SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing CA265_RS04230 FitnessBrowser__Pedo557:CA265_RS04230 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)

5o43A 17beta-hydroxysteroid dehydrogenase 14 variant t205 in complex with a non-steroidal 2,6-pyridinketone inhibitor. (see paper)
38% identity, 91% coverage: 24:255/256 of query aligns to 24:253/253 of 5o43A

query
sites
5o43A

K

R

A

A

Y

F

S

V

K

N

A

S

G

G

A

A

T

R

V

V

C

V

I

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L

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D
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D

K
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K

N

D

P

E

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G

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R

K

A

L

L

N

-

E

E

L

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E

E

T

L

A

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Q

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K

A

I

V

A

F

I

I

T

L

C

C

N
x
D

L
x
V

V

T

N

Q

E

E

N

D

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D

V

V

A

K

A

T

A

L

F

V

E

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T

E

I

T

I

I

Q

R

K

R

F

F

G

G

N

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D

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C

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H

V

N

N

N
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N

A

A

G

G

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x
H

H

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P

K

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D

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Q

E

T

T

T

S

D

A

A

Q

E

G

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F

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x
L

N

N

L

L

K

L

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Y

Y

T

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K

Y

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Y

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K

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K

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G

G

C

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M

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V

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G

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Q

D
x
A

N
x
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H

A

A

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A

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Y
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Y

V

V

A

A

T

T

K
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K

G

G

A

A

I

V

N

T

A

A

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M

T

T

K

K

A

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M

L

A

A

L

L

D

D

Y

E

A

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Y

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x
G

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I
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I

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x
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T

P
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P

T
x
L

L
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W

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x
E

L

E

W
x
L

S

A

K

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Q

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P

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G

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M

M

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D

A

V

E

I

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A

G

D

A

A

A

C

A

L

V

F

F

L

L

L

A

S

S

D

E

A

-

A

A

R

N

F

F

I

C

T

T

G

G

T

I

I

E

L

L

P

L

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V

S

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G

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E

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G

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Y

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I

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 (≠ A91), S138 (= S139), Q145 (= Q146), A146 (≠ D147), Q147 (≠ N148), Y151 (= Y152), N183 (≠ A184), W189 (≠ L190), L192 (≠ W193)
binding beta-D-glucopyranose: W185 (≠ N186), T186 (= T187), P187 (= P188), E190 (≠ Q191)
binding nicotinamide-adenine-dinucleotide: D37 (= D37), K38 (= K38), D59 (≠ N60), V60 (≠ L61), N86 (= N87), L110 (≠ V111), Y151 (= Y152), K155 (= K156), P181 (= P182), G182 (≠ A183), N183 (≠ A184), I184 (= I185), T186 (= T187), L188 (≠ T189)

Sites not aligning to the query:

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

5en4A Complex of 17-beta-hydroxysteroid dehydrogenase type 14 with inhibitor. (see paper)
38% identity, 89% coverage: 24:252/256 of query aligns to 24:250/251 of 5en4A

query
sites
5en4A

K

R

A

A

Y

F

S

V

K

N

A

S

G

G

A

A

T

R

V

V

C

V

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I

L

C

D
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D

K
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K

N

D

P

E

I

S

A

G

E

G

S

R

K

A

L

L

N

-

E

E

L

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E

E

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A

P

Q

G

K

A

I

V

A

F

I

I

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L

C

C

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x
D

L
x
V

V

T

N

Q

E

E

N

D

E

D

V

V

A

K

A

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F

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E

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E

I

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I

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K

R

F

F

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G

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R

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L

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D

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V

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N

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x
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H

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K

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Y

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T

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K

G

G

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N

T

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T

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K

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A

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F

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L

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A

S

S

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E

A

-

A

A

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N

F

F

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C

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G

T

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I

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L

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P

L

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V

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G

G

G

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A

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E

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L

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G

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Y

active site: S138 (= S139), A148 (≠ H149), Y151 (= Y152), K155 (= K156)
binding [2,3-bis(oxidanyl)phenyl]-[6-(2-fluoranyl-3-oxidanyl-phenyl)pyridin-2-yl]methanone: H90 (≠ A91), S138 (= S139), Q145 (= Q146), A146 (≠ D147), Q147 (≠ N148), Y151 (= Y152), N183 (≠ A184), W189 (≠ L190), L192 (≠ W193)
binding nicotinamide-adenine-dinucleotide: D37 (= D37), K38 (= K38), D59 (≠ N60), V60 (≠ L61), N86 (= N87), L110 (≠ V111), S138 (= S139), Y151 (= Y152), K155 (= K156), P181 (= P182), G182 (≠ A183), I184 (= I185), T186 (= T187), L188 (≠ T189)

Sites not aligning to the query:

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

5o6xA 17beta-hydroxysteroid dehydrogenase 14 variant t205 in complex with a non-steroidal quinoline based inhibitor (see paper)
38% identity, 89% coverage: 24:252/256 of query aligns to 23:249/253 of 5o6xA

query
sites
5o6xA

K

R

A

A

Y

F

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V

K

N

A

S

G

G

A

A

T

R

V

V

C

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D
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D

K
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K

N

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E

I

S

A

G

E

G

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K

A

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-

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E

E

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A

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K

A

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A

F

I

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C

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x
D

L
x
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V

T

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Q

E

E

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D

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K

A

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K

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N

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D

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G

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x
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Y

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A

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F

F

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S

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E

A

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F

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G

T

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G

G

G

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A

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G

Y

Y

active site: S137 (= S139), Y150 (= Y152), K154 (= K156)
binding (4-fluoranyl-3-oxidanyl-phenyl)-(6-methylquinolin-2-yl)methanone: H89 (≠ A91), S137 (= S139), L138 (≠ M140), V139 (= V141), Q144 (= Q146), G181 (≠ A183), N182 (≠ A184), W188 (≠ L190), L191 (≠ W193)
binding beta-D-glucopyranose: W184 (≠ N186), T185 (= T187), P186 (= P188), E189 (≠ Q191)
binding nicotinamide-adenine-dinucleotide: D36 (= D37), K37 (= K38), D58 (≠ N60), V59 (≠ L61), N85 (= N87), G87 (= G89), L109 (≠ V111), S137 (= S139), Y150 (= Y152), K154 (= K156), P180 (= P182), G181 (≠ A183), I183 (= I185), T185 (= T187), L187 (≠ T189)

