SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_010437259.1 NCBI__GCF_000192475.1:WP_010437259.1 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)

4b79A The aeropath project and pseudomonas aeruginosa high-throughput crystallographic studies for assessment of potential targets in early stage drug discovery. (see paper)
46% identity, 99% coverage: 2:231/233 of query aligns to 11:234/236 of 4b79A

query
sites
4b79A

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active site: G21 (= G12), S133 (= S125), R143 (≠ V135), Y146 (= Y138), K150 (= K142)
binding nicotinamide-adenine-dinucleotide: G17 (= G8), S19 (≠ T10), S20 (≠ R11), G21 (= G12), I22 (= I13), L42 (≠ A33), L60 (= L52), D61 (= D53), I62 (≠ V54), N84 (≠ C76), G86 (= G78), L105 (≠ V97), I131 (≠ T123), Y146 (= Y138), K150 (= K142), P176 (= P168), G177 (= G169), I179 (= I171), T181 (= T173)

1vl8B Crystal structure of gluconate 5-dehydrogenase (tm0441) from thermotoga maritima at 2.07 a resolution
41% identity, 99% coverage: 2:232/233 of query aligns to 7:251/252 of 1vl8B

query
sites
1vl8B

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active site: G17 (= G12), S143 (= S125), I154 (≠ V135), Y157 (= Y138), K161 (= K142)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G8), R16 (= R11), G17 (= G12), L18 (≠ I13), S37 (= S32), R38 (≠ A33), C63 (vs. gap), D64 (= D53), V65 (= V54), A91 (≠ C76), A92 (= A77), G93 (= G78), I94 (= I79), V114 (= V97), I141 (≠ T123), S143 (= S125), Y157 (= Y138), K161 (= K142), P187 (= P168), G188 (= G169), Y190 (≠ I171), T192 (= T173), M194 (= M175), T195 (= T176)

4hp8B Crystal structure of a putative 2-deoxy-d-gluconate 3-dehydrogenase from agrobacterium tumefaciens (target efi-506435) with bound NADP
44% identity, 99% coverage: 2:232/233 of query aligns to 9:245/246 of 4hp8B

query
sites
4hp8B

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active site: G19 (= G12), S138 (= S125), V148 (= V135), Y151 (= Y138), K155 (= K142)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G8), N17 (≠ T10), T18 (≠ R11), G19 (= G12), L20 (≠ I13), R40 (vs. gap), R41 (vs. gap), D63 (= D53), F64 (≠ V54), N85 (≠ C76), G87 (= G78), I88 (= I79), I136 (≠ T123), Y151 (= Y138), K155 (= K142), P181 (= P168), G182 (= G169), I184 (= I171), T186 (= T173), N188 (≠ M175), T189 (= T176)

P50163 Tropinone reductase 2; Tropinone reductase II; TR-II; EC 1.1.1.236 from Datura stramonium (Jimsonweed) (Common thornapple) (see paper)
36% identity, 98% coverage: 4:232/233 of query aligns to 12:256/260 of P50163

query
sites
P50163

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18:41 (vs. 10:33, 46% identical) binding NADP(+)
S146 (= S125) binding substrate
IATSL 192:196 (≠ IETEM 171:175) binding NADP(+)

2ae2A Tropinone reductase-ii complexed with NADP+ and pseudotropine (see paper)
36% identity, 98% coverage: 4:232/233 of query aligns to 11:255/259 of 2ae2A

query
sites
2ae2A

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G

N

I

I

R

R

V

V

N

N

A

G

I

V

A

G

P
|
P

G
|
G

W
x
V

I
|
I

E

A

T
|
T

E
x
S

M
x
L

T
x
V

Q

E

G

M

L

T

R

I

E

Q

D

D

P

P

E

E

R

Q

T

K

A

E

G

N

-

L

-

N

-

K

I

L

L

I

A

D

R

R

T

C

P

A

M

L

K

R

R

R

W

M

G

G

K

E

P

P

E

K

E

E

V

L

G

A

A

A

L

M

V

V

Q

A

W

F

L

L

L

C

S

F

E

P

N

A

A

A

S

S

F

Y

V

V

T

T

G

G

S

Q

I

I

Y

I

P

Y

V

V

D

D

G

G

Y

L

L

M

A

A

active site: G19 (= G12), S145 (= S125), Y158 (= Y138), K162 (= K142)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G8), S17 (≠ T10), R18 (= R11), G19 (= G12), I20 (= I13), S39 (= S32), R40 (≠ A33), C64 (≠ L52), L66 (≠ V54), N93 (≠ C76), G95 (= G78), I116 (≠ V97), I143 (≠ T123), S145 (= S125), Y158 (= Y138), K162 (= K142), P188 (= P168), G189 (= G169), V190 (≠ W170), I191 (= I171), T193 (= T173), S194 (≠ E174), L195 (≠ M175), V196 (≠ T176)
binding pseudotropine: S145 (= S125), E155 (≠ V135), Y158 (= Y138), L195 (≠ M175)

