

N
|
N

A
|
A

A

G

T

V

N

-

P

V

V

I

F

H

G

K

P

E

V

A

H

K

E

D

T

F

S

T

L

E

E

K

A

D

F

Y

D

N

K

I

I

I

M

M

N

G

V

T

N

N

V

F

K

E

A

A

F

Y

E

H

L

L

C

S

R

Q

L

I

C

A

Y

Y

P

P

H

L

L

L

R

K

K

A

S

S

S

Q

G

N

A

G

S

N

V

V

I

I

N

F

I

L

S

S

S
|
S

I

I

G

A

G

G

I

F

S

S

P

A

E

L

H

P

G

S

L
x
V

G

S

I

L

Y
|
Y

S

S

V

A

S

S

K
|
K

A

G

A

A

L

I

I

N

S

Q

L

M

T

T

K

K

V

S

F

L

A

A

K

C

E

E

W

W

G

A

D

K

S

D

K

N

I

I

R

R

V

V

N

N

A

S

I

V

C

A

P
|
P

G

G

L

V

I
|
I

Q

L

T
|
T

K

P

F
x
L

S
x
V

E

E

-

T

A

A

L

I

W

K

T

K

N

N

-

P

-

H

-

Q

-

K

E

E

K

E

I

I

M

D

S

N

M

F

I

I

M

V

K

K

Q

T

L

-

A

P

I

M

K

G

R

R

A

A

G

G

T

K

S

P

E

Q

E

E

I

V

G

S

A

A

M

L

A

I

L

A

F

F

L

L

A

C

S

F

S

P

A

A

S

A

S

S

Y

Y

T

I

T

T

G

G

G

Q

V

I

F

I

T

W

A

A

D

D

G

G

F

F

T

T

active site: G17 (= G22), S143 (= S148), V153 (≠ L158), Y156 (= Y161), K160 (= K165)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G18), S15 (= S20), K16 (= K21), G17 (= G22), I18 (= I23), S37 (= S42), R38 (= R43), C62 (= C67), D63 (≠ N68), L64 (≠ V69), N91 (= N95), A92 (= A96), S143 (= S148), Y156 (= Y161), K160 (= K165), P186 (= P191), I189 (= I194), T191 (= T196), L193 (≠ F198), V194 (≠ S199)

6ixmC Crystal structure of the ketone reductase chkred20 from the genome of chryseobacterium sp. Ca49 complexed with NAD (see paper)
35% identity, 96% coverage: 9:254/255 of query aligns to 3:246/248 of 6ixmC