Sites not aligning to the query:

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

5hs6A Human 17beta-hydroxysteroid dehydrogenase type 14 in complex with estrone (see paper)
38% identity, 89% coverage: 24:252/256 of query aligns to 24:250/257 of 5hs6A

query
sites
5hs6A

K

R

A

A

Y

F

S

V

K

N

A

S

G

G

A

A

T

R

V

V

C

V

I

I

L

C

D
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D

K
|
K

N

D

P

E

I

S

A

G

E

G

S

R

K

A

L

L

N

-

E

E

L

Q

E

E

T

L

A

P

Q

G

K

A

I

V

A

F

I

I

T

L

C

C

N
x
D

L

V

V

T

N

Q

E

E

N

D

E

D

V

V

A

K

A

T

A

L

F

V

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S

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E

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T

I

I

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K

R

F

F

G

G

N

R

I

L

D

D

A

C

I

V

H

V

N

N

N
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N

A

A

G

G

I

H

A
x
H

H

P

P

P

S

P

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Q

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T

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A

A

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L

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x
L

N

N

L

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Y

Y

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K

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K

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G

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N

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I

N

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S

S

S
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S

M

L

V

V

G

G

T

A

I

I

G

G

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Q

D

A

N

Q

H
x
A

A

V

A

P

Y
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Y

V

V

A

A

T

T

K
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K

G

G

A

A

I

V

N

T

A

A

L

M

T

T

K

K

A

A

M

L

A

A

L

L

D

D

Y

E

A

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Y

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G

I

V

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R

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V

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N

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x
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P

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L

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E

L

E

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x
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S

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K

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N

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K

P

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K

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L

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G

G

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M

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A

Q

G

P

D

A

V

E

I

V

A

G

D

A

A

A

C

A

L

V

F

F

L

L

L

A

S

S

D

E

A

-

A

A

R

N

F

F

I

C

T

T

G

G

T

I

I

E

L

L

P

L

V

V

S

T

G

G

G

G

A

A

E

E

L

L

G

G

Y

Y

active site: S138 (= S139), A148 (≠ H149), Y151 (= Y152), K155 (= K156)
binding (9beta,13alpha)-3-hydroxyestra-1,3,5(10)-trien-17-one: H90 (≠ A91), Q145 (= Q146), Y151 (= Y152), L192 (≠ W193)
binding nicotinamide-adenine-dinucleotide: D37 (= D37), K38 (= K38), D59 (≠ N60), N86 (= N87), L110 (≠ V111), S138 (= S139), Y151 (= Y152), K155 (= K156), P181 (= P182), G182 (≠ A183), N183 (≠ A184), I184 (= I185), T186 (= T187), L188 (≠ T189)

Sites not aligning to the query:

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

5o6oA 17beta-hydroxysteroid dehydrogenase 14 variant t205 in complex with a non-steroidal 2,6-pyridinketone inhibitor (see paper)
38% identity, 89% coverage: 24:252/256 of query aligns to 24:250/256 of 5o6oA

query
sites
5o6oA

K

R

A

A

Y

F

S

V

K

N

A

S

G

G

A

A

T

R

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V

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V

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D
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D

K
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K

N

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P

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E

E

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A

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K

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F

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C

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x
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x
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E

E

N

D

E

D

V

V

A

K

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I

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K

R

F

F

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G

N

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H

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N

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N
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N

A

A

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G

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x
H

H

P

P

P

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P

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A

A

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E

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W

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L

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L

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N

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K

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Y

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T

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Y

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I

L

E

P

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Y

L

L

K

R

K

K

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K

Q

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G

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L

I

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S
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S

M

L

V

V

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G

T

A

I

I

G

G

Q
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Q

D
x
A

N
x
Q

H

A

A

V

A

P

Y
|
Y

V

V

A

A

T

T

K
|
K

G

G

A

A

I

V

N

T

A

A

L

M

T

T

K

K

A

A

M

L

A

A

L

L

D

D

Y

E

A

S

P

P

Y

Y

Q

G

I

V

R

R

V

V

N

N

A

C

V

I

S

S

P
|
P

A
x
G

A
x
N

I
|
I

N
x
W

T
|
T

P
|
P

T
x
L

L
x
W

Q
x
E

L

E

W
x
L

S

A

K

A

E

L

Q

M

P

P

N

D

K

P

E

R

E

A

I

T

Q

I

H

R

Y

E

L

G

D

M

K

L

L

A

Q

Q

P

P

L

L

G

G

G

R

M

M

P

G

A

Q

G

P

D

A

V

E

I

V

A

G

D

A

A

A

C

A

L

V

F

F

L

L

L

A

S

S

D

E

A

-

A

A

R

N

F

F

I

C

T

T

G

G

T

I

I

E

L

L

P

L

V

V

S

T

G

G

G

G

A

A

E

E

L

L

G

G

Y

Y

active site: S138 (= S139), Y151 (= Y152), K155 (= K156)
binding 2-fluoranyl-3-[6-(4-fluoranyl-3-oxidanyl-phenoxy)pyridin-2-yl]phenol: H90 (≠ A91), S138 (= S139), Q145 (= Q146), A146 (≠ D147), Q147 (≠ N148), Y151 (= Y152), N183 (≠ A184), W189 (≠ L190), L192 (≠ W193)
binding beta-D-glucopyranose: W185 (≠ N186), T186 (= T187), P187 (= P188), E190 (≠ Q191)
binding nicotinamide-adenine-dinucleotide: D37 (= D37), K38 (= K38), D59 (≠ N60), V60 (≠ L61), N86 (= N87), L110 (≠ V111), S138 (= S139), Y151 (= Y152), K155 (= K156), P181 (= P182), G182 (≠ A183), N183 (≠ A184), I184 (= I185), T186 (= T187), L188 (≠ T189)