1ipfA Tropinone reductase-ii complexed with NADPH and tropinone (see paper)
36% identity, 98% coverage: 4:232/233 of query aligns to 11:255/259 of 1ipfA

query
sites
1ipfA

A

A

L

L

V

V

T

T

G
|
G

G

G

T

S

R
|
R

G
|
G

I
|
I

G

G

A

Y

G

G

V

I

A

V

R

E

S

E

L

L

A

A

D

S

A

L

G

G

W

A

S

S

V

V

I

Y

A

T

A

C

S
|
S

A
x
R

S

N

Q

Q

S

K

E

E

L

L

D

N

A

D

F

C

E

L

P

T

Q

Q

-

W

-

R

-

S

D

K

G

G

L

F

K

K

V

V

Q

E

-

A

-

S

L

V

L
x
C

D
|
D

V
x
L

T

S

D

S

Q

R

T

S

S

E

-

R

-

Q

-

E

-

L

I

M

N

N

D

T

V

V

F

A

G

N

E

H

L

F

T

H

G

G

-

K

L

L

K

N

A

I

L

L

V

V

N

N

C
x
N

A

A

G

G

I

I

L

V

L

I

R

Y

G

K

E

E

-

A

-

K

E

D

Y

Y

D

T

I

V

D

E

V

D

F

Y

A

S

K

L

V

I

L

M

D

S

V

I

N

N

L

F

T

E

G

A

T

A

M

Y

R

H

C

L

C

S

L

V

A

L

A

A

H

H

P

P

L

F

L

L

-

K

A

A

E

S

A

E

S

R

G

G

A

N

I

V

V

V

N

F

T

I

A

S

S
|
S

M

V

L
x
S

S

G

T

A

F

L

G

A

G

V

P

P

L

Y

V
x
E

P

A

A

V

Y
|
Y

S

G

A

A

S

T

K
|
K

G

G

G

A

V

M

A

D

Q

Q

L

L

T

T

K

R

A

C

L

L

A

A

G

F

R

E

W

W

A

A

E

K

D

D

G

N

I

I

R

R

V

V

N

N

A

G

I

V

A

G

P
|
P

G

G

W
x
V

I
|
I

E

A

T
|
T

E
x
S

M
x
L

T
x
V

Q

E

G

M

L

T

R

I

E

Q

D

D

P

P

E

E

R

Q

T

K

A

E

G

N

-

L

-

N

-

K

I

L

L

I

A

D

R

R

T

C

P

A

M

L

K

R

R

R

W

M

G

G

K

E

P

P

E

K

E

E

V

L

G

A

A

A

L

M

V

V

Q

A

W

F

L

L

L

C

S

F

E

P

N

A

A

A

S

S

F

Y

V

V

T

T

G

G

S

Q

I

I

Y

I

P

Y

V

V

D

D

G

G

Y

L

L

M

A

A

active site: G19 (= G12), S145 (= S125), Y158 (= Y138), K162 (= K142)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G15 (= G8), R18 (= R11), G19 (= G12), I20 (= I13), S39 (= S32), R40 (≠ A33), C64 (≠ L52), D65 (= D53), L66 (≠ V54), N93 (≠ C76), S145 (= S125), Y158 (= Y138), K162 (= K142), P188 (= P168), V190 (≠ W170), I191 (= I171), T193 (= T173), S194 (≠ E174), L195 (≠ M175), V196 (≠ T176)
binding 8-methyl-8-azabicyclo[3,2,1]octan-3-one: S147 (≠ L127), E155 (≠ V135), Y158 (= Y138)

1ipeA Tropinone reductase-ii complexed with NADPH (see paper)
36% identity, 98% coverage: 4:232/233 of query aligns to 11:255/259 of 1ipeA

