SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_111391131.1 NCBI__GCF_003253485.1:WP_111391131.1 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)

4gvxA Crystal structure of a short chain dehydrogenase homolog (target efi- 505321) from burkholderia multivorans, with bound NADP and l-fucose
59% identity, 100% coverage: 1:256/256 of query aligns to 1:257/258 of 4gvxA

query
sites
4gvxA

M

M

N

D

L

L

H

N

L

L

Q

Q

D

D

K

K

V

V

I

V

L

I

I

V

S

T

G
|
G

G

G

A

A

K
x
S

G
|
G

I
|
I

G

G

A

A

I

I

S

S

K

M

G

R

L

L

I

A

E

E

G

R

A

A

I

I

P

P

V

V

I

V

I

F

D

A

P
x
R

S
x
H

E

A

K

P

E

D

G

G

K

A

E

F

L

L

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D

E

A

L

L

A

A

V

Q

G

R

-

Q

-

P

K

R

A

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Y

L

L

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W

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x
E

L
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L

F

Q

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E

A

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C

C

E

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K

D

A

A

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L

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A

A

T

F

F

G

G

R

R

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L

D

D

G

G

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L

V

V

N

N

N
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N

A

A

G

G

A

V

N
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N

D

D

G

G

V

I

G

G

L

L

E

D

K

A

G

G

S

R

P

-

E

D

A

A

F

F

A

V

Q

A

S

S

I

L

A

E

N

R

N

N

L

L

H

I

H

H

Y

Y

S

A

L

M

V

A

H

H

F

Y

A

C

L

V

P

P

E

H

L

L

K

K

K

A

S

T

Q

R

G

G

A

A

I

I

V

V

N

N

I
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I

S
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S

K
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K

T

T

A

A

V

V

T

T

G

G

Q
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Q

G

G

G

N

T
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T

S

S

G

G

Y
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Y

V

C

A

A

A

S

K
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K

G

G

A

A

Q

Q

L

L

A

A

L

L

T

T

R

R

E

E

W

W

S

A

V

V

E

A

L

L

L

R

P

E

Y

H

H

G

I

V

R

R

V

V

N

N

A

A

I

V

L

I

P
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P

A
|
A

E
|
E

V
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V

Y

M

T
|
T

P

P

M
x
L

Y
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Y

E

R

S

N

W
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W

I

I

Q

A

T

T

F

F

P

E

N

D

P

P

E

E

E

A

K

K

L

L

A

A

E

E

I

I

N

A

H

A

Q

K

I

V

P

P

L

L

G

G

K

R

R

R

M

F

T

T

P

P

E

D

E

E

I

I

A

A

S

D

M

T

A

A

I

V

F

F

L

L

S

S

N

P

R

R

A

A

S

S

H

H

I

T

T

T

G

G

Q

E

H

W

L

L

Y

F

V

V

D

D

G

G

Y

Y

T

T

H

H

L

L

D

D

R

R

A

A

L

L

active site: G18 (= G18), S140 (= S139), T150 (= T149), Y153 (= Y152), K157 (= K156), W194 (= W193)
binding beta-L-fucopyranose: N94 (= N92), S140 (= S139), K141 (= K140), Q147 (= Q146), Y153 (= Y152), A184 (= A183), E185 (= E184), Y191 (= Y190), W194 (= W193)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G14 (= G14), S17 (≠ K17), G18 (= G18), I19 (= I19), R39 (≠ P39), H40 (≠ S40), E63 (≠ R61), L64 (= L62), N90 (= N88), I138 (= I137), S139 (= S138), S140 (= S139), Y153 (= Y152), K157 (= K156), P183 (= P182), V186 (= V185), T188 (= T187), L190 (≠ M189), Y191 (= Y190)

4gloA Crystal structure of a short chain dehydrogenase homolog (target efi- 505321) from burkholderia multivorans, with bound NAD
59% identity, 100% coverage: 1:256/256 of query aligns to 1:257/258 of 4gloA

query
sites
4gloA

M

M

N

D

L

L

H

N

L

L

Q

Q

D

D

K

K

V

V

I

V

L

I

I

V

S

T

G
|
G

G

G

A

A

K

S

G
|
G

I
|
I

G

G

A

A

I

I

S

S

K

M

G

R

L

L

I

A

E

E

G

R

A

A

I

I

P

P

V

V

I

V

I

F

D
x
A

P
x
R

S

H

E

A

K

P

E

D

G

G

K

A

E

F

L

L

V

D

E

A

L

L

A

A

V

Q

G

R

-

Q

-

P

K

R

A

A

L

T

H

Y

L

L

P

P

W
x
V

R
x
E

L
|
L

F

Q

S

D

A

D

E

A

D

Q

C

C

E

R

K

D

A

A

V

V

L

A

E

Q

A

T

V

I

R

A

A

T

F

F

G

G

R

R

I

L

D

D

G

G

V

L

V

V

N

N

N
|
N

A
|
A

G

G

A

V

N

N

D

D

G

G

V

I

G

G

L

L

E

D

K

A

G

G

S

R

P

-

E

D

A

A

F

F

A

V

Q

A

S

S

I

L

A

E

N

R

N

N

L

L

H

I

H

H

Y

Y

S

A

L

M

V

A

H

H

F

Y

A

C

L

V

P

P

E

H

L

L

K

K

K

A

S

T

Q

R

G

G

A

A

I

I

V

V

N

N

I
|
I

S
|
S

K

K

T

T

A

A

V

V

T

T

G

G

Q

Q

G

G

G

N

T
|
T

S

S

G

G

Y
|
Y

V

C

A

A

A

S

K
|
K

G

G

A

A

Q

Q

L

L

A

A

L

L

T

T

R

R

E

E

W

W

S

A

V

V

E

A

L

L

L

R

P

E

Y

H

H

G

I

V

R

R

V

V

N

N

A

A

I

V

L

I

P
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P

A

A

E

E

V
|
V

Y

M

T

T

P

P

M
x
L

Y

Y

E

R

S

N

W

W

I

I

Q

A

T

T

F

F

P

E

N

D

P

P

E

E

E

A

K

K

L

L

A

A

E

E

I

I

N

A

H

A

Q

K

I

V

P

P

L

L

G

G

K

R

R

R

M

F

T

T

P

P

E

D

E

E

I

I

A

A

S

D

M

T

A

A

I

V

F

F

L

L

S

S

N

P

R

R

A

A

S

S

H

H

I

T

T

T

G

G

Q

E

H

W

L

L

Y

F

V

V

D

D

G

G

Y

Y

T

T

H

H

L

L

D

D

R

R

A

A

L

L

active site: G18 (= G18), S140 (= S139), T150 (= T149), Y153 (= Y152), K157 (= K156)
binding nicotinamide-adenine-dinucleotide: G14 (= G14), I19 (= I19), A38 (≠ D38), R39 (≠ P39), V62 (≠ W60), E63 (≠ R61), L64 (= L62), N90 (= N88), A91 (= A89), I138 (= I137), S139 (= S138), S140 (= S139), Y153 (= Y152), K157 (= K156), P183 (= P182), V186 (= V185), L190 (≠ M189)

4gkbB Crystal structure of a short chain dehydrogenase homolog (target efi- 505321) from burkholderia multivorans, unliganded structure
59% identity, 100% coverage: 1:256/256 of query aligns to 1:257/258 of 4gkbB

query
sites
4gkbB

M

M

N

D

L

L

H

N

L

L

Q

Q

D

D

K

K

V

V

I

V

L

I

I

V

S

T

G

G

A

A

K

S

G
|
G

I

I

G

G

A

A

I

I

S

S

K

M

G

R

L

L

I

A

E

E

G

R

A

A

I

I

P

P

V

V

I

V

I

F

D

A

P

R

S

H

E

A

K

P

E

D

G

G

K

A

E

F

L

L

V

D

E

A

L

L

A

A

V

Q

G

R

-

Q

-

P

K

R

A

A

L

T

H

Y

L

L

P

P

W

V

R

E

L

L

F

Q

S

D

A

D

E

A

D

Q

C

C

E

R

K

D

A

A

V

V

L

A

E

Q

A

T

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I

R

A

A

T

F

F

G

G

R

R

I

L

D

D

G

G

V

L

V

V

N

N

A

A

G

G

A

V

N

N

D

D

G

G

V

I

G

G

L

L

E

D

K

A

G

G

S

R

P

-

E

D

A

A

F

F

A

V

Q

A

S

S

I

L

A

E

N

R

N

N

L

L

H

I

H

H

Y

Y

S

A

L

M

V

A

H

H

F

Y

A

C

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P

E

H

L

L

K

K

K

A

S

T

Q

R

G

G

A

A

I

I

V

V

N

N

I

I

S

S

S
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S

K

K

T

T

A

A

V

V

T

T

G

G

Q

Q

G

G

G

N

T
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T

S

S

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G

Y
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Y

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C

A

A

A

S

K
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K

G

G

A

A

Q

Q

L

L

A

A

L

L

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T

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R

E

E

W

W

S

A

V

V

E

A

L

L

L

R

P

E

Y

H

H

G

I

V

R

R

V

V

N

N

A

A

I

V

L

I

P

P

A

A

E

E

V

V

Y

M

T

T

P

P

M

L

Y

Y

E

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S

N

W
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W

I

I

Q

A

T

T

F

F

P

E

N

D

P

P

E

E

E

A

K

K

L

L

A

A

E

E

I

I

N

A

H

A

Q

K

I

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P

P

L

L

G

G

K

R

R

R

M

F

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T

P

P

E

D

E

E

I

I

A

A

S

D

M

T

A

A

I

V

F

F

L

L

S

S

N
x
P

R

R

A

A

S
|
S

H

H

I

T

T

T

G

G

Q

E

H

W

L

L

Y

F

V

V

D

D

G

G

Y

Y

T

T

H

H

L

L

D

D

R

R

A

A

L

L

active site: G18 (= G18), S140 (= S139), T150 (= T149), Y153 (= Y152), K157 (= K156), W194 (= W193)
binding calcium ion: P234 (≠ N233), S237 (= S236)