query
sites
6ixmC

L

L

E

D

G

N

K

K

V

V

A

A

L

L

I

V

T

T

G
|
G

A

A

S

G

K
x
S

G
|
G

I
|
I

G

G

F

L

S

A

I

V

A

A

E

H

I

S

F

Y

A

A

A

K

A

E

G

G

A

A

K

K

V

V

V

I

I

V

S

S

S
x
D

R
x
I

K

N

Q

E

D

D

A

H

L

G

D

N

G

K

M

A

A

V

E

E

K

D

L

I

R

K

S

A

K

Q

G

G

Y

G

V

E

G

A

S

S

G

F

I

V

A

K

C
x
A

N
x
D

V
x
T

G

S

N

N

M

P

D

E

E

E

L

V

P

E

A

A

L

L

V

V

E

K

K

R

T

T

V

V

A

E

L

I

Y

Y

G

G

T

R

I

L

D

D

I

I

L

A

V

C

N

N

N
|
N

A
|
A

A

G

T

I

N

G

P

G

V

E

F

Q

G

A

P

L

V

A

H

G

E

D

T

Y

S

G

L

L

E

D

A

S

F

W

D

R

K

K

I

V

M

L

N

S

V

I

N

N

V

L

K

D

A

G

A

V

F

F

E

Y

L

G

C

C

R

K

L

Y

C

E

Y

L

P

E

H

Q

L

M

R

E

K

K

S

N

S

G

G

G

A

G

S

V

V

I

I

V

N

N

I
x
M

S

A

S
|
S

I

I

G

H

G

G

I

I

S

V

P

A

E

A

H

P

G

L

L

S

G

S

I

A

Y
|
Y

S

T

V

S

S

A

K
|
K

A

H

A

A

L

V

I

V

S

G

L

L

T

T

K

K

V

N

F

I

A

G

K

A

E

E

W

Y

G

G

D

Q

S

K

K

N

I

I

R

R

V

C

N

N

A

A

I

V

C

G

P
|
P

G
x
A

L
x
Y

I
|
I

Q

E

T

T

K

P

F
x
L

S

L

E

E

A

S

L

L

W

-

T

T

N

K

E

E

K

M

I

K

M

E

S

A

M

L

I

I

M

S

K

K

Q

H

L

-

A

P

I

M

K

G

R

R

A

L

G

G

T

K

S

P

E

E

I

V

G

A

A

E

M

L

A

V

L

L

F

F

L

L

A

S

S

S

S

E

A

K

S

S

Y

F

T

M

T

T

G

G

V

Y

F

Y

T

L

A

V

D

D

G

G

F

Y

T

T

active site: G16 (= G22), S142 (= S148), Y155 (= Y161), K159 (= K165)
binding nicotinamide-adenine-dinucleotide: G12 (= G18), S15 (≠ K21), G16 (= G22), I17 (= I23), D36 (≠ S42), I37 (≠ R43), A61 (≠ C67), D62 (≠ N68), T63 (≠ V69), N89 (= N95), A90 (= A96), M140 (≠ I146), S142 (= S148), Y155 (= Y161), K159 (= K165), P185 (= P191), A186 (≠ G192), Y187 (≠ L193), I188 (= I194), L192 (≠ F198)

5fffA Noroxomaritidine/norcraugsodine reductase in complex with NADP+ and piperonal (see paper)
35% identity, 100% coverage: 1:255/255 of query aligns to 1:255/257 of 5fffA