query
sites
1ipeA

A

A

L

L

V

V

T

T

G
|
G

G

G

T
x
S

R
|
R

G
|
G

I
|
I

G

G

A

Y

G

G

V

I

A

V

R

E

S

E

L

L

A

A

D

S

A

L

G

G

W

A

S

S

V

V

I

Y

A

T

A

C

S
|
S

A
x
R

S

N

Q

Q

S

K

E

E

L

L

D

N

A

D

F

C

E

L

P

T

Q

Q

-

W

-

R

-

S

D

K

G

G

L

F

K

K

V

V

Q

E

-

A

-

S

L

V

L
x
C

D
|
D

V
x
L

T

S

D

S

Q

R

T

S

S

E

-

R

-

Q

-

E

-

L

I

M

N

N

D

T

V

V

F

A

G

N

E

H

L

F

T

H

G

G

-

K

L

L

K

N

A

I

L

L

V

V

N

N

C
x
N

A

A

G

G

I

I

L

V

L

I

R

Y

G

K

E

E

-

A

-

K

E

D

Y

Y

D

T

I

V

D

E

V

D

F

Y

A

S

K

L

V

I

L

M

D

S

V
x
I

N

N

L

F

T

E

G

A

T

A

M

Y

R

H

C

L

C

S

L

V

A

L

A

A

H

H

P

P

L

F

L

L

-

K

A

A

E

S

A

E

S

R

G

G

A

N

I

V

V

V

N

F

T

I

A

S

S
|
S

M

V

L

S

S

G

T

A

F

L

G

A

G

V

P

P

L

Y

V

E

P

A

A

V

Y
|
Y

S

G

A

A

S

T

K
|
K

G

G

G

A

V

M

A

D

Q

Q

L

L

T

T

K

R

A

C

L

L

A

A

G

F

R

E

W

W

A

A

E

K

D

D

G

N

I

I

R

R

V

V

N

N

A

G

I

V

A

G

P
|
P

G

G

W

V

I
|
I

E

A

T
|
T

E
x
S

M
x
L

T
x
V

Q

E

G

M

L

T

R

I

E

Q

D

D

P

P

E

E

R

Q

T

K

A

E

G

N

-

L

-

N

-

K

I

L

L

I

A

D

R

R

T

C

P

A

M

L

K

R

R

R

W

M

G

G

K

E

P

P

E

K

E

E

V

L

G

A

A

A

L

M

V

V

Q

A

W

F

L

L

L

C

S

F

E

P

N

A

A

A

S

S

F

Y

V

V

T

T

G

G

S

Q

I

I

Y

I

P

Y

V

V

D

D

G

G

Y

L

L

M

A

A

active site: G19 (= G12), S145 (= S125), Y158 (= Y138), K162 (= K142)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G15 (= G8), S17 (≠ T10), R18 (= R11), G19 (= G12), I20 (= I13), S39 (= S32), R40 (≠ A33), C64 (≠ L52), D65 (= D53), L66 (≠ V54), N93 (≠ C76), I116 (≠ V97), S145 (= S125), Y158 (= Y138), K162 (= K142), P188 (= P168), I191 (= I171), T193 (= T173), S194 (≠ E174), L195 (≠ M175), V196 (≠ T176)

2ekpA Structure of tt0495 protein from thermus thermophilus (see paper)
37% identity, 99% coverage: 2:232/233 of query aligns to 2:237/238 of 2ekpA

query
sites
2ekpA

K

R

Q

K

A

A

L

L

V

V

T

T

G
|
G

G

G

T
x
S

R

R

G
|
G

I
|
I

G

G

A

R

G

A

V

I

A

A

R

E

S

A

L

L

A

V

D

A

A

R

G

G

W

Y

S

R

V

V

I

A

A

I

A

A

S
|
S

A

R

S

N

Q

P

S

E

E

E

L

A

D

A

A

Q

F

S

E

L

P

G

Q

A

D

V

G

P

L

L

K

P

V
x
T

Q
x
D

L
|
L

L

E

D

K

V

D

T

D

D

P

Q

K

T

G

S

L

I

V

N

K

D

R

V

A

F

L

G

E

E

A

L

L

T

G

G

G

L

L

K

H

A

V

L

L

V

V

N

H

C
x
A

A

A

G
x
A

I

V

L

N

L

V

R

R

G

K

E

P

-

A

-

L

E

E

Y

L

D

S

I

Y

D

E

V

E

F

W

A

R

K

R

V

V

L

L

D

Y

V

L

N

H

L

L

T

D

G

V

T

A

M

F

R

L

C

L

C

A

L

Q

A

A

H

A

P

P

L

H

L

M

A

A

E

E

A

A

S

G

G

W

A

G

I

R

V

V

N

L

T

F

A
x
I

S
x
G

M
x
S

L

V

S

T

T

T

F

F

-

T

-

A

G

G

P

P

L

V

-

P

V

I

P

P

A

A

Y
|
Y

S

T

A

T

S

A

K
|
K

G

T

G

A

V

L

A

L

Q

G

L

L

T

T

K

R

A

A

L

L

A

A

G

K

R

E

W

W

A

A

E

R

D

L

G

G

I

I

R

R

V

V

N

N

A

L

I

L

A

C

P
|
P

G
|
G

W

Y

I
x
V

E

E

T
|
T

E

E

M
x
F

T
|
T

Q

L

G

P

L

L

R

R

E

Q

D

N

P

P

E

E

R

L

T

Y

A

E

G

P

I

I

L

T

A

A

R

R

T

I

P

P

M

M

K

G

R

R

W

W

G

A

K

R

P

P

E

E

V

I

G

A

A

R

L

V

V

A

Q

A

W

V

L

L

L

C

S

G

E

D

N

E

A

A

S

E

F

Y

V

L

T

T

G

G

S

Q

I

A

Y

V

P

A

V

V

D

D

G

G

Y

F

L

L

A

A

active site: G12 (= G12), S128 (≠ M126), Y143 (= Y138), K147 (= K142)
binding nicotinamide-adenine-dinucleotide: G8 (= G8), S10 (≠ T10), G12 (= G12), I13 (= I13), S32 (= S32), T49 (≠ V49), D50 (≠ Q50), L51 (= L51), A76 (≠ C76), A78 (≠ G78), I126 (≠ A124), G127 (≠ S125), Y143 (= Y138), K147 (= K142), P173 (= P168), G174 (= G169), V176 (≠ I171), T178 (= T173), F180 (≠ M175), T181 (= T176)

3uf0A Crystal structure of a putative NAD(p) dependent gluconate 5- dehydrogenase from beutenbergia cavernae(efi target efi-502044) with bound NADP (low occupancy)
41% identity, 99% coverage: 2:232/233 of query aligns to 8:248/249 of 3uf0A