A0A0H3KNE7 L-fucose dehydrogenase; EC 1.1.1.435 from Burkholderia multivorans (strain ATCC 17616 / 249) (see paper)
59% identity, 100% coverage: 1:256/256 of query aligns to 1:257/258 of A0A0H3KNE7

query
sites
A0A0H3KNE7

M

M

N

D

L

L

H

N

L

L

Q

Q

D

D

K

K

V

V

I

V

L

I

I

V

S

T

G

G

A

A

K
x
S

G

G

I
|
I

G

G

A

A

I

I

S

S

K

M

G

R

L

L

I

A

E

E

G

R

A

A

I

I

P

P

V

V

I

V

I

F

D

A

P
x
R

S
x
H

E

A

K

P

E

D

G

G

K

A

E

F

L

L

V

D

E

A

L

L

A

A

V

Q

G

R

-

Q

-

P

K

R

A

A

L

T

H

Y

L

L

P

P

W

V

R
x
E

L
|
L

F

Q

S

D

A

D

E

A

D

Q

C

C

E

R

K

D

A

A

V

V

L

A

E

Q

A

T

V

I

R

A

A

T

F

F

G

G

R

R

I

L

D

D

G

G

V

L

V

V

N

N

N
|
N

A

A

G

G

A

V

N
|
N

D

D

G

G

V

I

G

G

L

L

E

D

K

A

G

G

S

R

P

-

E

D

A

A

F

F

A

V

Q

A

S

S

I

L

A

E

N

R

N

N

L

L

H

I

H

H

Y

Y

S

A

L

M

V

A

H

H

F

Y

A

C

L

V

P

P

E

H

L

L

K

K

K

A

S

T

Q

R

G

G

A

A

I

I

V

V

N

N

I

I

S

S

S
|
S

K
|
K

T

T

A

A

V

V

T

T

G

G

Q
|
Q

G

G

G

N

T

T

S

S

G

G

Y
|
Y

V

C

A

A

A

S

K
|
K

G

G

A

A

Q

Q

L

L

A

A

L

L

T

T

R

R

E

E

W

W

S

A

V

V

E

A

L

L

L

R

P

E

Y

H

H

G

I

V

R

R

V

V

N

N

A

A

I

V

L

I

P

P

A
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A

E
|
E

V
|
V

Y

M

T
|
T

P

P

M

L

Y

Y

E

R

S

N

W

W

I

I

Q

A

T

T

F

F

P

E

N

D

P

P

E

E

E

A

K

K

L

L

A

A

E

E

I

I

N

A

H

A

Q

K

I

V

P

P

L

L

G

G

K

R

R

R

M

F

T

T

P

P

E

D

E

E

I

I

A

A

S

D

M

T

A

A

I

V

F

F

L

L

S

S

N

P

R

R

A

A

S

S

H

H

I

T

T

T

G

G

Q

E

H

W

L

L

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F

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D

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G

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Y

T

T

H

H

L

L

D

D

R

R

A

A

L

L

S17 (≠ K17) binding NADP(+)
I19 (= I19) binding NADP(+)
R39 (≠ P39) binding NADP(+)
H40 (≠ S40) binding NADP(+)
E63 (≠ R61) binding NADP(+)
L64 (= L62) binding NADP(+)
N90 (= N88) binding NADP(+)
N94 (= N92) binding beta-L-fucose
S140 (= S139) binding beta-L-fucose
K141 (= K140) binding beta-L-fucose
Q147 (= Q146) binding beta-L-fucose
Y153 (= Y152) binding beta-L-fucose; binding NADP(+)
K157 (= K156) binding NADP(+)
A184 (= A183) binding beta-L-fucose
E185 (= E184) binding beta-L-fucose
V186 (= V185) binding NADP(+)
T188 (= T187) binding NADP(+)

6ds1B Crystal structure of cj0485 dehydrogenase in complex with NADP+ (see paper)
50% identity, 100% coverage: 1:256/256 of query aligns to 1:257/260 of 6ds1B

query
sites
6ds1B

M

M

N

D

L

L

H

K

L

I

Q

K

D

N

K

K

V

V

I

C

L

I

I

I

S

T

G
|
G

G

G

A

A

K
|
K

G
|
G

I
|
I

G

G

G

Y

A

G

I

I

S

A

K

K

G

L

L

W

I

A

E

S

E

E

G

G

A

G

I

I

P

P

V

V

I

I

I

F

D
x
S

P
x
R

S

S

-

M

-

P

E

K

K

E

E

H

G

D

K

K

E

E

L

L

V

K

E

K

L

L

A

S

V

S

G

E

K

Y

A

E

L

F

H

Y

L

-

P

E

W
x
I

R
x
D

L
|
L

F

K

S

N

A

Y

E

E

D

Q

C

I

E

E

K

K

A

L

V

V

L

K

E

K

A

V

V

A

R

I

A

K

F

H

G

G

R

G

I

I

D

Y

G

A

V

L

V

V

N

N

N
|
N

A
|
A

G

G

A

T

N

N

D

D

G

N

V

L

G

H

L

I

E

E

K

N

G

T

S

S

P

T

E

Q

A

D

F

L

A

I

Q

K

S

S

I

Y

A

E

N

N

L

L

H

F

H

H

Y

Y

S

T

L

M

V

T

H

K

F

E

A

C

L

L

P

P

E

Y

L

I

K

K

S

E

Q

Q

G

G

A

S

I

I

V

L

N

N

I
|
I

S
x
V

S
|
S

K

K

T

T

A

G

V

I

T

T

G

G

Q

Q

G

G

G

R

T

T

S

S

G

A

Y
|
Y

V

A

A

S

A

A

K
|
K

G

A

A

A

Q

Q

L

M

A

G

L

F

T

T

R

R

E

E

W

W

S

A

V

C

E

A

L

F

L

A

P

K

Y

D

H

N

I

V

R

R

V

V

N

N

A

A

I

I

L

A

P
|
P

A
|
A

E

E

V
|
V

Y

M

T

T

P

P

M

L

Y

Y

E

E

S

K

W

W

I

L

Q

Q

T

N

F

F

P

P

N

N

P

P

E

K

E

E

K

Q

L

Y

A

E

E

K

I

I

N

A

H

K

Q

A

I

I

P

P

L

L

G

G

K

H

R

R

M

F

T

T

P

I

E

E

I

I

A

A

S

N

M

T

A

A

I

V

F

F

L

T

L

L

S

S

N

P

R

L

A

A

S

S

H

H

I

T

T

T

G

G

Q

Q

H

I

L

L

Y

M

V

P

D

D

G

G

Y

Y

T

V

H

H

L

L

D

D

R

R

A

A

L

L

binding magnesium ion: I61 (≠ W60), D62 (≠ R61)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G14 (= G14), K17 (= K17), G18 (= G18), I19 (= I19), S38 (≠ D38), R39 (≠ P39), D62 (≠ R61), L63 (= L62), N89 (= N88), A90 (= A89), I138 (= I137), V139 (≠ S138), S140 (= S139), Y153 (= Y152), K157 (= K156), P183 (= P182), A184 (= A183), V186 (= V185)