query
sites
5fffA

M

M

D

S

L

L

S

E

S

K

V

R

F

W

S

S

L

L

E

E

G

G

K

T

V

T

A

A

L

L

I

V

T

T

G
|
G

A

G

S
x
T

K

K

G
|
G

I
|
I

G

G

F

H

S

A

I

I

A

V

E

E

I

E

F

L

A

V

A

G

A

F

G

G

A

A

K

R

V

V

V

Y

I

T

S

C

S

S

R
|
R

K

N

Q

E

D

A

A

E

L

L

D

R

G

K

M

C

A

L

E

Q

K

E

L

W

R

E

S

N

K

L

G

K

Y

Y

V

D

G

V

S

T

G

G

I

S

A

V

C
|
C

N
x
D

V
|
V

G

S

N

S

M

R

D

T

E

E

L

R

P

E

A

K

L

L

V

A

E

E

K

E

T

V

V

S

A

S

L

V

Y

F

-

N

G

G

T

K

I

L

D

N

I

I

L

L

V

I

N

N

N
|
N

A

A

A

G

T

-

N

G

P
x
Y

V

V

F

N

G

K

P

P

V

I

H

D

E

G

T

F

S

T

L

A

E

E

A

D

F

F

D

S

K

F

I

L

M

V

N

A

V

V

N

N

V

L

K

E

A

S

A

A

F

F

E

H

L

L

C

C

R

Q

L

L

C

A

Y

H

P

P

H

M

L

L

R

K

K

A

S

S

S

G

G

T

A

G

S

S

V

I

I

V

N

H

I
|
I

S

S

I

C

G

C

G

A

I

Q

S

I

P

A

E

I

H

P

G

G

L
x
H

G

S

I

I

Y
|
Y

S

S

V

S

S

T

K
|
K

A

G

A

A

L

I

I

N

S

Q

L

L

T

T

K

R

V

N

F

L

A

A

K

C

E

E

W

W

G

A

D

K

S

D

K

N

I

I

R

R

V

T

N

N

A

S

I

I

C

A

P
|
P

G

G

L
x
A

I
|
I

Q

R

T
|
T

K

P

F
x
G

S
x
T

E

E

A

S

L

F

W

V

T

I

N

D

E
x
K

K

D

I

A

M

L

S

D

M

R

I

E

M

V

K

S

Q

R

L

V

A

P

I

F

K

G

R

R

A

I

G

G

T

E

S

P

E

E

I

V

G

A

A

S

M

L

A

A

L

A

F

F

L

L

A

C

S

M

S

P

A

S

S

A

S

S

Y

Y

T

I

T

T

G

G

G

Q

V

V

F

I

T

C

A

V

D

D

G

G

F

R

T

T

I

I

active site: K206 (≠ E206)
binding 1,3-benzodioxole-5-carbaldehyde: Y100 (≠ P100), H158 (≠ L158)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G18 (= G18), T20 (≠ S20), G22 (= G22), I23 (= I23), R43 (= R43), C67 (= C67), D68 (≠ N68), V69 (= V69), N96 (= N95), I146 (= I146), Y161 (= Y161), K165 (= K165), P191 (= P191), A193 (≠ L193), I194 (= I194), T196 (= T196), G198 (≠ F198), T199 (≠ S199)

5ff9B Noroxomaritidine/norcraugsodine reductase in complex with NADP+ and tyramine (see paper)
35% identity, 100% coverage: 1:255/255 of query aligns to 1:255/257 of 5ff9B