query
sites
3uf0A

K

R

Q

T

A

A

L

V

V

V

T

T

G
|
G

G

A

T

G

R
x
S

G
|
G

I
|
I

G

G

A

R

G

A

V

I

A

A

R

H

S

G

L

Y

A

A

D

R

A

A

G

G

W

A

S

H

V

V

I

L

A

A

A

W

S

G

A
x
R

S

T

Q

D

S

G

E

V

L

K

D

E

-

V

A

A

F

D

E

E

P

I

Q

A

D

D

G

G

-

G

-

S

L

A

K

E

V

A

Q

V

L

V

L

A

D
|
D

V
x
L

T

A

D

D

Q

L

T

E

S

G

I

A

N

A

D

N

V

V

F

A

G

E

E

E

L

L

T

A

G

A

L

T

K

R

-

R

-

V

-

D

A

V

L

L

V

V

N

N

C
x
N

A

A

G
|
G

I
|
I

L

I

L

A

R

R

G

A

-

P

-

A

E

E

Y

V

D

S

I

L

D

G

V

R

F

W

A

R

K

E

V

V

L

L

D

T

V

V

N

N

L

L

T

D

G

A

T

A

M

W

R

V

C

L

C

S

L

R

A

S

-

F

A

G

H

T

P

A

L

M

L

L

A

A

E

H

A

G

S

S

G

G

A

R

I

I

V

V

N

T

T
x
I

A
|
A

S
|
S

M

M

L

L

S

S

T

F

F

Q

G

G

P

R

L

N

V
|
V

P

A

A

A

Y
|
Y

S

A

A

A

S

S

K
|
K

G

H

G

A

V

V

A

V

Q

G

L

L

T

T

K

R

A

A

L

L

A

A

G

S

R

E

W

W

A

A

E

G

D

R

G

G

I

V

R

G

V

V

N

N

A

A

I

L

A

A

P
|
P

G
|
G

W

Y

I
x
V

E

V

T
|
T

E

A

M
x
N

T
|
T

Q

A

G

A

L

L

R

R

E

A

D

D

P

D

E

E

R

R

T

A

A

A

G

E

I

I

L

T

A

A

R

R

T

I

P

P

M

A

K

G

R

R

W

W

G

A

K

T

P

P

E

E

E

D

V

M

G

V

A

G

L

P

V

A

Q

V

W

F

L

L

L

A

S

S

E

D

N

A

A

A

S

S

F

Y

V

V

T

H

G

G

S

Q

I

V

Y

L

P

A

V

V

D

D

G

G

Y

W

L

L

A

A

active site: G18 (= G12), S141 (= S125), V151 (= V135), Y154 (= Y138), K158 (= K142)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G14 (= G8), S17 (≠ R11), G18 (= G12), I19 (= I13), R39 (≠ A33), D63 (= D53), L64 (≠ V54), N89 (≠ C76), G91 (= G78), I92 (= I79), I139 (≠ T123), A140 (= A124), S141 (= S125), Y154 (= Y138), K158 (= K142), P184 (= P168), G185 (= G169), V187 (≠ I171), T189 (= T173), N191 (≠ M175), T192 (= T176)

P50162 Tropinone reductase 1; Tropine dehydrogenase; Tropinone reductase I; TR-I; EC 1.1.1.206 from Datura stramonium (Jimsonweed) (Common thornapple) (see paper)
35% identity, 98% coverage: 4:232/233 of query aligns to 24:269/273 of P50162

query
sites
P50162

A

A

L
|
L

V
|
V

T
|
T

G
|
G

T
x
S

R
x
K

G
|
G

I
|
I

G
|
G

A
x
Y

G
x
A

V
x
I

A
x
V

R
x
E

S
x
E

L
|
L

A
|
A

D
x
G

A
x
L

G
|
G

W
x
A

S
x
R

V
|
V

I
x
Y

A

T

A

C

S

S

A

R

S

N

Q

E

S

K

E

E

L

L

D

D

A

E

-

C

-

L

-

E

F

I

E

W

P

R

Q

E

D

K

G

G

L

L

K

N

V

V

Q

E

-

G

-

S

-

V

-

C

-

D

L

L

D

S

V

R

T

T

D

E

Q

R

T

D

S

K

I

L

N

M

D

Q

V

T

F

V

G

A

E

H

L

V

T

F

-

D

-

G

G

K

L

L

K

N

A

I

L

L

V

V

N

N

C

N

A

A

G

G

I

V

L

V

L

I

R

H

G

K

E

E

E

A

Y

K

D

D

I

F

-

T

-

E

D

K

V

D

F

Y

A

N

K

I

V

I

L

M

D

G

V

T

N

N

L

F

T

E

G

A

T

A

M

Y

R

H

C

L

C

S

L

Q

A

I

A

A

H

Y

P

P

L

L

-

K

A

A

E

S

A

Q

S

N

G

G

A

N

I

V

V

I

N

F

T

L

A

S

S
|
S

M

I

L

A

S

G

T

F

F

S

G

A

G

L

P

P

L

S

V

V

P

S

A

L

Y
|
Y

S

S

A

A

S

S

K

K

G

G

G

A

V

I

A

N

Q

Q

L

M

T

T

K

K

A

S

L

L

A

A

G

C

R

E

W

W

A

A

E

K

D

D

G

N

I

I

R

R

V

V

N

N

A

S

I

V

A

A

P

P

G

G

W

V

I

I

E

L

T

T

E

P

M

L

T

V

Q

E

-

T

G

A

L

I

R

K

E

K

D

N

P

P

-

H

-

Q

-

K

E

E

R

E

T

I

A

D

G

N

I

F

L

I

A

V

R

K

T

T

P

P

M

M

K

G

R

R

W

A

G

G

K

K

P

P

E

Q

E

E

V

V

G

S

A

A

L

L

V

I

Q

A

W

F

L

L

L

C

S

F

E

P

N

A

A

A

S

S

F

Y

V

I

T

T

G

G

S

Q

I

I

Y

I

P

W

V

A

D

D

G

G

Y

F

L

T

A

A

25:49 (vs. 5:29, 48% identical) binding NADP(+)
S158 (= S125) binding substrate
Y171 (= Y138) active site, Proton acceptor