5l7yA 17beta-hydroxysteroid dehydrogenase 14 variant t205 in complex with a non-steroidal inhibitor. (see paper)
38% identity, 88% coverage: 25:248/256 of query aligns to 24:245/256 of 5l7yA

query
sites
5l7yA

K
x
R

G

A

L

F

I

V

E

N

E

S

G

G

A

A

I

R

P

V

V

V

I

I

I

C

D
|
D

P
x
K

S

D

E

E

K

S

E
x
G

G

G

K

R

E
x
A

L

L

V

-

E

E

L

Q

A

E

V

L

G

P

K

G

A

A

L

V

H

F

L

I

P

L

W

C

R
x
D

L
x
V

F

T

S

Q

A

E

E

D

D

D

C

V

E

K

K

T

A

L

V

V

L

S

E

E

A

T

V

I

R

R

A

R

F

F

G

G

R

R

I

L

D

D

G

C

V

V

N

N

N
|
N

A

A

G

G

A

H

N
x
H

D

P

G

P

V

P

G

Q

L

R

-

P

E

E

K

E

G

T

S

S

P

A

E

Q

A

G

F

F

A

R

Q

Q

S

L

I

L

A

E

N
x
L

N

N

L

L

H

L

H

G

Y

T

Y

Y

S

T

L

L

V

T

H

K

F

L

A

A

L

L

P

P

E

Y

L

L

K

R

K

K

S

S

Q

Q

G

G

A

N

I

V

V

I

N

N

I
|
I

S

S

S
|
S

K

L

T

V

A

G

V

A

T

I

G

G

Q
|
Q

G
x
A

G

Q

T
x
A

S

V

G

P

Y
|
Y

V

V

A

A

A

T

K
|
K

G

G

A

A

Q

V

L

T

A

A

L

M

T

T

R

K

E

A

W

L

S

A

V

L

E

D

L

E

L

S

P

P

Y

Y

H

G

I

V

R

R

V

V

N

N

A

C

I

I

L

S

P
|
P

A
x
G

E
x
N

V
x
I

Y

W

T
|
T

P

P

M
x
L

Y
x
W

E

E

S

E

W
x
L

I

A

Q

A

T

L

F

M

P

P

N

D

P

P

E

R

E

A

K

T

L

I

A

R

E

E

I

G

N

M

H

L

Q

A

I

Q

P

P

L

L

G

G

K

-

R

R

M

M

T

G

T

Q

P

P

E

A

E

E

I

V

A

G

S

A

M

A

A

A

I

V

F

F

L

L

L

A

S

S

N

E

R

-

A

A

S

N

H

F

I

C

T

T

G

G

Q

I

H

E

L

L

Y

L

V

V

D

T

G

G

active site: S138 (= S139), A148 (≠ T149), Y151 (= Y152), K155 (= K156)
binding (4-fluoranyl-3-oxidanyl-phenyl)-[6-(2-fluoranyl-3-oxidanyl-phenyl)pyridin-2-yl]methanone: R24 (≠ K25), G42 (≠ E43), A45 (≠ E46), H90 (≠ N92), S138 (= S139), Q145 (= Q146), A146 (≠ G147), Y151 (= Y152), N183 (≠ E184), W189 (≠ Y190), L192 (≠ W193)
binding nicotinamide-adenine-dinucleotide: D37 (= D38), K38 (≠ P39), D59 (≠ R61), V60 (≠ L62), N86 (= N88), L110 (≠ N111), I136 (= I137), Y151 (= Y152), K155 (= K156), P181 (= P182), G182 (≠ A183), I184 (≠ V185), T186 (= T187), L188 (≠ M189)

Sites not aligning to the query:

active site: 17
binding nicotinamide-adenine-dinucleotide: 13, 16, 17, 18

5l7tA 17beta-hydroxysteroid dehydrogenase 14 variant t205 in complex with a non-steroidal inhibitor. (see paper)
38% identity, 88% coverage: 25:248/256 of query aligns to 24:245/256 of 5l7tA

query
sites
5l7tA

K

R

G

A

L

F

I

V

E

N

E

S

G

G

A

A

I

R

P

V

V

V

I

I

I

C

D
|
D

P
x
K

S

D

E

E

K

S

E

G

G

G

K

R

E

A

L

L

V

-

E

E

L

Q

A

E

V

L

G

P

K

G

A

A

L

V

H

F

L

I

P

L

W

C

R
x
D

L
x
V

F

T

S

Q

A

E

E

D

D

D

C

V

E

K

K

T

A

L

V

V

L

S

E

E

A

T

V

I

R

R

A

R

F

F

G

G

R

R

I

L

D

D

G

C

V

V

N

N

N
|
N

A
|
A

G
|
G

A

H

N
x
H

D

P

G

P

V

P

G

Q

L

R

-

P

E

E

K

E

G

T

S

S

P

A

E

Q

A

G

F

F

A

R

Q

Q

S

L

I

L

A

E

N
x
L

N

N

L

L

H

L

H

G

Y

T

Y

Y

S

T

L

L

V

T

H

K

F

L

A

A

L

L

P

P

E

Y

L

L

K

R

K

K

S

S

Q

Q

G

G

A

N

I

V

V

I

N

N

I

I

S

S

S
|
S

K

L

T

V

A

G

V

A

T

I

G

G

Q
|
Q

G
x
A

G

Q

T
x
A

S

V

G

P

Y
|
Y

V

V

A

A

A

T

K
|
K

G

G

A

A

Q

V

L

T

A

A

L

M

T

T

R

K

E

A

W

L

S

A

V

L

E

D

L

E

L

S

P

P

Y

Y

H

G

I

V

R

R

V

V

N

N

A

C

I

I

L

S

P
|
P

A
x
G

E
x
N

V
x
I

Y

W

T
|
T

P

P

M
x
L

Y
x
W

E

E

S

E

W
x
L

I

A

Q

A

T

L

F

M

P

P

N

D

P

P

E

R

E

A

K

T

L

I

A

R

E

E

I

G

N

M

H

L

Q

A

I

Q

P

P

L

L

G

G

K

-

R

R

M

M

T

G

T

Q

P

P

E

A

E

E

I

V

A

G

S

A

M

A

A

A

I

V

F

F

L

L

L

A

S

S

N

E

R

-

A

A

S

N

H

F

I

C

T

T

G

G

Q

I

H

E

L

L

Y

L

V

V

D

T

G

G

active site: S138 (= S139), A148 (≠ T149), Y151 (= Y152), K155 (= K156)
binding (4-fluoranyl-3-oxidanyl-phenyl)-[6-(3-methyl-4-oxidanyl-phenyl)pyridin-2-yl]methanone: H90 (≠ N92), S138 (= S139), Q145 (= Q146), A146 (≠ G147), Y151 (= Y152), N183 (≠ E184), W189 (≠ Y190), L192 (≠ W193)
binding nicotinamide-adenine-dinucleotide: D37 (= D38), K38 (≠ P39), D59 (≠ R61), V60 (≠ L62), N86 (= N88), A87 (= A89), G88 (= G90), L110 (≠ N111), S138 (= S139), Y151 (= Y152), K155 (= K156), P181 (= P182), G182 (≠ A183), N183 (≠ E184), I184 (≠ V185), T186 (= T187), L188 (≠ M189)

Sites not aligning to the query:

active site: 17
binding nicotinamide-adenine-dinucleotide: 13, 16, 17, 18

6zt2A 17beta-hydroxysteroid dehydrogenase type 14 variant s205 in complex with 3-chloro-2,6-difluorophenol
38% identity, 88% coverage: 25:248/256 of query aligns to 23:244/252 of 6zt2A

query
sites
6zt2A

K

R

G

A

L

F

I

V

E

N

E

S

G

G

A

A

I

R

P

V

V

V

I

I

I

C

D
|
D

P
x
K

S

D

E

E

K

S

E

G

G

G

K

R

E

A

L

L

V

-

E

E

L

Q

A

E

V

L

G

P

K

G

A

A

L

V

H

F

L

I

P

L

W

C

R
x
D

L
x
V

F

T

S

Q

A

E

E

D

D

D

C

V

E

K

K

T

A

L

V

V

L

S

E

E

A

T

V

I

R

R

A

R

F

F

G

G

R

R

I

L

D

D

G

C

V

V

N

N

N
|
N

A

A

G

G

A

H

N
x
H

D

P

G

P

V

P

G

Q

L

R

-

P

E

E

K

E

G

T

S

S

P

A

E

Q

A

G

F

F

A

R

Q

Q

S

L

I

L

A

E

N
x
L

N

N

L

L

H

L

H

G

Y

T

Y

Y

S

T

L

L

V

T

H

K

F

L

A

A

L

L

P

P

E

Y

L

L

K

R

K

K

S

S

Q

Q

G

G

A

N

I

V

V

I

N

N

I

I

S

S

S
|
S

K

L

T

V

A

G

V

A

T

I

G

G

Q

Q

G

A

G

Q

T

A

S

V

G

P

Y
|
Y

V

V

A

A

A

T

K
|
K

G

G

A

A

Q

V

L

T

A

A

L

M

T

T

R

K

E

A

W

L

S

A

V

L

E

D

L

E

L

S

P

P

Y

Y

H

G

I

V

R

R

V

V

N

N

A

C

I

I

L

S

P
|
P

A
x
G

E
x
N

V
x
I

Y
x
W

T
|
T

P
|
P

M
x
L

Y
x
W

E
|
E

S

E

W

L

I

A

Q

A

T

L

F

M

P

P

N

D

P

P

E

R

E

A

K

S

L

I

A

R

E

E

I

G

N

M

H

L

Q

A

I

Q

P

P

L

L

G

G

K

-

R

R

M

M

T

G

T

Q

P

P

E

A

E

E

I

V

A

G

S

A

M

A

A

A

I

V

F

F

L

L

L

A

S

S

N

E

R

-

A

A

S

N

H

F

I

C

T

T

G

G

Q

I

H

E

L

L

Y

L

V

V

D

T

G

G

binding beta-D-glucopyranose: W184 (≠ Y186), T185 (= T187), P186 (= P188), E189 (= E191)
binding nicotinamide-adenine-dinucleotide: D36 (= D38), K37 (≠ P39), D58 (≠ R61), V59 (≠ L62), N85 (= N88), L109 (≠ N111), S137 (= S139), Y150 (= Y152), K154 (= K156), P180 (= P182), G181 (≠ A183), N182 (≠ E184), I183 (≠ V185), T185 (= T187), L187 (≠ M189)
binding 3-chloranyl-2,6-bis(fluoranyl)phenol: H89 (≠ N92), S137 (= S139), Y150 (= Y152), N182 (≠ E184), W188 (≠ Y190)