query
sites
5ff9B

M

M

D

S

L

L

S

E

S

K

V

R

F

W

S

S

L

L

E

E

G

G

K

T

V

T

A

A

L

L

I

V

T

T

G
|
G

A

G

S
x
T

K
|
K

G

G

I
|
I

G

G

F

H

S

A

I

I

A

V

E

E

I

E

F

L

A

V

A

G

A

F

G

G

A

A

K

R

V

V

V

Y

I

T

S

C

S
|
S

R
|
R

K

N

Q

E

D

A

A

E

L

L

D

R

G

K

M

C

A

L

E

Q

K

E

L

W

R

E

S

N

K

L

G

K

Y

Y

V

D

G

V

S

T

G

G

I

S

A

V

C
|
C

N
x
D

V
|
V

G

S

N

S

M

R

D

T

E

E

L

R

P

E

A

K

L

L

V

A

E

E

K

E

T

V

V

S

A

S

L

V

Y

F

-

N

G

G

T

K

I

L

D

N

I

I

L

L

V

I

N

N

N
|
N

A

A

A

G

T

-

N

G

P
x
Y

V

V

F

N

G

K

P

P

V

I

H

D

E

G

T

F

S

T

L

A

E

E

A

D

F

F

D

S

K

F

I

L

M

V

N

A

V

V

N

N

V

L

K

E

A

S

A

A

F

F

E

H

L

L

C

C

R

Q

L

L

C

A

Y

H

P

P

H

M

L

L

R

K

K

A

S

S

S

G

G

T

A

G

S

S

V

I

I

V

N

H

I
|
I

S

S

S
|
S

I

C

G

C

G

A

I

Q

S

I

P

A

E
x
I

H

P

G

G

L
x
H

G

S

I

I

Y
|
Y

S

S

V

S

S

T

K
|
K

A

G

A

A

L

I

I

N

S

Q

L

L

T

T

K

R

V

N

F

L

A

A

K

C

E

E

W

W

G

A

D

K

S

D

K

N

I

I

R

R

V

T

N

N

A

S

I

I

C

A

P
|
P

G

G

L
x
A

I
|
I

Q

R

T
|
T

K

P

F
x
G

S
x
T

E

E

A

S

L

F

W

V

T

I

N

D

E
x
K

K

D

I

A

M

L

S

D

M

R

I

E

M

V

K

S

Q

R

L

V

A

P

I

F

K

G

R

R

A

I

G

G

T

E

S

P

E

E

I

V

G

A

A

S

M

L

A

A

L

A

F

F

L

L

A

C

S

M

S

P

A

S

S

A

S

S

Y

Y

T

I

T

T

G

G

G

Q

V

V

F

I

T

C

A

V

D

D

G

G

F

R

T

T

I

I

active site: K206 (≠ E206)
binding 4-(2-aminoethyl)phenol: Y100 (≠ P100), I155 (≠ E155), H158 (≠ L158)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G18 (= G18), T20 (≠ S20), K21 (= K21), I23 (= I23), S42 (= S42), R43 (= R43), C67 (= C67), D68 (≠ N68), V69 (= V69), N96 (= N95), I146 (= I146), S148 (= S148), Y161 (= Y161), K165 (= K165), P191 (= P191), A193 (≠ L193), I194 (= I194), T196 (= T196), G198 (≠ F198), T199 (≠ S199)

A0A1A9TAK5 Noroxomaritidine/norcraugsodine reductase; NorRed; EC 1.1.1.- from Narcissus pseudonarcissus (Daffodil) (see paper)
35% identity, 100% coverage: 1:255/255 of query aligns to 1:255/257 of A0A1A9TAK5