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, 89% coverage: 24:252/256 of query aligns to 24:250/256 of 5o42A

query
sites
5o42A

K

R

A

A

Y

F

S

V

K

N

A

S

G

G

A

A

T

R

V

V

C

V

I

I

L

C

D
|
D

K
|
K

N

D

P

E

I

S

A

G

E

G

S

R

K

A

L

L

N

-

E

E

L

Q

E

E

T

L

A

P

Q

G

K

A

I

V

A

F

I

I

T

L

C

C

N
x
D

L
x
V

V

T

N

Q

E

E

N

D

E

D

V

V

A

K

A

T

A

L

F

V

E

S

T

E

I

T

I

I

Q

R

K

R

F

F

G

G

N

R

I

L

D

D

A

C

I

V

H

V

N

N

N
|
N

A

A

G
|
G

I

H

A
x
H

H

P

P

P

S
x
P

K

Q

T

R

L

P

D

E

Q

E

T

T

T

S

D

A

A

Q

E

G

W

F

D

R

L

Q

L

L

M

L

N

E

V
x
L

N

N

L

L

K

L

S

G

I

T

L

Y

Y

T

T

L

T

T

R

K

Y

L

G

A

I

L

E

P

Q

Y

L

L

K

R

K

K

T

S

K

Q

G

G

C

N

I

V

L

I

N

N

T

I

S

S

S
|
S

M

L

V

V

G

G

T

A

I

I

G

G

Q
|
Q

D
x
A

N

Q

H

A

A

V

A

P

Y
|
Y

V

V

A

A

T

T

K
|
K

G

G

A

A

I

V

N

T

A

A

L

M

T

T

K

K

A

A

M

L

A

A

L

L

D

D

Y

E

A

S

P

P

Y

Y

Q

G

I

V

R

R

V

V

N

N

A

C

V

I

S

S

P
|
P

A
x
G

A
x
N

I
|
I

N
x
W

T
|
T

P
|
P

T
x
L

L
x
W

Q
x
E

L

E

W
x
L

S

A

K

A

E

L

Q

M

P

P

N

D

K

P

E

R

E

A

I

T

Q

I

H

R

Y

E

L

G

D

M

K

L

L

A

Q

Q

P

P

L

L

G

G

G

R

M

M

P

G

A

Q

G

P

D

A

V

E

I

V

A

G

D

A

A

A

C

A

L

V

F

F

L

L

L

A

S

S

D

E

A

-

A

A

R

N

F

F

I

C

T

T

G

G

T

I

I

E

L

L

P

L

V

V

S

T

G

G

G

G

A

A

E

E

L

L

G

G

Y

Y

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 (≠ A91), P93 (≠ S94), S138 (= S139), Q145 (= Q146), A146 (≠ D147), Y151 (= Y152), N183 (≠ A184), W189 (≠ L190), L192 (≠ W193)
binding beta-D-glucopyranose: W185 (≠ N186), T186 (= T187), P187 (= P188), E190 (≠ Q191)
binding nicotinamide-adenine-dinucleotide: D37 (= D37), K38 (= K38), D59 (≠ N60), V60 (≠ L61), N86 (= N87), G88 (= G89), L110 (≠ V111), S138 (= S139), Y151 (= Y152), K155 (= K156), P181 (= P182), G182 (≠ A183), N183 (≠ A184), I184 (= I185), T186 (= T187), L188 (≠ T189)

Sites not aligning to the query:

active site: 17
binding beta-D-glucopyranose: 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, 89% coverage: 24:252/256 of query aligns to 23:249/255 of 5icmA

query
sites
5icmA

K

R

A

A

Y

F

S

V

K

N

A

S

G

G

A

A

T

R

V

V

C

V

I

I

L

C

D
|
D

K
|
K

N

D

P

E

I

S

A

G

E

G

S

R

K

A

L

L

N

-

E

E

L

Q

E

E

T

L

A

P

Q

G

K

A

I

V

A

F

I

I

T

L

C

C

N
x
D

L
x
V

V

T

N

Q

E

E

N

D

E

D

V

V

A

K

A

T

A

L

F

V

E

S

T

E

I

T

I

I

Q

R

K

R

F

F

G

G

N

R

I

L

D

D

A

C

I

V

H

V

N

N

N
|
N

A

A

G

G

I

H

A
x
H

H

P

P

P

S
x
P

K

Q

T

R

L

P

D

E

Q

E

T

T

T

S

D

A

A

Q

E

G

W

F

D

R

L

Q

L

L

M

L

N

E

V
x
L

N

N

L

L

K

L

S

G

I

T

L

Y

Y

T

T

L

T

T

R

K

Y

L

G

A

I

L

E

P

Q

Y

L

L

K

R

K

K

T

S

K

Q

G

G

C

N

I

V

L

I

N

N

T

I

S

S

S
|
S

M

L

V

V

G

G

T

A

I

I

G

G

Q
|
Q

D
x
A

N
x
Q

H
x
A

A

V

A

P

Y
|
Y

V

V

A

A

T

T

K
|
K

G

G

A

A

I

V

N

T

A

A

L

M

T

T

K

K

A

A

M

L

A

A

L

L

D

D

Y

E

A

S

P

P

Y

Y

Q

G

I

V

R

R

V

V

N

N

A

C

V

I

S

S

P
|
P

A
x
G

A
x
N

I
|
I

N
x
W

T
|
T

P
|
P

T
x
L

L
x
W

Q
x
E

L

E

W
x
L

S

A

K

A

E

L

Q

M

P

P

N

D

K

P

E

R

E

A

I

T

Q

I

H

R

Y

E

L

G

D

M

K

L

L

A

Q

Q

P

P

L

L

G

G

G

R

M

M

P

G

A

Q

G

P

D

A

V

E

I

V

A

G

D

A

A

A

C

A

L

V

F

F

L

L

L

A

S

S

D

E

A

-

A

A

R

N

F

F

I

C

T

T

G

G

T

I

I

E

L

L

P

L

V

V

S

T

G

G

G

G

A

A

E

E

L

L

G

G

Y

Y

active site: S137 (= S139), A147 (≠ H149), Y150 (= Y152), K154 (= K156)
binding [6-(3,4-dihydroxyphenyl)pyridin-2-yl](4-fluoro-3-hydroxyphenyl)methanone: H89 (≠ A91), P92 (≠ S94), S137 (= S139), Q144 (= Q146), A145 (≠ D147), Q146 (≠ N148), Y150 (= Y152), N182 (≠ A184), W188 (≠ L190), L191 (≠ W193)
binding alpha-D-glucopyranose: W184 (≠ N186), T185 (= T187), P186 (= P188), E189 (≠ Q191)
binding nicotinamide-adenine-dinucleotide: D36 (= D37), K37 (= K38), D58 (≠ N60), V59 (≠ L61), N85 (= N87), L109 (≠ V111), S137 (= S139), Y150 (= Y152), K154 (= K156), P180 (= P182), G181 (≠ A183), N182 (≠ A184), I183 (= I185), T185 (= T187), L187 (≠ T189)