Sites not aligning to the query:

binding nicotinamide-adenine-dinucleotide: 12, 15, 16, 17

6zdiA 17beta-hydroxysteroid dehydrogenase type 14 variant s205 in complex with 2-fluoro-5-nitrophenol
38% identity, 88% coverage: 25:248/256 of query aligns to 23:244/252 of 6zdiA

query
sites
6zdiA

K

R

G

A

L

F

I

V

E

N

E

S

G

G

A

A

I

R

P

V

V

V

I

I

I

C

D
|
D

P
x
K

S

D

E

E

K

S

E

G

G

G

K

R

E

A

L

L

V

-

E

E

L

Q

A

E

V

L

G

P

K

G

A

A

L

V

H

F

L

I

P

L

W

C

R
x
D

L
x
V

F

T

S

Q

A

E

E

D

D

D

C

V

E

K

K

T

A

L

V

V

L

S

E

E

A

T

V

I

R

R

A

R

F

F

G

G

R

R

I

L

D

D

G

C

V

V

N

N

N
|
N

A
|
A

G

G

A

H

N
x
H

D

P

G

P

V

P

G

Q

L

R

-

P

E

E

K

E

G

T

S

S

P

A

E

Q

A

G

F

F

A

R

Q

Q

S

L

I

L

A

E

N
x
L

N

N

L

L

H

L

H

G

Y

T

Y

Y

S

T

L

L

V

T

H

K

F

L

A

A

L

L

P

P

E

Y

L

L

K

R

K

K

S

S

Q

Q

G

G

A

N

I

V

V

I

N

N

I
|
I

S

S

S
|
S

K

L

T

V

A

G

V

A

T

I

G

G

Q

Q

G

A

G

Q

T

A

S

V

G

P

Y
|
Y

V

V

A

A

A

T

K
|
K

G

G

A

A

Q

V

L

T

A

A

L

M

T

T

R

K

E

A

W

L

S

A

V

L

E

D

L

E

L

S

P

P

Y

Y

H

G

I

V

R

R

V

V

N

N

A

C

I

I

L

S

P
|
P

A
x
G

E
x
N

V
x
I

Y

W

T
|
T

P

P

M
x
L

Y
x
W

E

E

S

E

W
x
L

I

A

Q

A

T

L

F

M

P

P

N

D

P

P

E

R

E

A

K

S

L

I

A

R

E

E

I

G

N

M

H

L

Q

A

I

Q

P

P

L

L

G

G

K

-

R

R

M

M

T

G

T

Q

P

P

E

A

E

E

I

V

A

G

S

A

M

A

A

A

I

V

F

F

L

L

L

A

S

S

N

E

R

-

A

A

S

N

H

F

I

C

T

T

G

G

Q

I

H

E

L

L

Y

L

V

V

D

T

G

G

active site: S137 (= S139), Y150 (= Y152), K154 (= K156)
binding nicotinamide-adenine-dinucleotide: D36 (= D38), K37 (≠ P39), D58 (≠ R61), V59 (≠ L62), N85 (= N88), A86 (= A89), L109 (≠ N111), I135 (= I137), S137 (= S139), Y150 (= Y152), K154 (= K156), P180 (= P182), G181 (≠ A183), N182 (≠ E184), I183 (≠ V185), T185 (= T187), L187 (≠ M189)
binding 2-fluoranyl-5-nitro-phenol: H89 (≠ N92), S137 (= S139), Y150 (= Y152), L187 (≠ M189), W188 (≠ Y190), L191 (≠ W193)

Sites not aligning to the query:

active site: 16
binding nicotinamide-adenine-dinucleotide: 12, 15, 17

6zdeA 17beta-hydroxysteroid dehydrogenase type 14 variant s205 in complex with pentafluorophenol
38% identity, 88% coverage: 25:248/256 of query aligns to 23:244/252 of 6zdeA

query
sites
6zdeA

K

R

G

A

L

F

I

V

E

N

E

S

G

G

A

A

I

R

P

V

V

V

I

I

I

C

D
|
D

P
x
K

S

D

E

E

K

S

E

G

G

G

K

R

E

A

L

L

V

-

E

E

L

Q

A

E

V

L

G

P

K

G

A

A

L

V

H

F

L

I

P

L

W

C

R
x
D

L
x
V

F

T

S

Q

A

E

E

D

D

D

C

V

E

K

K

T

A

L

V

V

L

S

E

E

A

T

V

I

R

R

A

R

F

F

G

G

R

R

I

L

D

D

G

C

V

V

N

N

N
|
N

A

A

G

G

A

H

N
x
H

D

P

G

P

V

P

G

Q

L

R

-

P

E

E

K

E

G

T

S

S

P

A

E

Q

A

G

F

F

A

R

Q

Q

S

L

I

L

A

E

N
x
L

N

N

L

L

H

L

H

G

Y

T

Y

Y

S

T

L

L

V

T

H

K

F

L

A

A

L

L

P

P

E

Y

L

L

K

R

K

K

S

S

Q

Q

G

G

A

N

I

V

V

I

N

N

I

I

S

S

S
|
S

K

L

T

V

A

G

V

A

T

I

G

G

Q

Q

G

A

G

Q

T

A

S

V

G

P

Y
|
Y

V

V

A

A

A

T

K
|
K

G

G

A

A

Q

V

L

T

A

A

L

M

T

T

R

K

E

A

W

L

S

A

V

L

E

D

L

E

L

S

P

P

Y

Y

H

G

I

V

R

R

V

V

N

N

A

C

I

I

L

S

P
|
P

A
x
G

E
x
N

V
x
I

Y

W

T
|
T

P

P

M
x
L

Y
x
W

E

E

S

E

W

L

I

A

Q

A

T

L

F

M

P

P

N

D

P

P

E

R

E

A

K

S

L

I

A

R

E

E

I

G

N

M

H

L

Q

A

I

Q

P

P

L

L

G

G

K

-

R

R

M

M

T

G

T

Q

P

P

E

A

E

E

I

V

A

G

S

A

M

A

A

A

I

V

F

F

L

L

L

A

S

S

N

E

R

-

A

A

S

N

H

F

I

C

T

T

G

G

Q

I

H

E

L

L

Y

L

V

V

D

T

G

G

active site: S137 (= S139), Y150 (= Y152), K154 (= K156)
binding nicotinamide-adenine-dinucleotide: D36 (= D38), K37 (≠ P39), D58 (≠ R61), V59 (≠ L62), N85 (= N88), L109 (≠ N111), S137 (= S139), Y150 (= Y152), K154 (= K156), P180 (= P182), G181 (≠ A183), N182 (≠ E184), I183 (≠ V185), T185 (= T187), L187 (≠ M189)
binding 2,3,4,5,6-pentakis(fluoranyl)phenol: H89 (≠ N92), S137 (= S139), Y150 (= Y152), L187 (≠ M189), W188 (≠ Y190)

Sites not aligning to the query:

active site: 16
binding nicotinamide-adenine-dinucleotide: 12, 15, 16, 17

6qckA 17beta-hydroxysteroid dehydrogenase 14 variant t205 in complex with fb262 (see paper)
38% identity, 88% coverage: 25:248/256 of query aligns to 24:245/258 of 6qckA