4nbuB Crystal structure of fabg from bacillus sp (see paper)
35% identity, 99% coverage: 2:231/233 of query aligns to 8:243/244 of 4nbuB

query
sites
4nbuB

K

K

Q

V

A

A

L

I

V

I

T

T

G
|
G

G

A

T

A

R
x
N

G
|
G

I
|
I

G

G

A

L

G

E

V

A

A

A

R

R

S

V

L

F

A

M

D

K

A

E

G

G

W

A

S

K

V

V

I

V

A

I

A

A

S
x
D

A
x
F

S

N

Q

E

S

A

E

A

-

G

L

K

D

E

A

A

F

V

E

E

P

A

Q

N

D

P

G

G

L

V

K

V

V

F

Q

I

L

R

L
x
V

D
|
D

V
|
V

T

S

D

D

Q

R

T

E

S

S

I

V

N

H

-

R

-

L

-

V

-

E

D

N

V

V

F

A

G

E

E

R

L

F

T

G

G

K

L

I

K

D

A

I

L

L

V

I

N

N

C
x
N

A
|
A

G
|
G

I
|
I

L

T

L

R

R
x
D

G

S

-

M

-

L

E

S

E
x
K

Y

M

D

T

I

V

D

D

V

Q

F

F

A

Q

K

Q

V

V

L

I

D

N

V

V

N
|
N

L

L

T

T

G

G

T

V

M

F

R

H

C

C

C

T

L

Q

A

A

A

V

H

L

P

P

L

Y

L

M

A

A

E

E

-

Q

A

G

S

K

G

G

A

K

I

I

V

I

N

N

T
|
T

A

S

S
|
S

M

V

L

T

S

G

T

T

F

Y

G

G

G
x
N

P
x
V

L

G

V
x
Q

P

T

A

N

Y
|
Y

S

A

A

A

S

A

K
|
K

G

A

G

G

V

V

A

I

Q

G

L

M

T

T

K

K

A

T

L

W

A

A

G

K

R

E

W

L

A

A

E

R

D

K

G

G

I

I

R

N

V

V

N

N

A

A

I

V

A

A

P
|
P

G

G

W
x
F

I
x
T

E

E

T
|
T

E

A

M
|
M

T

-

Q

-

G

-

L

V

R

A

E

E

D

V

P

P

E

E

R

K

T

V

-

I

A

E

G
x
K

I

M

L

K

A

A

R

Q

T

V

P

P

M

M

K

G

R

R

W

L

G

G

K

K

P

P

E

E

E

D

V

I

G

A

A

N

L

A

V

Y

Q

L

W

F

L

L

L

A

S

S

E

H

N

E

A

S

S

D

F

Y

V

V

T

N

G

G

S

H

I

V

Y

L

P

H

V

V

D

D

G

G

Y

I

L

M

active site: G18 (= G12), N111 (= N98), S139 (= S125), Q149 (≠ V135), Y152 (= Y138), K156 (= K142)
binding acetoacetyl-coenzyme a: D93 (≠ R82), K98 (≠ E85), S139 (= S125), N146 (≠ G132), V147 (≠ P133), Q149 (≠ V135), Y152 (= Y138), F184 (≠ W170), M189 (= M175), K200 (≠ G188)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G8), N17 (≠ R11), G18 (= G12), I19 (= I13), D38 (≠ S32), F39 (≠ A33), V59 (≠ L52), D60 (= D53), V61 (= V54), N87 (≠ C76), A88 (= A77), G89 (= G78), I90 (= I79), T137 (= T123), S139 (= S125), Y152 (= Y138), K156 (= K142), P182 (= P168), F184 (≠ W170), T185 (≠ I171), T187 (= T173), M189 (= M175)

1ae1B Tropinone reductase-i complex with NADP (see paper)
35% identity, 98% coverage: 4:232/233 of query aligns to 9:254/258 of 1ae1B