Sites not aligning to the query:

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

6gtbA 17beta-hydroxysteroid dehydrogenase 14 variant t205 in complex with fb211
38% identity, 89% coverage: 24:252/256 of query aligns to 24:250/257 of 6gtbA

query
sites
6gtbA

K

R

A

A

Y

F

S

V

K

N

A

S

G

G

A

A

T

R

V

V

C

V

I

I

L

C

D
|
D

K
|
K

N

D

P

E

I

S

A

G

E

G

S

R

K

A

L

L

N

-

E

E

L

Q

E

E

T

L

A

P

Q

G

K

A

I

V

A

F

I

I

T

L

C

C

N
x
D

L
x
V

V

T

N

Q

E

E

N

D

E

D

V

V

A

K

A

T

A

L

F

V

E

S

T

E

I

T

I

I

Q

R

K

R

F

F

G

G

N

R

I

L

D

D

A

C

I

V

H

V

N

N

N
|
N

A

A

G

G

I

H

A
x
H

H

P

P

P

S
x
P

K

Q

T

R

L

P

D

E

Q

E

T

T

T

S

D

A

A

Q

E

G

W

F

D

R

L

Q

L

L

M

L

N

E

V
x
L

N

N

L

L

K

L

S

G

I

T

L

Y

Y

T

T

L

T

T

R

K

Y

L

G

A

I

L

E

P

Q

Y

L

L

K

R

K

K

T

S

K

Q

G

G

C

N

I

V

L

I

N

N

T

I

S

S

S
|
S

M

L

V

V

G

G

T

A

I

I

G

G

Q
|
Q

D
x
A

N
x
Q

H

A

A

V

A

P

Y
|
Y

V

V

A

A

T

T

K
|
K

G

G

A

A

I

V

N

T

A

A

L

M

T

T

K

K

A

A

M

L

A

A

L

L

D

D

Y

E

A

S

P

P

Y

Y

Q

G

I

V

R

R

V

V

N

N

A

C

V

I

S

S

P
|
P

A
x
G

A
x
N

I
|
I

N
x
W

T
|
T

P
|
P

T
x
L

L
x
W

Q
x
E

L

E

W
x
L

S

A

K

A

E

L

Q
x
M

P

P

N

D

K

P

E

R

E

A

I

T

Q

I

H

R

Y

E

L

G

D

M

K

L

L

A

Q

Q

P

P

L

L

G

G

G

R

M

M

P

G

A

Q

G

P

D

A

V

E

I

V

A

G

D

A

A

A

C

A

L

V

F

F

L

L

L

A

S

S

D

E

A

-

A

A

R

N

F

F

I

C

T

T

G

G

T

I

I

E

L

L

P

L

V

V

S

T

G

G

G

G

A

A

E

E

L

L

G

G

Y

Y

active site: S138 (= S139), Y151 (= Y152), K155 (= K156)
binding beta-D-glucopyranose: W185 (≠ N186), T186 (= T187), P187 (= P188), E190 (≠ Q191)
binding 3-[6-(3-hydroxyphenyl)pyridin-2-yl]benzoic acid: H90 (≠ A91), P93 (≠ S94), S138 (= S139), Q145 (= Q146), A146 (≠ D147), Q147 (≠ N148), Y151 (= Y152), W189 (≠ L190), L192 (≠ W193), M196 (≠ Q197)
binding nicotinamide-adenine-dinucleotide: D37 (= D37), K38 (= K38), D59 (≠ N60), V60 (≠ L61), N86 (= N87), L110 (≠ V111), S138 (= S139), Y151 (= Y152), K155 (= K156), P181 (= P182), G182 (≠ A183), N183 (≠ A184), I184 (= I185), T186 (= T187), L188 (≠ T189)

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, 89% coverage: 24:252/256 of query aligns to 24:250/257 of 5o7cA