query
sites
6qckA

K

R

G

A

L

F

I

V

E

N

E

S

G

G

A

A

I

R

P

V

V

V

I

I

I

C

D
|
D

P
x
K

S

D

E

E

K

S

E

G

G

G

K

R

E

A

L

L

V

-

E

E

L

Q

A

E

V

L

G

P

K

G

A

A

L

V

H

F

L

I

P

L

W

C

R
x
D

L
x
V

F

T

S

Q

A

E

E

D

D

D

C

V

E

K

K

T

A

L

V

V

L

S

E

E

A

T

V

I

R

R

A

R

F

F

G

G

R

R

I

L

D

D

G

C

V

V

N

N

N
|
N

A

A

G

G

A

H

N
x
H

D

P

G

P

V
x
P

G

Q

L

R

-

P

E

E

K

E

G

T

S

S

P

A

E

Q

A

G

F

F

A

R

Q

Q

S

L

I

L

A

E

N
x
L

N

N

L

L

H

L

H

G

Y

T

Y

Y

S

T

L

L

V

T

H

K

F

L

A

A

L

L

P

P

E

Y

L

L

K

R

K

K

S

S

Q

Q

G

G

A

N

I

V

V

I

N

N

I

I

S

S

S
|
S

K

L

T

V

A

G

V

A

T

I

G

G

Q
|
Q

G

A

G

Q

T

A

S

V

G

P

Y
|
Y

V

V

A

A

A

T

K
|
K

G

G

A

A

Q

V

L

T

A

A

L

M

T

T

R

K

E

A

W

L

S

A

V

L

E

D

L

E

L

S

P

P

Y

Y

H

G

I

V

R

R

V

V

N

N

A

C

I

I

L

S

P
|
P

A
x
G

E
x
N

V
x
I

Y
x
W

T
|
T

P
|
P

M
x
L

Y
x
W

E
|
E

S

E

W
x
L

I

A

Q

A

T

L

F

M

P

P

N

D

P

P

E

R

E

A

K

T

L

I

A

R

E

E

I

G

N

M

H

L

Q

A

I

Q

P

P

L

L

G

G

K

-

R

R

M

M

T

G

T

Q

P

P

E

A

E

E

I

V

A

G

S

A

M

A

A

A

I

V

F

F

L

L

L

A

S

S

N

E

R

-

A

A

S

N

H

F

I

C

T

T

G

G

Q

I

H

E

L

L

Y

L

V

V

D

T

G

G

active site: S138 (= S139), Y151 (= Y152), K155 (= K156)
binding beta-D-glucopyranose: W185 (≠ Y186), T186 (= T187), P187 (= P188), E190 (= E191)
binding 2-[2-(1,3-benzodioxol-2-yl)ethyl]benzoic acid: H90 (≠ N92), P93 (≠ V95), S138 (= S139), Q145 (= Q146), Y151 (= Y152), L188 (≠ M189), W189 (≠ Y190), L192 (≠ W193)
binding nicotinamide-adenine-dinucleotide: D37 (= D38), K38 (≠ P39), D59 (≠ R61), V60 (≠ L62), N86 (= N88), L110 (≠ N111), S138 (= S139), Y151 (= Y152), K155 (= K156), P181 (= P182), G182 (≠ A183), N183 (≠ E184), I184 (≠ V185), T186 (= T187), L188 (≠ M189)

Sites not aligning to the query:

active site: 17
binding nicotinamide-adenine-dinucleotide: 13, 16, 18

5icmA 17beta-hydroxysteroid dehydrogenase type 14 in complex with a non- steroidal inhibitor (see paper)
38% identity, 88% coverage: 25:248/256 of query aligns to 23:244/255 of 5icmA

query
sites
5icmA

K

R

G

A

L

F

I

V

E

N

E

S

G

G

A

A

I

R

P

V

V

V

I

I

I

C

D
|
D

P
x
K

S

D

E

E

K

S

E

G

G

G

K

R

E

A

L

L

V

-

E

E

L

Q

A

E

V

L

G

P

K

G

A

A

L

V

H

F

L

I

P

L

W

C

R
x
D

L
x
V

F

T

S

Q

A

E

E

D

D

D

C

V

E

K

K

T

A

L

V

V

L

S

E

E

A

T

V

I

R

R

A

R

F

F

G

G

R

R

I

L

D

D

G

C

V

V

N

N

N
|
N

A

A

G

G

A

H

N
x
H

D

P

G

P

V
x
P

G

Q

L

R

-

P

E

E

K

E

G

T

S

S

P

A

E

Q

A

G

F

F

A

R

Q

Q

S

L

I

L

A

E

N
x
L

N

N

L

L

H

L

H

G

Y

T

Y

Y

S

T

L

L

V

T

H

K

F

L

A

A

L

L

P

P

E

Y

L

L

K

R

K

K

S

S

Q

Q

G

G

A

N

I

V

V

I

N

N

I

I

S

S

S
|
S

K

L

T

V

A

G

V

A

T

I

G

G

Q
|
Q

G
x
A

G
x
Q

T
x
A

S

V

G

P

Y
|
Y

V

V

A

A

A

T

K
|
K

G

G

A

A

Q

V

L

T

A

A

L

M

T

T

R

K

E

A

W

L

S

A

V

L

E

D

L

E

L

S

P

P

Y

Y

H

G

I

V

R

R

V

V

N

N

A

C

I

I

L

S

P
|
P

A
x
G

E
x
N

V
x
I

Y
x
W

T
|
T

P
|
P

M
x
L

Y
x
W

E
|
E

S

E

W
x
L

I

A

Q

A

T

L

F

M

P

P

N

D

P

P

E

R

E

A

K

T

L

I

A

R

E

E

I

G

N

M

H

L

Q

A

I

Q

P

P

L

L

G

G

K

-

R

R

M

M

T

G

T

Q

P

P

E

A

E

E

I

V

A

G

S

A

M

A

A

A

I

V

F

F

L

L

L

A

S

S

N

E

R

-

A

A

S

N

H

F

I

C

T

T

G

G

Q

I

H

E

L

L

Y

L

V

V

D

T

G

G

active site: S137 (= S139), A147 (≠ T149), Y150 (= Y152), K154 (= K156)
binding [6-(3,4-dihydroxyphenyl)pyridin-2-yl](4-fluoro-3-hydroxyphenyl)methanone: H89 (≠ N92), P92 (≠ V95), S137 (= S139), Q144 (= Q146), A145 (≠ G147), Q146 (≠ G148), Y150 (= Y152), N182 (≠ E184), W188 (≠ Y190), L191 (≠ W193)
binding alpha-D-glucopyranose: W184 (≠ Y186), T185 (= T187), P186 (= P188), E189 (= E191)
binding nicotinamide-adenine-dinucleotide: D36 (= D38), K37 (≠ P39), D58 (≠ R61), V59 (≠ L62), N85 (= N88), L109 (≠ N111), S137 (= S139), Y150 (= Y152), K154 (= K156), P180 (= P182), G181 (≠ A183), N182 (≠ E184), I183 (≠ V185), T185 (= T187), L187 (≠ M189)

Sites not aligning to the query:

active site: 16
binding nicotinamide-adenine-dinucleotide: 12, 15, 16, 17

5o43A 17beta-hydroxysteroid dehydrogenase 14 variant t205 in complex with a non-steroidal 2,6-pyridinketone inhibitor. (see paper)
38% identity, 88% coverage: 25:248/256 of query aligns to 24:245/253 of 5o43A

query
sites
5o43A

K

R

G

A

L

F

I

V

E

N

E

S

G

G

A

A

I

R

P

V

V

V

I

I

I

C

D
|
D

P
x
K

S

D

E

E

K

S

E

G

G

G

K

R

E

A

L

L

V

-

E

E

L

Q

A

E

V

L

G

P

K

G

A

A

L

V

H

F

L

I

P

L

W

C

R
x
D

L
x
V

F

T

S

Q

A

E

E

D

D

D

C

V

E

K

K

T

A

L

V

V

L

S

E

E

A

T

V

I

R

R

A

R

F

F

G

G

R

R

I

L

D

D

G

C

V

V

N

N

N
|
N

A

A

G

G

A

H

N
x
H

D

P

G

P

V

P

G

Q

L

R

-

P

E

E

K

E

G

T

S

S

P

A

E

Q

A

G

F

F

A

R

Q

Q

S

L

I

L

A

E

N
x
L

N

N

L

L

H

L

H

G

Y

T

Y

Y

S

T

L

L

V

T

H

K

F

L

A

A

L

L

P

P

E

Y

L

L

K

R

K

K

S

S

Q

Q

G

G

A

N

I

V

V

I

N

N

I

I

S

S

S
|
S

K

L

T

V

A

G

V

A

T

I

G

G

Q
|
Q

G
x
A

G
x
Q

T

A

S

V

G

P

Y
|
Y

V

V

A

A

A

T

K
|
K

G

G

A

A

Q

V

L

T

A

A

L

M

T

T

R

K

E

A

W

L

S

A

V

L

E

D

L

E

L

S

P

P

Y

Y

H

G

I

V

R

R

V

V

N

N

A

C

I

I

L

S

P
|
P

A
x
G

E
x
N

V
x
I

Y
x
W

T
|
T

P
|
P

M
x
L

Y
x
W

E
|
E

S

E

W
x
L

I

A

Q

A

T

L

F

M

P

P

N

D

P

P

E

R

E

A

K

T

L

I

A

R

E

E

I

G

N

M

H

L

Q

A

I

Q

P

P

L

L

G

G

K

-

R

R

M

M

T

G

T

Q

P

P

E

A

E

E

I

V

A

G

S

A

M

A

A

A

I

V

F

F

L

L

L

A

S

S

N

E

R

-

A

A

S

N

H

F

I

C

T

T

G

G

Q

I

H

E

L

L

Y

L

V

V

D

T

G

G

active site: S138 (= S139), Y151 (= Y152), K155 (= K156)
binding 2-fluoranyl-3-[6-[(4-fluoranyl-3-oxidanyl-phenyl)-methyl-amino]pyridin-2-yl]phenol: H90 (≠ N92), S138 (= S139), Q145 (= Q146), A146 (≠ G147), Q147 (≠ G148), Y151 (= Y152), N183 (≠ E184), W189 (≠ Y190), L192 (≠ W193)
binding beta-D-glucopyranose: W185 (≠ Y186), T186 (= T187), P187 (= P188), E190 (= E191)
binding nicotinamide-adenine-dinucleotide: D37 (= D38), K38 (≠ P39), D59 (≠ R61), V60 (≠ L62), N86 (= N88), L110 (≠ N111), Y151 (= Y152), K155 (= K156), P181 (= P182), G182 (≠ A183), N183 (≠ E184), I184 (≠ V185), T186 (= T187), L188 (≠ M189)