query
sites
1ae1B

A

A

L

L

V

V

T

T

G
|
G

G

G

T
x
S

R
x
K

G
|
G

I
|
I

G

G

A

Y

G

A

V

I

A

V

R

E

S

E

L

L

A

A

D

G

A

L

G

G

W

A

S

R

V

V

I

Y

A

T

A

C

S
|
S

A
x
R

S

N

Q

E

S

K

E

E

L

L

D

D

A

E

-

C

-

L

-

E

F

I

E

W

P

R

Q

E

D

K

G

G

L

L

K

N

V

V

Q

E

-

G

-

S

-

V

-
x
C

-
x
D

L
|
L

L

L

D

S

V

R

T

T

D

E

Q

R

T

D

S

K

I

L

N

M

D

Q

V

T

F

V

G

A

E

H

L

V

T

F

-

D

-

G

G

K

L

L

K

N

A

I

L

L

V

V

N

N

C
x
N

A
|
A

G

G

I

V

L

V

L

I

R

H

G

K

E

E

E

A

Y

K

D

D

I

F

-

T

-

E

D

K

V

D

F

Y

A

N

K

I

V

I

L

M

D

G

V

T

N

N

L

F

T

E

G

A

T

A

M

Y

R

H

C

L

C

S

L

Q

A

I

A

A

H

Y

P

P

L

L

-

K

A

A

E

S

A

Q

S

N

G

G

A

N

I

V

V

I

N

F

T

L

A

S

S
|
S

M

I

L

A

S

G

T

F

F

S

G

A

G

L

P

P

L

S

V
|
V

P

S

A

L

Y
|
Y

S

S

A

A

S

S

K
|
K

G

G

G

A

V

I

A

N

Q

Q

L

M

T

T

K

K

A

S

L

L

A

A

G

C

R

E

W

W

A

A

E

K

D

D

G

N

I

I

R

R

V

V

N

N

A

S

I

V

A

A

P
|
P

G

G

W

V

I
|
I

E

L

T
|
T

E

P

M
x
L

T
x
V

Q

E

-

T

G

A

L

I

R

K

E

K

D

N

P

P

-

H

-

Q

-

K

E

E

R

E

T

I

A

D

G

N

I

F

L

I

A

V

R

K

T

T

P

P

M

M

K

G

R

R

W

A

G

G

K

K

P

P

E

Q

E

E

V

V

G

S

A

A

L

L

V

I

Q

A

W

F

L

L

L

C

S

F

E

P

N

A

A

A

S

S

F

Y

V

I

T

T

G

G

S

Q

I

I

Y

I

P

W

V

A

D

D

G

G

Y

F

L

T

A

A

active site: G17 (= G12), S143 (= S125), V153 (= V135), Y156 (= Y138), K160 (= K142)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G8), S15 (≠ T10), K16 (≠ R11), G17 (= G12), I18 (= I13), S37 (= S32), R38 (≠ A33), C62 (vs. gap), D63 (vs. gap), L64 (= L51), N91 (≠ C76), A92 (= A77), S143 (= S125), Y156 (= Y138), K160 (= K142), P186 (= P168), I189 (= I171), T191 (= T173), L193 (≠ M175), V194 (≠ T176)

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)
38% identity, 98% coverage: 2:229/233 of query aligns to 9:243/247 of 3op4A

query
sites
3op4A

K

K

Q

V

A

A

L

L

V

V

T

T

G
|
G

G

A

T
x
S

R
|
R

G

G

I
|
I

G

G

A

K

G

A

V

I

A

A

R

E

S

L

L

L

A

A

D

E

A

R

G

G

W

A

S

K

V

V

I

I

A

G

A

T

S

A

A
x
T

S

S

Q

E

S

S

E

G

L

A

D

Q

A

A

F

I

E

S

P

D

Q

Y

-

L

-

G

D

D

G

N

L

G

K

K

V

G

Q

M

L

A

L

L

D
x
N

V
|
V

T

T

D

N

Q

P

T

E

S

S

I

I

N

E

D

A

V

V

F

L

G

K

E

A

L

I

T

T

-

D

-

E

-

F

-

G

G

G

L

V

K

D

A

I

L

L

V

V

N

N

C
x
N

A
|
A

G

G

I
|
I

-

T

-

R

-

D

-

N

-

L

L

L

L

M

R

R

G

M

E

K

E

E

Y

E

D

E

I

-

D

-

V

-

F

W

A

S

K

D

V

I

L

M

D

E

V

T

N

N

L

L

T

T

G

S

T

I

M

F

R

R

C

L

C

S

L

K

A

A

A

V

-

L

H

R

P

G

L

M

A

K

E

K

A

R

S

Q

G

G

A

R

I

I

V

I

N

N

T
x
V

A

G

S
|
S

M

V

L

V

S

G

T

T

F

M

G

G

G

N

P

A

L

G

V

Q

P

A

A

N

Y
|
Y

S

A

A

A

S

A

K
|
K

G

A

G

G

V

V

A

I

Q

G

L

F

T

T

K

K

A

S

L

M

A

A

G

R

R

E

W

V

A

A

E

S

D

R

G

G

I

V

R

T

V

V

N

N

A

T

I

V

A

A

P
|
P

G
|
G

W

F

I
|
I

E

E

T
|
T

E

D

M
|
M

T

T

Q

K

G

A

L

L

R

-

E

N

D

D

P

E

E

Q

R

R

T

T

A

A

G

-

I

T

L

L

A

A

R

Q

T

V

P

P

M

A

K

G

R

R

W

L

G

G

K

D

P

P

E

R

E

E

V

I

G

A

A

S

L

A

V

V

Q

A

W

F

L

L

L

A

S

S

E

P

N

E

A

A

S

A

F

Y

V

I

T

T

G

G

S

E

I

T

Y

L

P

H

V

V

D

N

G

G

binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G8), S17 (≠ T10), R18 (= R11), I20 (= I13), T40 (≠ A33), N62 (≠ D53), V63 (= V54), N89 (≠ C76), A90 (= A77), I92 (= I79), V139 (≠ T123), S141 (= S125), Y154 (= Y138), K158 (= K142), P184 (= P168), G185 (= G169), I187 (= I171), T189 (= T173), M191 (= M175)