query
sites
5o7cA

K

R

A

A

Y

F

S

V

K

N

A

S

G

G

A

A

T

R

V

V

C

V

I

I

L

C

D
|
D

K
|
K

N

D

P

E

I

S

A

G

E

G

S

R

K

A

L

L

N

-

E

E

L

Q

E

E

T

L

A

P

Q

G

K

A

I

V

A

F

I

I

T

L

C

C

N
x
D

L
x
V

V

T

N

Q

E

E

N

D

E

D

V

V

A

K

A

T

A

L

F

V

E

S

T

E

I

T

I

I

Q

R

K

R

F

F

G

G

N

R

I

L

D

D

A

C

I

V

H

V

N

N

N
|
N

A
|
A

G

G

I

H

A
x
H

H

P

P

P

S
x
P

K

Q

T

R

L

P

D

E

Q

E

T

T

T

S

D

A

A

Q

E

G

W

F

D

R

L

Q

L

L

M

L

N

E

V
x
L

N

N

L

L

K

L

S

G

I

T

L

Y

Y

T

T

L

T

T

R

K

Y

L

G

A

I

L

E

P

Q

Y

L

L

K

R

K

K

T

S

K

Q

G

G

C

N

I

V

L

I

N

N

T

I

S

S

S
|
S

M

L

V

V

G

G

T

A

I

I

G

G

Q

Q

D

A

N

Q

H

A

A

V

A

P

Y
|
Y

V

V

A

A

T

T

K
|
K

G

G

A

A

I

V

N

T

A

A

L

M

T

T

K

K

A

A

M

L

A

A

L

L

D

D

Y

E

A

S

P

P

Y

Y

Q

G

I

V

R

R

V

V

N

N

A

C

V

I

S

S

P
|
P

A
x
G

A
x
N

I
|
I

N
x
W

T
|
T

P
|
P

T
x
L

L
x
W

Q
x
E

L

E

W
x
L

S

A

K

A

E

L

Q

M

P

P

N

D

K

P

E

R

E

A

I
x
T

Q

I

H

R

Y

E

L

G

D

M

K

L

L

A

Q

Q

P

P

L

L

G

G

G

R

M

M

P

G

A

Q

G

P

D

A

V

E

I

V

A

G

D

A

A

A

C

A

L

V

F

F

L

L

L

A

S

S

D

E

A

-

A

A

R

N

F

F

I

C

T

T

G

G

T

I

I

E

L

L

P

L

V

V

S

T

G

G

G

G

A

A

E

E

L

L

G

G

Y

Y

active site: S138 (= S139), Y151 (= Y152), K155 (= K156)
binding 2-(4-fluoranyl-3-oxidanyl-phenyl)carbonylquinoline-7-carbonitrile: H90 (≠ A91), P93 (≠ S94), S138 (= S139), Y151 (= Y152), N183 (≠ A184), W189 (≠ L190), L192 (≠ W193), T202 (≠ I203)
binding beta-D-glucopyranose: W185 (≠ N186), T186 (= T187), P187 (= P188), E190 (≠ Q191)
binding nicotinamide-adenine-dinucleotide: D37 (= D37), K38 (= K38), D59 (≠ N60), V60 (≠ L61), N86 (= N87), A87 (= A88), L110 (≠ V111), S138 (= S139), Y151 (= Y152), K155 (= K156), P181 (= P182), G182 (≠ A183), N183 (≠ A184), I184 (= I185), T186 (= T187), L188 (≠ T189)

Sites not aligning to the query:

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

5o72A 17beta-hydroxysteroid dehydrogenase 14 variant t205 in complex with a non-steroidal quinoline based inhibitor (see paper)
38% identity, 89% coverage: 24:252/256 of query aligns to 23:249/255 of 5o72A

query
sites
5o72A

K

R

A

A

Y

F

S

V

K

N

A

S

G

G

A

A

T

R

V

V

C

V

I

I

L

C

D
|
D

K
|
K

N

D

P

E

I

S

A

G

E

G

S

R

K

A

L

L

N

-

E

E

L

Q

E

E

T

L

A

P

Q

G

K

A

I

V

A

F

I

I

T

L

C

C

N
x
D

L
x
V

V

T

N

Q

E

E

N

D

E

D

V

V

A

K

A

T

A

L

F

V

E

S

T

E

I

T

I

I

Q

R

K

R

F

F

G

G

N

R

I

L

D

D

A

C

I

V

H

V

N

N

N
|
N

A

A

G

G

I

H

A
x
H

H

P

P

P

S

P

K

Q

T

R

L

P

D

E

Q

E

T

T

T

S

D

A

A

Q

E

G

W

F

D

R

L

Q

L

L

M

L

N

E

V
x
L

N

N

L

L

K

L

S

G

I

T

L

Y

Y

T

T

L

T

T

R

K

Y

L

G

A

I

L

E

P

Q

Y

L

L

K

R

K

K

T

S

K

Q

G

G

C

N

I

V

L

I

N

N

T

I

S

S

S
|
S

M

L

V

V

G

G

T

A

I

I

G

G

Q

Q

D

A

N

Q

H

A

A

V

A

P

Y
|
Y

V

V

A

A

T

T

K
|
K

G

G

A

A

I

V

N

T

A

A

L

M

T

T

K

K

A

A

M

L

A

A

L

L

D

D

Y

E

A

S

P

P

Y

Y

Q

G

I

V

R

R

V

V

N

N

A

C

V

I

S

S

P
|
P

A
x
G

A
x
N

I
|
I

N

W

T
|
T

P

P

T
x
L

L
x
W

Q

E

L

E

W
x
L

S

A

K

A

E

L

Q

M

P

P

N

D

K

P

E

R

E

A

I

T

Q

I

H

R

Y

E

L

G

D

M

K

L

L

A

Q

Q

P

P

L

L

G

G

G

R

M

M

P

G

A

Q

G

P

D

A

V

E

I

V

A

G

D

A

A

A

C

A

L

V

F

F

L

L

L

A

S

S

D

E

A

-

A

A

R

N

F

F

I

C

T

T

G

G

T

I

I

E

L

L

P

L

V

V

S

T

G

G

G

G

A

A

E

E

L

L

G

G

Y

Y

active site: S137 (= S139), Y150 (= Y152), K154 (= K156)
binding 2-azanyl-~{N}-[2-(4-fluoranyl-3-oxidanyl-phenyl)carbonylquinolin-7-yl]ethanamide: H89 (≠ A91), S137 (= S139), Y150 (= Y152), N182 (≠ A184), W188 (≠ L190), L191 (≠ W193)
binding nicotinamide-adenine-dinucleotide: D36 (= D37), K37 (= K38), D58 (≠ N60), V59 (≠ L61), N85 (= N87), L109 (≠ V111), Y150 (= Y152), K154 (= K156), P180 (= P182), G181 (≠ A183), N182 (≠ A184), I183 (= I185), T185 (= T187), L187 (≠ T189)

Sites not aligning to the query:

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

5o6zA 17beta-hydroxysteroid dehydrogenase 14 variant t205 in complex with a non-steroidal quinoline based inhibitor (see paper)
38% identity, 89% coverage: 24:252/256 of query aligns to 24:250/257 of 5o6zA