Sites not aligning to the query:

active site: 17
binding nicotinamide-adenine-dinucleotide: 13, 16, 17, 18

5hs6A Human 17beta-hydroxysteroid dehydrogenase type 14 in complex with estrone (see paper)
38% identity, 88% coverage: 25:248/256 of query aligns to 24:245/257 of 5hs6A

query
sites
5hs6A

K

R

G

A

L

F

I

V

E

N

E

S

G

G

A

A

I

R

P

V

V

V

I

I

I

C

D
|
D

P
x
K

S

D

E

E

K

S

E

G

G

G

K

R

E

A

L

L

V

-

E

E

L

Q

A

E

V

L

G

P

K

G

A

A

L

V

H

F

L

I

P

L

W

C

R
x
D

L

V

F

T

S

Q

A

E

E

D

D

D

C

V

E

K

K

T

A

L

V

V

L

S

E

E

A

T

V

I

R

R

A

R

F

F

G

G

R

R

I

L

D

D

G

C

V

V

N

N

N
|
N

A

A

G

G

A

H

N
x
H

D

P

G

P

V

P

G

Q

L

R

-

P

E

E

K

E

G

T

S

S

P

A

E

Q

A

G

F

F

A

R

Q

Q

S

L

I

L

A

E

N
x
L

N

N

L

L

H

L

H

G

Y

T

Y

Y

S

T

L

L

V

T

H

K

F

L

A

A

L

L

P

P

E

Y

L

L

K

R

K

K

S

S

Q

Q

G

G

A

N

I

V

V

I

N

N

I

I

S

S

S
|
S

K

L

T

V

A

G

V

A

T

I

G

G

Q
|
Q

G

A

G

Q

T
x
A

S

V

G

P

Y
|
Y

V

V

A

A

A

T

K
|
K

G

G

A

A

Q

V

L

T

A

A

L

M

T

T

R

K

E

A

W

L

S

A

V

L

E

D

L

E

L

S

P

P

Y

Y

H

G

I

V

R

R

V

V

N

N

A

C

I

I

L

S

P
|
P

A
x
G

E
x
N

V
x
I

Y

W

T
|
T

P

P

M
x
L

Y

W

E

E

S

E

W
x
L

I

A

Q

A

T

L

F

M

P

P

N

D

P

P

E

R

E

A

K

T

L

I

A

R

E

E

I

G

N

M

H

L

Q

A

I

Q

P

P

L

L

G

G

K

-

R

R

M

M

T

G

T

Q

P

P

E

A

E

E

I

V

A

G

S

A

M

A

A

A

I

V

F

F

L

L

L

A

S

S

N

E

R

-

A

A

S

N

H

F

I

C

T

T

G

G

Q

I

H

E

L

L

Y

L

V

V

D

T

G

G

active site: S138 (= S139), A148 (≠ T149), Y151 (= Y152), K155 (= K156)
binding (9beta,13alpha)-3-hydroxyestra-1,3,5(10)-trien-17-one: H90 (≠ N92), Q145 (= Q146), Y151 (= Y152), L192 (≠ W193)
binding nicotinamide-adenine-dinucleotide: D37 (= D38), K38 (≠ P39), D59 (≠ R61), N86 (= N88), L110 (≠ N111), S138 (= S139), Y151 (= Y152), K155 (= K156), P181 (= P182), G182 (≠ A183), N183 (≠ E184), I184 (≠ V185), T186 (= T187), L188 (≠ M189)

Sites not aligning to the query:

active site: 17
binding nicotinamide-adenine-dinucleotide: 13, 16, 17, 18

Q9BPX1 L-fucose dehydrogenase; 17-beta-hydroxysteroid dehydrogenase DHRS10; Dehydrogenase/reductase SDR family member 10; Retinal short-chain dehydrogenase/reductase retSDR3; Short chain dehydrogenase/reductase family 47C member 1; EC 1.1.1.122 from Homo sapiens (Human) (see 4 papers)
38% identity, 88% coverage: 25:248/256 of query aligns to 27:248/270 of Q9BPX1

query
sites
Q9BPX1

K

R

G

A

L

F

I

V

E

N

E

S

G

G

A

A

I

R

P

V

V

V

I

I

I

C

D
|
D

P
x
K

S

D

E

E

K

S

E

G

G

G

K

R

E

A

L

L

V

-

E

E

L

Q

A

E

V

L

G

P

K

G

A

A

L

V

H

F

L

I

P

L

W

C

R
x
D

L
x
V

F

T

S

Q

A

E

E

D

D

D

C

V

E

K

K

T

A

L

V

V

L

S

E

E

A

T

V

I

R

R

A

R

F

F

G

G

R

R

I

L

D

D

G

C

V

V

N

N

A

A

G

G

A

H

N
x
H

D

P

G

P

V

P

G

Q

L

R

-

P

E

E

K

E

G

T

S

S

P

A

E

Q

A

G

F

F

A

R

Q

Q

S

L

I

L

A

E

N

L

N

N

L

L

H

L

H

G

Y

T

Y

Y

S

T

L

L

V

T

H

K

F

L

A

A

L

L

P

P

E

Y

L

L

K

R

K

K

S

S

Q

Q

G

G

A

N

I

V

V

I

N

N

I

I

S

S

K

L

T

V

A

G

V

A

T

I

G

G

Q
|
Q

G

A

G

Q

T

A

S

V

G

P

Y
|
Y

V

V

A

A

A

T

K
|
K

G

G

A

A

Q

V

L

T

A

A

L

M

T

T

R

K

E

A

W

L

S

A

V

L

E

D

L

E

L

S

P

P

Y

Y

H

G

I

V

R

R

V

V

N

N

A

C

I

I

L

S

P

P

A

G

E

N

V
x
I

Y

W

T
|
T

P

P

M
x
L

Y

W

E

E

S

E

W

L

I

A

Q

A

T

L

F

M

P

P

N

D

P

P

E

R

E

A

K

T

L

I

A

R

E

E

I

G

N

M

H

L

Q

A

I

Q

P

P

L

L

G

G

K

-

R

R

M

M

T

G

T

Q

P

P

E

A

E

E

I

V

A

G

S

A

M

A

A

A

I

V

F

F

L

L

L

A

S

S

N

E

R

-

A

A

S

N

H

F

I

C

T

T

G

G

Q

I

H

E

L

L

Y

L

V

V

D

T

G

G

D40 (= D38) binding NAD(+)
K41 (≠ P39) binding NAD(+)
D62 (≠ R61) binding NAD(+)
V63 (≠ L62) binding NAD(+)
H93 (≠ N92) mutation to A: Increases kcat for androst-5-en-3beta,17beta-diol and 17beta-estradioll.
Q148 (= Q146) mutation to A: The catalytic efficiency (kcat/Km) is 30-fold increase for 17beta-estradiol and 11-fold for androst-5-en-3beta,17beta-diol.
Y154 (= Y152) binding NAD(+)
K158 (= K156) binding NAD(+); mutation to A: Lacks of activity of testosterone 17-beta-dehydrogenase (NADP+) and estradiol 17-beta-dehydrogenase [NAD(P)+] activities.
I187 (≠ V185) binding NAD(+)
T189 (= T187) binding NAD(+)
L191 (≠ M189) binding NAD(+)

Sites not aligning to the query:

19 binding NAD(+)
21 binding NAD(+)
253 Y→A: Lacks of activity of testosterone 17-beta-dehydrogenase (NADP+) and estradiol 17-beta-dehydrogenase [NAD(P)+] activities.
255 C→A: Does not affect kcat for androst-5-en-3beta,17beta-diol and 17beta-estradiol.