query
sites
A0A1A9TAK5

M

M

D

S

L

L

S

E

S

K

V

R

F

W

S

S

L

L

E

E

G

G

K

T

V

T

A

A

L

L

I

V

T

T

G

G

A

G

S
x
T

K
|
K

G
|
G

I
|
I

G

G

F

H

S

A

I

I

A

V

E

E

I

E

F

L

A

V

A

G

A

F

G

G

A

A

K

R

V

V

V

Y

I

T

S

C

S
|
S

R
|
R

K

N

Q

E

D

A

A

E

L

L

D

R

G

K

M

C

A

L

E

Q

K

E

L

W

R

E

S

N

K

L

G

K

Y

Y

V

D

G

V

S

T

G

G

I

S

A

V

C

C

N
x
D

V
|
V

G

S

N

S

M

R

D

T

E

E

L

R

P

E

A

K

L

L

V

A

E

E

K

E

T

V

V

S

A

S

L

V

Y

F

-

N

G

G

T

K

I

L

D

N

I

I

L

L

V

I

N

N

N
|
N

A
|
A

A
x
G

T

-

N

G

P
x
Y

V

V

F

N

G

K

P

P

V

I

H

D

E

G

T

F

S

T

L

A

E

E

A

D

F

F

D

S

K

F

I

L

M

V

N

A

V

V

N

N

V

L

K

E

A

S

A

A

F

F

E

H

L

L

C

C

R

Q

L

L

C

A

Y

H

P

P

H

M

L

L

R

K

K

A

S

S

S

G

G

T

A

G

S

S

V

I

I

V

N

H

I

I

S

S

I
x
C

G

C

G

A

I

Q

S

I

P

A

E

I

H

P

G

G

L

H

G

S

I

I

Y
|
Y

S

S

V

S

S

T

K
|
K

A

G

A

A

L

I

I

N

S

Q

L

L

T

T

K

R

V

N

F

L

A

A

K

C

E

E

W

W

G

A

D

K

S

D

K

N

I

I

R

R

V

T

N

N

A

S

I

I

C

A

P

P

G

G

L

A

I
|
I

Q
x
R

T
|
T

K
x
P

F
x
G

S
x
T

E

E

A

S

L

F

W

V

T

I

N

D

E

K

K

D

I

A

M

L

S

D

M

R

I

E

M

V

K

S

Q

R

L

V

A

P

I

F

K

G

R

R

A

I

G

G

T

E

S

P

E

E

I

V

G

A

A

S

M

L

A

A

L

A

F

F

L

L

A

C

S

M

S

P

A

S

S

A

S

S

Y

Y

T

I

T

T

G

G

G

Q

V

V

F

I

T

C

A

V

D

D

G

G

F

R

T

T

I

I

TKGI 20:23 (≠ SKGI 20:23) binding NADP(+)
SR 42:43 (= SR 42:43) binding NADP(+)
DV 68:69 (≠ NV 68:69) binding NADP(+)
NAG 96:98 (≠ NAA 95:97) binding NADP(+)
Y100 (≠ P100) binding substrate
C149 (≠ I149) binding substrate
Y161 (= Y161) binding NADP(+)
K165 (= K165) binding NADP(+)
IRTPGT 194:199 (≠ IQTKFS 194:199) binding NADP(+)

Q9ZW19 Tropinone reductase homolog At2g29360; EC 1.1.1.- from Arabidopsis thaliana (Mouse-ear cress) (see paper)
34% identity, 98% coverage: 7:255/255 of query aligns to 14:262/271 of Q9ZW19

query
sites
Q9ZW19

F

W

S

S

L

L

E

V

G

G

K

M

V

T

A

A

L

L

I

V

T

T

G

G

A

G

S

S

K

K

G

G

I

I

G

G

F

E

S

A

I

V

A

V

E

E

I

E

F

L

A

A

A

T

A

L

G

G

A

A

K

R

V

I

V

H

I

T

S

C

S

A

R

R

K

D

Q

E

D

T

A

Q

L

L

D

Q

G

E

M

S

A

L

E

R

K

K

L

W

R

Q

S

A

K

K

G

G

Y

F

V

Q

G

V

S

T

G

T

I

S

A

V

C

C

N

D

V

V

G

S

N

S

M

R

D

D

E

K

L

R

P

E

A

K

L

L

V

M

E

E

K

T

T

V

V

S

A

T

L

I

Y

F

-

E

G

G

T

K

I

L

D

N

I

I

L

L

V

V

N

N

A

V

A

G

T

T

N

C

P

-

V

I

F

V

G

K

P

P

V

T

H

L

E

Q

T

H

S

T

L

A

E

E

A

D

F

F

D

S

K

F

I

T

M

M

N

A

V

T

N

N

V

L

K

E

A

S

A

A

F

F

E

H

L

L

C

S

R

Q

L

L

C

A

Y

H

P

P

H

L

L

L

R

K

K

A

S

S

S

G

G

S

A

G

S

S

V

I

I

V

N

L

I

I

S

S

I

V

G

S

G

G

I

V

S

V

P

H

E

V

H

N

G

G

L

A

G

S

I

I

Y

Y

S

G

V

V

S

S

K

K

A

G

A

A

L

M

I

N

S

Q

L

L

T

G

K

R

V

N

F

L

A

A

K

C

E

E

W

W

G

A

D

S

S

D

K

N

I

I

R

R

V

T

N

N

A

S

I

V

C

C

P

P

G

W

L

F

I

I

Q

E

T

T

K

P

F

L

S

V

E

T

A

E

L
x
S

W

L

T

S

N

N

E

E

K

E

I

F

M

R

S

K

M

E

I

V

M

E

K

S

Q

R

L

P

A

P

I

M

K

G

R

R

A

V

G

G

T

E

S

V

E

N

E

E

I

V

G

S

A

S

M

L

A

V

L

A

F

F

L

L

A

C

S

L

S

P

A

A

S

A

S

S

Y

Y

T

I

T

T

G

G

G

Q

V

T

F

I

T

C

A

V

D

D

G

G

F

F

T

T

I

V

S209 (≠ L202) mutation to Y: Loss of activity with quinuclidinone and decreased activity with cyclohexanones.