query
sites
5o6zA

K

R

A

A

Y

F

S

V

K

N

A

S

G

G

A

A

T

R

V

V

C

V

I

I

L

C

D
|
D

K
|
K

N

D

P

E

I

S

A

G

E

G

S

R

K

A

L

L

N

-

E

E

L

Q

E

E

T

L

A

P

Q

G

K

A

I

V

A

F

I

I

T

L

C

C

N
x
D

L
x
V

V

T

N

Q

E

E

N

D

E

D

V

V

A

K

A

T

A

L

F

V

E

S

T

E

I

T

I

I

Q

R

K

R

F

F

G

G

N

R

I

L

D

D

A

C

I

V

H

V

N

N

N
|
N

A

A

G

G

I

H

A
x
H

H

P

P

P

S

P

K

Q

T

R

L

P

D

E

Q

E

T

T

T

S

D

A

A

Q

E

G

W

F

D

R

L

Q

L

L

M

L

N

E

V
x
L

N

N

L

L

K

L

S

G

I

T

L

Y

Y

T

T

L

T

T

R

K

Y

L

G

A

I

L

E

P

Q

Y

L

L

K

R

K

K

T

S

K

Q

G

G

C

N

I

V

L

I

N

N

T

I

S

S

S
|
S

M

L

V

V

G

G

T

A

I

I

G

G

Q

Q

D

A

N

Q

H

A

A

V

A

P

Y
|
Y

V

V

A

A

T

T

K
|
K

G

G

A

A

I

V

N

T

A

A

L

M

T

T

K

K

A

A

M

L

A

A

L

L

D

D

Y

E

A

S

P

P

Y

Y

Q

G

I

V

R

R

V

V

N

N

A

C

V

I

S

S

P
|
P

A
x
G

A
x
N

I
|
I

N
x
W

T
|
T

P
|
P

T
x
L

L
x
W

Q
x
E

L

E

W
x
L

S

A

K

A

E

L

Q

M

P

P

N

D

K

P

E

R

E

A

I

T

Q

I

H

R

Y

E

L

G

D

M

K

L

L

A

Q

Q

P

P

L

L

G

G

G

R

M

M

P

G

A

Q

G

P

D

A

V

E

I

V

A

G

D

A

A

A

C

A

L

V

F

F

L

L

L

A

S

S

D

E

A

-

A

A

R

N

F

F

I

C

T

T

G

G

T

I

I

E

L

L

P

L

V

V

S

T

G

G

G

G

A

A

E

E

L

L

G

G

Y

Y

active site: S138 (= S139), Y151 (= Y152), K155 (= K156)
binding (4-fluoranyl-3-oxidanyl-phenyl)-quinolin-2-yl-methanone: H90 (≠ A91), S138 (= S139), Y151 (= Y152), N183 (≠ A184), W189 (≠ L190), L192 (≠ W193)
binding beta-D-glucopyranose: W185 (≠ N186), T186 (= T187), P187 (= P188), E190 (≠ Q191)
binding nicotinamide-adenine-dinucleotide: D37 (= D37), K38 (= K38), D59 (≠ N60), V60 (≠ L61), N86 (= N87), L110 (≠ V111), S138 (= S139), Y151 (= Y152), K155 (= K156), P181 (= P182), G182 (≠ A183), I184 (= I185), T186 (= T187), L188 (≠ T189)

Sites not aligning to the query:

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

5l7yA 17beta-hydroxysteroid dehydrogenase 14 variant t205 in complex with a non-steroidal inhibitor. (see paper)
38% identity, 89% coverage: 24:252/256 of query aligns to 24:250/256 of 5l7yA

query
sites
5l7yA

K
x
R

A

A

Y

F

S

V

K

N

A

S

G

G

A

A

T

R

V

V

C

V

I

I

L

C

D
|
D

K
|
K

N

D

P

E

I

S

A
x
G

E

G

S

R

K
x
A

L

L

N

-

E

E

L

Q

E

E

T

L

A

P

Q

G

K

A

I

V

A

F

I

I

T

L

C

C

N
x
D

L
x
V

V

T

N

Q

E

E

N

D

E

D

V

V

A

K

A

T

A

L

F

V

E

S

T

E

I

T

I

I

Q

R

K

R

F

F

G

G

N

R

I

L

D

D

A

C

I

V

H

V

N

N

N
|
N

A

A

G

G

I

H

A
x
H

H

P

P

P

S

P

K

Q

T

R

L

P

D

E

Q

E

T

T

T

S

D

A

A

Q

E

G

W

F

D

R

L

Q

L

L

M

L

N

E

V
x
L

N

N

L

L

K

L

S

G

I

T

L

Y

Y

T

T

L

T

T

R

K

Y

L

G

A

I

L

E

P

Q

Y

L

L

K

R

K

K

T

S

K

Q

G

G

C

N

I

V

L

I

N

N

T
x
I

S

S

S
|
S

M

L

V

V

G

G

T

A

I

I

G

G

Q
|
Q

D
x
A

N

Q

H
x
A

A

V

A

P

Y
|
Y

V

V

A

A

T

T

K
|
K

G

G

A

A

I

V

N

T

A

A

L

M

T

T

K

K

A

A

M

L

A

A

L

L

D

D

Y

E

A

S

P

P

Y

Y

Q

G

I

V

R

R

V

V

N

N

A

C

V

I

S

S

P
|
P

A
x
G

A
x
N

I
|
I

N

W

T
|
T

P

P

T
x
L

L
x
W

Q

E

L

E

W
x
L

S

A

K

A

E

L

Q

M

P

P

N

D

K

P

E

R

E

A

I

T

Q

I

H

R

Y

E

L

G

D

M

K

L

L

A

Q

Q

P

P

L

L

G

G

G

R

M

M

P

G

A

Q

G

P

D

A

V

E

I

V

A

G

D

A

A

A

C

A

L

V

F

F

L

L

L

A

S

S

D

E

A

-

A

A

R

N

F

F

I

C

T

T

G

G

T

I

I

E

L

L

P

L

V

V

S

T

G

G

G

G

A

A

E

E

L

L

G

G

Y

Y

active site: S138 (= S139), A148 (≠ H149), Y151 (= Y152), K155 (= K156)
binding (4-fluoranyl-3-oxidanyl-phenyl)-[6-(2-fluoranyl-3-oxidanyl-phenyl)pyridin-2-yl]methanone: R24 (≠ K24), G42 (≠ A42), A45 (≠ K45), H90 (≠ A91), S138 (= S139), Q145 (= Q146), A146 (≠ D147), Y151 (= Y152), N183 (≠ A184), W189 (≠ L190), L192 (≠ W193)
binding nicotinamide-adenine-dinucleotide: D37 (= D37), K38 (= K38), D59 (≠ N60), V60 (≠ L61), N86 (= N87), L110 (≠ V111), I136 (≠ T137), Y151 (= Y152), K155 (= K156), P181 (= P182), G182 (≠ A183), I184 (= I185), T186 (= T187), L188 (≠ T189)