5o72A 17beta-hydroxysteroid dehydrogenase 14 variant t205 in complex with a non-steroidal quinoline based inhibitor (see paper)
38% identity, 88% coverage: 25:248/256 of query aligns to 23:244/255 of 5o72A

query
sites
5o72A

K

R

G

A

L

F

I

V

E

N

E

S

G

G

A

A

I

R

P

V

V

V

I

I

I

C

D
|
D

P
x
K

S

D

E

E

K

S

E

G

G

G

K

R

E

A

L

L

V

-

E

E

L

Q

A

E

V

L

G

P

K

G

A

A

L

V

H

F

L

I

P

L

W

C

R
x
D

L
x
V

F

T

S

Q

A

E

E

D

D

D

C

V

E

K

K

T

A

L

V

V

L

S

E

E

A

T

V

I

R

R

A

R

F

F

G

G

R

R

I

L

D

D

G

C

V

V

N

N

N
|
N

A

A

G

G

A

H

N
x
H

D

P

G

P

V

P

G

Q

L

R

-

P

E

E

K

E

G

T

S

S

P

A

E

Q

A

G

F

F

A

R

Q

Q

S

L

I

L

A

E

N
x
L

N

N

L

L

H

L

H

G

Y

T

Y

Y

S

T

L

L

V

T

H

K

F

L

A

A

L

L

P

P

E

Y

L

L

K

R

K

K

S

S

Q

Q

G

G

A

N

I

V

V

I

N

N

I

I

S

S

S
|
S

K

L

T

V

A

G

V

A

T

I

G

G

Q

Q

G

A

G

Q

T

A

S

V

G

P

Y
|
Y

V

V

A

A

A

T

K
|
K

G

G

A

A

Q

V

L

T

A

A

L

M

T

T

R

K

E

A

W

L

S

A

V

L

E

D

L

E

L

S

P

P

Y

Y

H

G

I

V

R

R

V

V

N

N

A

C

I

I

L

S

P
|
P

A
x
G

E
x
N

V
x
I

Y

W

T
|
T

P

P

M
x
L

Y
x
W

E

E

S

E

W
x
L

I

A

Q

A

T

L

F

M

P

P

N

D

P

P

E

R

E

A

K

T

L

I

A

R

E

E

I

G

N

M

H

L

Q

A

I

Q

P

P

L

L

G

G

K

-

R

R

M

M

T

G

T

Q

P

P

E

A

E

E

I

V

A

G

S

A

M

A

A

A

I

V

F

F

L

L

L

A

S

S

N

E

R

-

A

A

S

N

H

F

I

C

T

T

G

G

Q

I

H

E

L

L

Y

L

V

V

D

T

G

G

active site: S137 (= S139), Y150 (= Y152), K154 (= K156)
binding 2-azanyl-~{N}-[2-(4-fluoranyl-3-oxidanyl-phenyl)carbonylquinolin-7-yl]ethanamide: H89 (≠ N92), S137 (= S139), Y150 (= Y152), N182 (≠ E184), W188 (≠ Y190), L191 (≠ W193)
binding nicotinamide-adenine-dinucleotide: D36 (= D38), K37 (≠ P39), D58 (≠ R61), V59 (≠ L62), N85 (= N88), L109 (≠ N111), Y150 (= Y152), K154 (= K156), P180 (= P182), G181 (≠ A183), N182 (≠ E184), I183 (≠ V185), T185 (= T187), L187 (≠ M189)

Sites not aligning to the query:

active site: 16
binding nicotinamide-adenine-dinucleotide: 12, 15, 16, 17

5o6oA 17beta-hydroxysteroid dehydrogenase 14 variant t205 in complex with a non-steroidal 2,6-pyridinketone inhibitor (see paper)
38% identity, 88% coverage: 25:248/256 of query aligns to 24:245/256 of 5o6oA

query
sites
5o6oA

K

R

G

A

L

F

I

V

E

N

E

S

G

G

A

A

I

R

P

V

V

V

I

I

I

C

D
|
D

P
x
K

S

D

E

E

K

S

E

G

G

G

K

R

E

A

L

L

V

-

E

E

L

Q

A

E

V

L

G

P

K

G

A

A

L

V

H

F

L

I

P

L

W

C

R
x
D

L
x
V

F

T

S

Q

A

E

E

D

D

D

C

V

E

K

K

T

A

L

V

V

L

S

E

E

A

T

V

I

R

R

A

R

F

F

G

G

R

R

I

L

D

D

G

C

V

V

N

N

N
|
N

A

A

G

G

A

H

N
x
H

D

P

G

P

V

P

G

Q

L

R

-

P

E

E

K

E

G

T

S

S

P

A

E

Q

A

G

F

F

A

R

Q

Q

S

L

I

L

A

E

N
x
L

N

N

L

L

H

L

H

G

Y

T

Y

Y

S

T

L

L

V

T

H

K

F

L

A

A

L

L

P

P

E

Y

L

L

K

R

K

K

S

S

Q

Q

G

G

A

N

I

V

V

I

N

N

I

I

S

S

S
|
S

K

L

T

V

A

G

V

A

T

I

G

G

Q
|
Q

G
x
A

G
x
Q

T

A

S

V

G

P

Y
|
Y

V

V

A

A

A

T

K
|
K

G

G

A

A

Q

V

L

T

A

A

L

M

T

T

R

K

E

A

W

L

S

A

V

L

E

D

L

E

L

S

P

P

Y

Y

H

G

I

V

R

R

V

V

N

N

A

C

I

I

L

S

P
|
P

A
x
G

E
x
N

V
x
I

Y
x
W

T
|
T

P
|
P

M
x
L

Y
x
W

E
|
E

S

E

W
x
L

I

A

Q

A

T

L

F

M

P

P

N

D

P

P

E

R

E

A

K

T

L

I

A

R

E

E

I

G

N

M

H

L

Q

A

I

Q

P

P

L

L

G

G

K

-

R

R

M

M

T

G

T

Q

P

P

E

A

E

E

I

V

A

G

S

A

M

A

A

A

I

V

F

F

L

L

L

A

S

S

N

E

R

-

A

A

S

N

H

F

I

C

T

T

G

G

Q

I

H

E

L

L

Y

L

V

V

D

T

G

G

active site: S138 (= S139), Y151 (= Y152), K155 (= K156)
binding 2-fluoranyl-3-[6-(4-fluoranyl-3-oxidanyl-phenoxy)pyridin-2-yl]phenol: H90 (≠ N92), S138 (= S139), Q145 (= Q146), A146 (≠ G147), Q147 (≠ G148), Y151 (= Y152), N183 (≠ E184), W189 (≠ Y190), L192 (≠ W193)
binding beta-D-glucopyranose: W185 (≠ Y186), T186 (= T187), P187 (= P188), E190 (= E191)
binding nicotinamide-adenine-dinucleotide: D37 (= D38), K38 (≠ P39), D59 (≠ R61), V60 (≠ L62), N86 (= N88), L110 (≠ N111), S138 (= S139), Y151 (= Y152), K155 (= K156), P181 (= P182), G182 (≠ A183), N183 (≠ E184), I184 (≠ V185), T186 (= T187), L188 (≠ M189)

Sites not aligning to the query:

active site: 17
binding nicotinamide-adenine-dinucleotide: 13, 16, 17, 18

5o42A 17beta-hydroxysteroid dehydrogenase 14 variant t205 in complex with a non-steroidal 2,6-pyridinketone inhibitor. (see paper)
38% identity, 88% coverage: 25:248/256 of query aligns to 24:245/256 of 5o42A

query
sites
5o42A

K

R

G

A

L

F

I

V

E

N

E

S

G

G

A

A

I

R

P

V

V

V

I

I

I

C

D
|
D

P
x
K

S

D

E

E

K

S

E

G

G

G

K

R

E

A

L

L

V

-

E

E

L

Q

A

E

V

L

G

P

K

G

A

A

L

V

H

F

L

I

P

L

W

C

R
x
D

L
x
V

F

T

S

Q

A

E

E

D

D

D

C

V

E

K

K

T

A

L

V

V

L

S

E

E

A

T

V

I

R

R

A

R

F

F

G

G

R

R

I

L

D

D

G

C

V

V

N

N

N
|
N

A

A

G
|
G

A

H

N
x
H

D

P

G

P

V
x
P

G

Q

L

R

-

P

E

E

K

E

G

T

S

S

P

A

E

Q

A

G

F

F

A

R

Q

Q

S

L

I

L

A

E

N
x
L

N

N

L

L

H

L

H

G

Y

T

Y

Y

S

T

L

L

V

T

H

K

F

L

A

A

L

L

P

P

E

Y

L

L

K

R

K

K

S

S

Q

Q

G

G

A

N

I

V

V

I

N

N

I

I

S

S

S
|
S

K

L

T

V

A

G

V

A

T

I

G

G

Q
|
Q

G
x
A

G

Q

T

A

S

V

G

P

Y
|
Y

V

V

A

A

A

T

K
|
K

G

G

A

A

Q

V

L

T

A

A

L

M

T

T

R

K

E

A

W

L

S

A

V

L

E

D

L

E

L

S

P

P

Y

Y

H

G

I

V

R

R

V

V

N

N

A

C

I

I

L

S

P
|
P

A
x
G

E
x
N

V
x
I

Y
x
W

T
|
T

P
|
P

M
x
L

Y
x
W

E
|
E

S

E

W
x
L

I

A

Q

A

T

L

F

M

P

P

N

D

P

P

E

R

E

A

K

T

L

I

A

R

E

E

I

G

N

M

H

L

Q

A

I

Q

P

P

L

L

G

G

K

-

R

R

M

M

T

G

T

Q

P

P

E

A

E

E

I

V

A

G

S

A

M

A

A

A

I

V

F

F

L

L

L

A

S

S

N

E

R

-

A

A

S

N

H

F

I

C

T

T

G

G

Q

I

H

E

L

L

Y

L

V

V

D

T

G

G

active site: S138 (= S139), Y151 (= Y152), K155 (= K156)
binding 2-fluoranyl-3-[6-[1-(4-fluoranyl-3-oxidanyl-phenyl)ethenyl]pyridin-2-yl]phenol: H90 (≠ N92), P93 (≠ V95), S138 (= S139), Q145 (= Q146), A146 (≠ G147), Y151 (= Y152), N183 (≠ E184), W189 (≠ Y190), L192 (≠ W193)
binding beta-D-glucopyranose: W185 (≠ Y186), T186 (= T187), P187 (= P188), E190 (= E191)
binding nicotinamide-adenine-dinucleotide: D37 (= D38), K38 (≠ P39), D59 (≠ R61), V60 (≠ L62), N86 (= N88), G88 (= G90), L110 (≠ N111), S138 (= S139), Y151 (= Y152), K155 (= K156), P181 (= P182), G182 (≠ A183), N183 (≠ E184), I184 (≠ V185), T186 (= T187), L188 (≠ M189)