5fffA Noroxomaritidine/norcraugsodine reductase in complex with NADP+ and piperonal (see paper)
35% identity, 97% coverage: 4:229/233 of query aligns to 14:252/257 of 5fffA

query
sites
5fffA

A

A

L

L

V

V

T

T

G
|
G

G

G

T
|
T

R

K

G
|
G

I
|
I

G

G

A

H

G

A

V

I

A

V

R

E

S

E

L

L

A

V

D

G

A

F

G

G

W

A

S

R

V

V

I

Y

A

T

A

C

S

S

A
x
R

S

N

Q

E

S

A

E

E

L

L

-

R

D

K

A

C

F

L

E

Q

P

E

Q

W

D

E

G

N

L

L

K

K

V

Y

-

D

-

V

-

T

-

G

Q

S

L

V

L
x
C

D
|
D

V
|
V

T

S

D

S

Q

R

T

T

S

E

I

R

N

E

D

K

V

L

F

A

G

E

E

E

L

V

T

S

G

S

-

V

-

F

-

N

-

G

-

K

L

L

K

N

A

I

L

L

V

I

N

N

C
x
N

A

A

G

G

I

G

L
x
Y

L

V

R

N

G

K

-

P

-

I

E

D

E

G

Y

F

D

T

I

A

D

E

V

D

F

F

A

S

K

F

V

L

L

V

D

A

V

V

N

N

L

L

T

E

G

S

T

A

M

F

R

H

C

L

C

C

L

Q

A

L

A

A

H

H

P

P

L

M

L

L

-

K

A

A

E

S

A

G

S

T

G

G

A

S

I

I

V

V

N

H

T
x
I

A

S

S

S

M

C

L

C

S

A

T

Q

F

I

G

A

G

I

P

P

L

G

V
x
H

P

S

A

I

Y
|
Y

S

S

A

S

S

T

K
|
K

G

G

G

A

V

I

A

N

Q

Q

L

L

T

T

K

R

A

N

L

L

A

A

G

C

R

E

W

W

A

A

E

K

D

D

G

N

I

I

R

R

V

T

N

N

A

S

I

I

A

A

P
|
P

G

G

W
x
A

I
|
I

E

R

T
|
T

E

P

M
x
G

T
|
T

Q

E

G

S

L

F

R

V

E

I

D

D

P
x
K

E

D

R

A

T

L

A

D

G

R

I

E

L

V

A

S

R

R

T

V

P

P

M

F

K

G

R

R

W

I

G

G

K

E

P

P

E

E

V

V

G

A

A

S

L

L

V

A

Q

A

W

F

L

L

L

C

S

M

E

P

N

S

A

A

S

S

F

Y

V

I

T

T

G

G

S

Q

I

V

Y

I

P

C

V

V

D

D

G

G

active site: K206 (≠ P183)
binding 1,3-benzodioxole-5-carbaldehyde: Y100 (≠ L80), H158 (≠ V135)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G18 (= G8), T20 (= T10), G22 (= G12), I23 (= I13), R43 (≠ A33), C67 (≠ L52), D68 (= D53), V69 (= V54), N96 (≠ C76), I146 (≠ T123), Y161 (= Y138), K165 (= K142), P191 (= P168), A193 (≠ W170), I194 (= I171), T196 (= T173), G198 (≠ M175), T199 (= T176)

5ff9B Noroxomaritidine/norcraugsodine reductase in complex with NADP+ and tyramine (see paper)
35% identity, 97% coverage: 4:229/233 of query aligns to 14:252/257 of 5ff9B