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, 89% coverage: 24:252/256 of query aligns to 24:250/256 of 5l7tA

query
sites
5l7tA

K

R

A

A

Y

F

S

V

K

N

A

S

G

G

A

A

T

R

V

V

C

V

I

I

L

C

D
|
D

K
|
K

N

D

P

E

I

S

A

G

E

G

S

R

K

A

L

L

N

-

E

E

L

Q

E

E

T

L

A

P

Q

G

K

A

I

V

A

F

I

I

T

L

C

C

N
x
D

L
x
V

V

T

N

Q

E

E

N

D

E

D

V

V

A

K

A

T

A

L

F

V

E

S

T

E

I

T

I

I

Q

R

K

R

F

F

G

G

N

R

I

L

D

D

A

C

I

V

H

V

N

N

N
|
N

A
|
A

G
|
G

I

H

A
x
H

H

P

P

P

S

P

K

Q

T

R

L

P

D

E

Q

E

T

T

T

S

D

A

A

Q

E

G

W

F

D

R

L

Q

L

L

M

L

N

E

V
x
L

N

N

L

L

K

L

S

G

I

T

L

Y

Y

T

T

L

T

T

R

K

Y

L

G

A

I

L

E

P

Q

Y

L

L

K

R

K

K

T

S

K

Q

G

G

C

N

I

V

L

I

N

N

T

I

S

S

S
|
S

M

L

V

V

G

G

T

A

I

I

G

G

Q
|
Q

D
x
A

N

Q

H
x
A

A

V

A

P

Y
|
Y

V

V

A

A

T

T

K
|
K

G

G

A

A

I

V

N

T

A

A

L

M

T

T

K

K

A

A

M

L

A

A

L

L

D

D

Y

E

A

S

P

P

Y

Y

Q

G

I

V

R

R

V

V

N

N

A

C

V

I

S

S

P
|
P

A
x
G

A
x
N

I
|
I

N

W

T
|
T

P

P

T
x
L

L
x
W

Q

E

L

E

W
x
L

S

A

K

A

E

L

Q

M

P

P

N

D

K

P

E

R

E

A

I

T

Q

I

H

R

Y

E

L

G

D

M

K

L

L

A

Q

Q

P

P

L

L

G

G

G

R

M

M

P

G

A

Q

G

P

D

A

V

E

I

V

A

G

D

A

A

A

C

A

L

V

F

F

L

L

L

A

S

S

D

E

A

-

A

A

R

N

F

F

I

C

T

T

G

G

T

I

I

E

L

L

P

L

V

V

S

T

G

G

G

G

A

A

E

E

L

L

G

G

Y

Y

active site: S138 (= S139), A148 (≠ H149), Y151 (= Y152), K155 (= K156)
binding (4-fluoranyl-3-oxidanyl-phenyl)-[6-(3-methyl-4-oxidanyl-phenyl)pyridin-2-yl]methanone: H90 (≠ A91), S138 (= S139), Q145 (= Q146), A146 (≠ D147), Y151 (= Y152), N183 (≠ A184), W189 (≠ L190), L192 (≠ W193)
binding nicotinamide-adenine-dinucleotide: D37 (= D37), K38 (= K38), D59 (≠ N60), V60 (≠ L61), N86 (= N87), A87 (= A88), G88 (= G89), L110 (≠ V111), S138 (= S139), Y151 (= Y152), K155 (= K156), P181 (= P182), G182 (≠ A183), N183 (≠ A184), I184 (= I185), T186 (= T187), L188 (≠ T189)

Sites not aligning to the query:

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

5l7wA 17beta-hydroxysteroid dehydrogenase 14 variant t205 in complex with a non-steroidal inhibitor. (see paper)
38% identity, 89% coverage: 24:252/256 of query aligns to 24:250/254 of 5l7wA

query
sites
5l7wA

K

R

A

A

Y

F

S

V

K

N

A

S

G

G

A

A

T

R

V

V

C

V

I

I

L

C

D
|
D

K
|
K

N

D

P

E

I

S

A

G

E

G

S

R

K

A

L

L

N

-

E

E

L

Q

E

E

T

L

A

P

Q

G

K

A

I

V

A

F

I

I

T

L

C

C

N
x
D

L
x
V

V

T

N

Q

E

E

N

D

E

D

V

V

A

K

A

T

A

L

F

V

E

S

T

E

I

T

I

I

Q

R

K

R

F

F

G

G

N

R

I

L

D

D

A

C

I

V

H

V

N

N

N
|
N

A
|
A

G
|
G

I

H

A
x
H

H

P

P

P

S

P

K

Q

T

R

L

P

D

E

Q

E

T

T

T

S

D

A

A

Q

E

G

W

F

D

R

L

Q

L

L

M

L

N

E

V
x
L

N

N

L

L

K

L

S

G

I

T

L

Y

Y

T

T

L

T

T

R

K

Y

L

G

A

I

L

E

P

Q

Y

L

L

K

R

K

K

T

S

K

Q

G

G

C

N

I

V

L

I

N

N

T

I

S

S

S
|
S

M

L

V

V

G

G

T

A

I

I

G

G

Q
|
Q

D
x
A

N
x
Q

H
x
A

A

V

A

P

Y
|
Y

V

V

A

A

T

T

K
|
K

G

G

A

A

I

V

N

T

A

A

L

M

T

T

K

K

A

A

M

L

A

A

L

L

D

D

Y

E

A

S

P

P

Y

Y

Q

G

I

V

R

R

V

V

N

N

A

C

V

I

S

S

P
|
P

A
x
G

A
x
N

I
|
I

N
x
W

T
|
T

P
|
P

T
x
L

L
x
W

Q
x
E

L

E

W
x
L

S

A

K

A

E

L

Q

M

P

P

N

D

K

P

E

R

E

A

I

T

Q

I

H

R

Y

E

L

G

D

M

K

L

L

A

Q

Q

P

P

L

L

G

G

G

R

M

M

P

G

A

Q

G

P

D

A

V

E

I

V

A

G

D

A

A

A

C

A

L

V

F

F

L

L

L

A

S

S

D

E

A

-

A

A

R

N

F

F

I

C

T

T

G

G

T

I

I

E

L

L

P

L

V

V

S

T

G

G

G

G

A

A

E

E

L

L

G

G

Y

Y

active site: S138 (= S139), A148 (≠ H149), Y151 (= Y152), K155 (= K156)
binding [4-fluoranyl-2,3-bis(oxidanyl)phenyl]-[6-(2-fluoranyl-3-oxidanyl-phenyl)pyridin-2-yl]methanone: H90 (≠ A91), S138 (= S139), Q145 (= Q146), A146 (≠ D147), Q147 (≠ N148), Y151 (= Y152), N183 (≠ A184), W189 (≠ L190), L192 (≠ W193)
binding beta-D-glucopyranose: W185 (≠ N186), T186 (= T187), P187 (= P188), E190 (≠ Q191)
binding nicotinamide-adenine-dinucleotide: D37 (= D37), K38 (= K38), D59 (≠ N60), V60 (≠ L61), N86 (= N87), A87 (= A88), G88 (= G89), L110 (≠ V111), S138 (= S139), Y151 (= Y152), K155 (= K156), P181 (= P182), G182 (≠ A183), N183 (≠ A184), I184 (= I185), T186 (= T187), L188 (≠ T189)