Sites not aligning to the query:

active site: 17
binding beta-D-glucopyranose: 17
binding nicotinamide-adenine-dinucleotide: 13, 16, 18

6gtbA 17beta-hydroxysteroid dehydrogenase 14 variant t205 in complex with fb211
38% identity, 88% coverage: 25:248/256 of query aligns to 24:245/257 of 6gtbA

query
sites
6gtbA

K

R

G

A

L

F

I

V

E

N

E

S

G

G

A

A

I

R

P

V

V

V

I

I

I

C

D
|
D

P
x
K

S

D

E

E

K

S

E

G

G

G

K

R

E

A

L

L

V

-

E

E

L

Q

A

E

V

L

G

P

K

G

A

A

L

V

H

F

L

I

P

L

W

C

R
x
D

L
x
V

F

T

S

Q

A

E

E

D

D

D

C

V

E

K

K

T

A

L

V

V

L

S

E

E

A

T

V

I

R

R

A

R

F

F

G

G

R

R

I

L

D

D

G

C

V

V

N

N

N
|
N

A

A

G

G

A

H

N
x
H

D

P

G

P

V
x
P

G

Q

L

R

-

P

E

E

K

E

G

T

S

S

P

A

E

Q

A

G

F

F

A

R

Q

Q

S

L

I

L

A

E

N
x
L

N

N

L

L

H

L

H

G

Y

T

Y

Y

S

T

L

L

V

T

H

K

F

L

A

A

L

L

P

P

E

Y

L

L

K

R

K

K

S

S

Q

Q

G

G

A

N

I

V

V

I

N

N

I

I

S

S

S
|
S

K

L

T

V

A

G

V

A

T

I

G

G

Q
|
Q

G
x
A

G
x
Q

T

A

S

V

G

P

Y
|
Y

V

V

A

A

A

T

K
|
K

G

G

A

A

Q

V

L

T

A

A

L

M

T

T

R

K

E

A

W

L

S

A

V

L

E

D

L

E

L

S

P

P

Y

Y

H

G

I

V

R

R

V

V

N

N

A

C

I

I

L

S

P
|
P

A
x
G

E
x
N

V
x
I

Y
x
W

T
|
T

P
|
P

M
x
L

Y
x
W

E
|
E

S

E

W
x
L

I

A

Q

A

T

L

F
x
M

P

P

N

D

P

P

E

R

E

A

K

T

L

I

A

R

E

E

I

G

N

M

H

L

Q

A

I

Q

P

P

L

L

G

G

K

-

R

R

M

M

T

G

T

Q

P

P

E

A

E

E

I

V

A

G

S

A

M

A

A

A

I

V

F

F

L

L

L

A

S

S

N

E

R

-

A

A

S

N

H

F

I

C

T

T

G

G

Q

I

H

E

L

L

Y

L

V

V

D

T

G

G

active site: S138 (= S139), Y151 (= Y152), K155 (= K156)
binding beta-D-glucopyranose: W185 (≠ Y186), T186 (= T187), P187 (= P188), E190 (= E191)
binding 3-[6-(3-hydroxyphenyl)pyridin-2-yl]benzoic acid: H90 (≠ N92), P93 (≠ V95), S138 (= S139), Q145 (= Q146), A146 (≠ G147), Q147 (≠ G148), Y151 (= Y152), W189 (≠ Y190), L192 (≠ W193), M196 (≠ F197)
binding nicotinamide-adenine-dinucleotide: D37 (= D38), K38 (≠ P39), D59 (≠ R61), V60 (≠ L62), N86 (= N88), L110 (≠ N111), S138 (= S139), Y151 (= Y152), K155 (= K156), P181 (= P182), G182 (≠ A183), N183 (≠ E184), I184 (≠ V185), T186 (= T187), L188 (≠ M189)

Sites not aligning to the query:

active site: 17
binding beta-D-glucopyranose: 17
binding nicotinamide-adenine-dinucleotide: 13, 16, 17, 18

5o7cA 17beta-hydroxysteroid dehydrogenase 14 variant t205 in complex with a non-steroidal quinoline based inhibitor (see paper)
38% identity, 88% coverage: 25:248/256 of query aligns to 24:245/257 of 5o7cA

query
sites
5o7cA

K

R

G

A

L

F

I

V

E

N

E

S

G

G

A

A

I

R

P

V

V

V

I

I

I

C

D
|
D

P
x
K

S

D

E

E

K

S

E

G

G

G

K

R

E

A

L

L

V

-

E

E

L

Q

A

E

V

L

G

P

K

G

A

A

L

V

H

F

L

I

P

L

W

C

R
x
D

L
x
V

F

T

S

Q

A

E

E

D

D

D

C

V

E

K

K

T

A

L

V

V

L

S

E

E

A

T

V

I

R

R

A

R

F

F

G

G

R

R

I

L

D

D

G

C

V

V

N

N

N
|
N

A
|
A

G

G

A

H

N
x
H

D

P

G

P

V
x
P

G

Q

L

R

-

P

E

E

K

E

G

T

S

S

P

A

E

Q

A

G

F

F

A

R

Q

Q

S

L

I

L

A

E

N
x
L

N

N

L

L

H

L

H

G

Y

T

Y

Y

S

T

L

L

V

T

H

K

F

L

A

A

L

L

P

P

E

Y

L

L

K

R

K

K

S

S

Q

Q

G

G

A

N

I

V

V

I

N

N

I

I

S

S

S
|
S

K

L

T

V

A

G

V

A

T

I

G

G

Q

Q

G

A

G

Q

T

A

S

V

G

P

Y
|
Y

V

V

A

A

A

T

K
|
K

G

G

A

A

Q

V

L

T

A

A

L

M

T

T

R

K

E

A

W

L

S

A

V

L

E

D

L

E

L

S

P

P

Y

Y

H

G

I

V

R

R

V

V

N

N

A

C

I

I

L

S

P
|
P

A
x
G

E
x
N

V
x
I

Y
x
W

T
|
T

P
|
P

M
x
L

Y
x
W

E
|
E

S

E

W
x
L

I

A

Q

A

T

L

F

M

P

P

N

D

P

P

E

R

E

A

K
x
T

L

I

A

R

E

E

I

G

N

M

H

L

Q

A

I

Q

P

P

L

L

G

G

K

-

R

R

M

M

T

G

T

Q

P

P

E

A

E

E

I

V

A

G

S

A

M

A

A

A

I

V

F

F

L

L

L

A

S

S

N

E

R

-

A

A

S

N

H

F

I

C

T

T

G

G

Q

I

H

E

L

L

Y

L

V

V

D

T

G

G

active site: S138 (= S139), Y151 (= Y152), K155 (= K156)
binding 2-(4-fluoranyl-3-oxidanyl-phenyl)carbonylquinoline-7-carbonitrile: H90 (≠ N92), P93 (≠ V95), S138 (= S139), Y151 (= Y152), N183 (≠ E184), W189 (≠ Y190), L192 (≠ W193), T202 (≠ K203)
binding beta-D-glucopyranose: W185 (≠ Y186), T186 (= T187), P187 (= P188), E190 (= E191)
binding nicotinamide-adenine-dinucleotide: D37 (= D38), K38 (≠ P39), D59 (≠ R61), V60 (≠ L62), N86 (= N88), A87 (= A89), L110 (≠ N111), S138 (= S139), Y151 (= Y152), K155 (= K156), P181 (= P182), G182 (≠ A183), N183 (≠ E184), I184 (≠ V185), T186 (= T187), L188 (≠ M189)

Sites not aligning to the query:

active site: 17
binding nicotinamide-adenine-dinucleotide: 13, 16, 18

Query Sequence

>WP_111391131.1 NCBI__GCF_003253485.1:WP_111391131.1
MNLHLQDKVILISGGAKGIGGAISKGLIEEGAIPVIIDPSEKEGKELVELAVGKALHLPW
RLFSAEDCEKAVLEAVRAFGRIDGVVNNAGANDGVGLEKGSPEAFAQSIANNLHHYYSLV
HFALPELKKSQGAIVNISSKTAVTGQGGTSGYVAAKGAQLALTREWSVELLPYHIRVNAI
LPAEVYTPMYESWIQTFPNPEEKLAEINHQIPLGKRMTTPEEIASMAIFLLSNRASHITG
QHLYVDGGYTHLDRAL

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