A7DY56 Tropinone reductase; EC 1.1.1.206; EC 1.1.1.236 from Cochlearia officinalis (Common scurvygrass) (see paper)
33% identity, 98% coverage: 5:255/255 of query aligns to 12:262/273 of A7DY56

query
sites
A7DY56

S

S

V

R

F

W

S

S

L

L

E

E

G

G

K

M

V

T

A

A

L

L

I

V

T

T

G

G

A

G

S

S

K

K

G

G

I

I

G

G

F

E

S

A

I

V

A

V

E

E

I

E

F

L

A

A

A

M

A

L

G

G

A

A

K

R

V

V

V

H

I

T

S

C

S

A

R

R

K

D

Q

E

D

T

A

Q

L

L

D

Q

G

E

M

S

A

L

E

R

K

E

L

W

R

Q

S

A

K

K

G

G

Y

F

V

Q

G

V

S

T

G

T

I

S

A

V

C

C

N

D

V

V

G

S

N

S

M

R

D

D

E

Q

L

R

P

E

A

K

L

L

V

M

E

E

K

T

T

V

V

S

A

S

L

L

Y

F

-

Q

G

G

T

K

I

L

D

N

I

I

L

L

V

V

N

N

A

A

A

G

T

T

N

-

P

C

V

I

F

T

G

K

P

P

V

T

H

I

E

D

T

Y

S

T

L

S

E

E

A

D

F

F

D

S

K

F

I

L

M

M

N

S

V

T

N

N

V

L

K

E

A

S

F

F

E

H

L

L

C

S

R

Q

L

L

C

A

Y

H

P

P

H

L

L

L

R

K

K

S

S

S

S

G

G

L

A

G

S

S

V

I

I

V

N

L

I

I

S

S

I

V

G

A

G

S

I

V

S

V

P

H

E

V

H

N

G

V

L

G

G

S

I

I

Y

Y

S

G

V

A

S

T

K

K

A

G

A

A

L

M

I

N

S

Q

L

L

T

A

K

R

V

N

F

L

A

A

K

C

E

E

W

W

G

A

D

S

S

D

K

S

I

I

R

K

V

V

N

N

A

S

I

V

C

C

P

P

G

G

L

F

I

I

Q

S

T

T

K

P

F

L

S

A

E

S

A

N

L
x
Y

W

F

T

R

N

N

E

E

K

E

I

F

M

K

S

K

M

E

I

V

M

E

K

N

Q

I

L

I

A

P

I

T

K

G

R

R

A

V

G

G

T

E

S

A

E

N

E

E

I

V

G

S

A

S

M

L

A

V

L

A

F

Y

L

L

A

C

S

L

S

P

A

A

S

A

S

S

Y

Y

T

V

T

T

G

G

G

Q

V

T

F

I

T

C

A

V

D

D

G

G

F

F

T

S

I

V

Y209 (≠ L202) mutation to S: Loss of tropinone or nortropinone reduction, but faster reduction of cyclohexanones.

7krmC Putative fabg bound to nadh from acinetobacter baumannii
36% identity, 97% coverage: 9:255/255 of query aligns to 3:243/244 of 7krmC

query
sites
7krmC

L

L

E

Q

G

G

K

K

V

V

A

A

L

L

I

I

T

T

G
|
G

A

A

S

A

-
x
S

-

E

K

R

G
|
G

I
|
I

G

G

F

R

S

A

I

T

A

A

E

E

I

I

F

F

A

A

A

Q

G

G

A

A

K

K

V

V

V

I

I

I

S

V

-
x
D

-
x
L

-

D

-

L

S

A

R

Q

K

S

Q

Q

D

N

A

A

L

A

D

K

G

A

M

L

A

G

E

E

K

-

L

-

R

-

S

-

K

-

G

G

Y

H

V

M

G

G

S

-

G

-

I

L

A

A

C
x
A

N
|
N

V
|
V

G

A

N

N

M

E

D

E

E

Q

L

V

P

K

A

A

L

A