query
sites
5ff9B

A

A

L

L

V

V

T

T

G
|
G

G

G

T
|
T

R
x
K

G

G

I
|
I

G

G

A

H

G

A

V

I

A

V

R

E

S

E

L

L

A

V

D

G

A

F

G

G

W

A

S

R

V

V

I

Y

A

T

A

C

S
|
S

A
x
R

S

N

Q

E

S

A

E

E

L

L

-

R

D

K

A

C

F

L

E

Q

P

E

Q

W

D

E

G

N

L

L

K

K

V

Y

-

D

-

V

-

T

-

G

Q

S

L

V

L
x
C

D
|
D

V
|
V

T

S

D

S

Q

R

T

T

S

E

I

R

N

E

D

K

V

L

F

A

G

E

E

E

L

V

T

S

G

S

-

V

-

F

-

N

-

G

-

K

L

L

K

N

A

I

L

L

V

I

N

N

C
x
N

A

A

G

G

I

G

L
x
Y

L

V

R

N

G

K

-

P

-

I

E

D

E

G

Y

F

D

T

I

A

D

E

V

D

F

F

A

S

K

F

V

L

L

V

D

A

V

V

N

N

L

L

T

E

G

S

T

A

M

F

R

H

C

L

C

C

L

Q

A

L

A

A

H

H

P

P

L

M

L

L

-

K

A

A

E

S

A

G

S

T

G

G

A

S

I

I

V

V

N

H

T
x
I

A

S

S
|
S

M

C

L

C

S

A

T

Q

F

I

G

A

G
x
I

P

P

L

G

V
x
H

P

S

A

I

Y
|
Y

S

S

A

S

S

T

K
|
K

G

G

G

A

V

I

A

N

Q

Q

L

L

T

T

K

R

A

N

L

L

A

A

G

C

R

E

W

W

A

A

E

K

D

D

G

N

I

I

R

R

V

T

N

N

A

S

I

I

A

A

P
|
P

G

G

W
x
A

I
|
I

E

R

T
|
T

E

P

M
x
G

T
|
T

Q

E

G

S

L

F

R

V

E

I

D

D

P
x
K

E

D

R

A

T

L

A

D

G

R

I

E

L

V

A

S

R

R

T

V

P

P

M

F

K

G

R

R

W

I

G

G

K

E

P

P

E

E

V

V

G

A

A

S

L

L

V

A

Q

A

W

F

L

L

L

C

S

M

E

P

N

S

A

A

S

S

F

Y

V

I

T

T

G

G

S

Q

I

V

Y

I

P

C

V

V

D

D

G

G

active site: K206 (≠ P183)
binding 4-(2-aminoethyl)phenol: Y100 (≠ L80), I155 (≠ G132), H158 (≠ V135)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G18 (= G8), T20 (= T10), K21 (≠ R11), I23 (= I13), S42 (= S32), R43 (≠ A33), C67 (≠ L52), D68 (= D53), V69 (= V54), N96 (≠ C76), I146 (≠ T123), S148 (= S125), Y161 (= Y138), K165 (= K142), P191 (= P168), A193 (≠ W170), I194 (= I171), T196 (= T173), G198 (≠ M175), T199 (= T176)

A0A1A9TAK5 Noroxomaritidine/norcraugsodine reductase; NorRed; EC 1.1.1.- from Narcissus pseudonarcissus (Daffodil) (see paper)
35% identity, 97% coverage: 4:229/233 of query aligns to 14:252/257 of A0A1A9TAK5

query
sites
A0A1A9TAK5

A

A

L

L

V

V

T

T

G

G

T
|
T

R
x
K

G
|
G

I
|
I

G

G

A

H

G

A

V

I

A

V

R

E

S

E

L

L

A

V

D

G

A

F

G

G

W

A

S

R

V

V

I

Y

A

T

A

C

S
|
S

A
x
R

S

N

Q

E

S

A

E

E

L

L

-

R

D

K

A

C

F

L

E

Q

P

E

Q

W

D

E

G

N

L

L

K

K

V

Y

-

D

-

V

-

T

-

G

Q

S

L

V

L

C

D
|
D

V
|
V

T

S

D

S

Q

R

T

T

S

E

I

R

N

E

D

K

V

L

F

A

G

E

E

E

L

V

T

S

G

S

-

V

-

F

-

N

-

G

-

K

L

L

K

N

A

I

L

L

V

I

N

N

C
x
N

A
|
A

G
|
G

I

G

L
x
Y

L

V

R

N

G

K

-

P

-

I

E

D

E

G

Y

F

D

T

I

A

D

E

V

D

F

F

A

S

K

F

V

L

L

V

D

A

V

V

N

N

L

L

T

E

G

S

T

A

M

F

R

H

C

L

C

C

L

Q

A

L

A

A

H

H

P

P

L

M

L

L

-

K

A

A

E

S

A

G

S

T

G

G

A

S

I

I

V

V

N

H

T

I

A

S

S

S

M
x
C

L

C

S

A

T

Q

F

I

G

A

G

I

P

P

L

G

V

H

P

S

A

I

Y
|
Y

S

S

A

S

S

T

K
|
K

G

G

G

A

V

I

A

N

Q

Q

L

L

T

T

K

R

A

N

L

L

A

A

G

C

R

E

W

W

A

A

E

K

D

D

G

N

I

I

R

R

V

T

N

N

A

S

I

I

A

A

P

P

G

G

W

A

I
|
I

E
x
R

T
|
T

E
x
P

M
x
G

T
|
T

Q

E

G

S

L

F

R

V

E

I

D

D

P

K

E

D

R

A

T

L

A

D

G

R

I

E

L

V

A

S

R

R

T

V

P

P

M

F

K

G

R

R

W

I

G

G

K

E

P

P

E

E

V

V

G

A

A

S

L

L

V

A

Q

A

W

F

L

L

L

C

S

M

E

P

N

S

A

A

S

S

F

Y

V

I

T

T

G

G

S

Q

I

V

Y

I

P

C

V

V

D

D

G

G

TKGI 20:23 (≠ TRGI 10:13) binding NADP(+)
SR 42:43 (≠ SA 32:33) binding NADP(+)
DV 68:69 (= DV 53:54) binding NADP(+)
NAG 96:98 (≠ CAG 76:78) binding NADP(+)
Y100 (≠ L80) binding substrate
C149 (≠ M126) binding substrate
Y161 (= Y138) binding NADP(+)
K165 (= K142) binding NADP(+)
IRTPGT 194:199 (≠ IETEMT 171:176) binding NADP(+)

5itvA Crystal structure of bacillus subtilis bacc dihydroanticapsin 7- dehydrogenase in complex with nadh (see paper)
35% identity, 99% coverage: 2:232/233 of query aligns to 8:254/255 of 5itvA

query
sites
5itvA

K

K

Q

T

A

V

L

L

V

I

T

T

G
|
G

G

G

T

A

R
x
S

G
|
G

I
|
I

G

G

A

Y

G

A

V

A

A

V

R

Q

S

A

L

F

A

L

D

G

A

Q

G

Q

W

A

S

N

V

V

I

V

A

V

A

A

S
x
D

A
x
I

S

D

Q

E

S

A

E

Q

L

G

D

E

A

A

F

M

-

V

-

R

-

K

E

E

P

N

Q

N

D

D

G

R

L

L

K

H

V

F

Q

V

L

Q

L
x
T

D

D

V
x
I

T

T

D

D

-

E

-

A

-

C

Q

Q

T

H

S

A

I

V

N

E

D

S