Sites not aligning to the query:

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

6gtuA 17beta-hydroxysteroid dehydrogenase 14 variant t205 in complex with fragment j6
38% identity, 89% coverage: 24:252/256 of query aligns to 24:250/268 of 6gtuA

query
sites
6gtuA

K

R

A

A

Y

F

S

V

K

N

A

S

G

G

A

A

T

R

V

V

C

V

I

I

L

C

D
|
D

K
|
K

N

D

P

E

I

S

A

G

E

G

S

R

K

A

L

L

N

-

E

E

L

Q

E

E

T

L

A

P

Q

G

K

A

I

V

A

F

I

I

T

L

C

C

N
x
D

L

V

V

T

N

Q

E

E

N

D

E

D

V

V

A

K

A

T

A

L

F

V

E

S

T

E

I

T

I

I

Q

R

K

R

F

F

G

G

N

R

I

L

D

D

A

C

I

V

H

V

N

N

N
|
N

A
|
A

G
|
G

I

H

A

H

H

P

P

P

S

P

K

Q

T

R

L

P

D

E

Q

E

T

T

T

S

D

A

A

Q

E

G

W

F

D

R

L

Q

L

L

M

L

N

E

V
x
L

N

N

L

L

K

L

S

G

I

T

L

Y

Y

T

T

L

T

T

R

K

Y

L

G

A

I

L

E

P

Q

Y

L

L

K

R

K

K

T

S

K

Q

G

G

C

N

I

V

L

I

N

N

T

I

S

S

S
|
S

M

L

V

V

G

G

T

A

I

I

G

G

Q

Q

D

A

N

Q

H

A

A

V

A

P

Y
|
Y

V

V

A

A

T

T

K
|
K

G

G

A

A

I

V

N

T

A

A

L

M

T

T

K

K

A

A

M

L

A

A

L

L

D

D

Y

E

A

S

P

P

Y

Y

Q

G

I

V

R

R

V

V

N

N

A

C

V

I

S

S

P

P

A
x
G

A
x
N

I
|
I

N

W

T
|
T

P

P

T
x
L

L

W

Q

E

L

E

W

L

S

A

K

A

E

L

Q

M

P

P

N

D

K

P

E

R

E

A

I

T

Q

I

H

R

Y

E

L

G

D

M

K

L

L

A

Q

Q

P

P

L

L

G

G

G

R

M

M

P

G

A

Q

G

P

D

A

V

E

I

V

A

G

D

A

A

A

C

A

L

V

F

F

L

L

L

A

S

S

D

E

A

-

A

A

R

N

F

F

I

C

T

T

G

G

T

I

I

E

L

L

P

L

V

V

S

T

G

G

G

G

A

A

E

E

L

L

G

G

Y

Y

active site: S138 (= S139), Y151 (= Y152), K155 (= K156)
binding N-(1,3-benzodioxol-5-ylmethyl)cyclopentanamine: N183 (≠ A184)
binding nicotinamide-adenine-dinucleotide: D37 (= D37), K38 (= K38), D59 (≠ N60), N86 (= N87), A87 (= A88), G88 (= G89), L110 (≠ V111), S138 (= S139), Y151 (= Y152), K155 (= K156), G182 (≠ A183), I184 (= I185), T186 (= T187), L188 (≠ T189)

Sites not aligning to the query:

active site: 17
binding N-(1,3-benzodioxol-5-ylmethyl)cyclopentanamine: 253
binding nicotinamide-adenine-dinucleotide: 13, 16, 17, 18

6emmA 17beta-hydroxysteroid dehydrogenase 14 variant t205 in complex with salicylic acid
38% identity, 89% coverage: 24:252/256 of query aligns to 24:250/268 of 6emmA

query
sites
6emmA

K

R

A

A

Y

F

S

V

K

N

A

S

G

G

A

A

T

R

V

V

C

V

I

I

L

C

D
|
D

K
|
K

N

D

P

E

I

S

A

G

E

G

S

R

K

A

L

L

N

-

E

E

L

Q

E

E

T

L

A

P

Q

G

K

A

I

V

A

F

I

I

T

L

C

C

N
x
D

L

V

V

T

N

Q

E

E

N

D

E

D

V

V

A

K

A

T

A

L

F

V

E

S

T

E

I

T

I

I

Q

R

K

R

F

F

G

G

N

R

I

L

D

D

A

C

I

V

H

V

N

N

N
|
N

A
|
A

G
|
G

I

H

A

H

H

P

P

P

S

P

K

Q

T

R

L

P

D

E

Q

E

T

T

T

S

D

A

A

Q

E

G

W

F

D

R

L

Q

L

L

M

L

N

E

V
x
L

N

N

L

L

K

L

S

G

I

T

L

Y

Y

T

T

L

T

T

R

K

Y

L

G

A

I

L

E

P

Q

Y

L

L

K

R

K

K

T

S

K

Q

G

G

C

N

I

V

L

I

N

N

T

I

S

S

S
|
S

M

L

V

V

G

G

T

A

I

I

G

G

Q

Q

D

A

N

Q

H

A

A

V

A

P

Y
|
Y

V

V

A

A

T

T

K
|
K

G

G

A

A

I

V

N

T

A

A

L

M

T

T

K

K

A

A

M

L

A

A

L

L

D

D

Y

E

A

S

P

P

Y

Y

Q

G

I

V

R

R

V

V

N

N

A

C

V

I

S

S

P
|
P

A
x
G

A

N

I
|
I

N

W

T
|
T

P

P

T
x
L

L

W

Q

E

L

E

W

L

S

A

K

A

E

L

Q

M

P

P

N

D

K

P

E

R

E

A

I

T

Q

I

H

R

Y

E

L

G

D

M

K

L

L

A

Q

Q

P

P

L

L

G

G

G

R

M

M

P

G

A

Q

G

P

D

A

V

E

I

V

A

G

D

A

A

A

C

A

L

V

F

F

L

L

L

A

S

S

D

E

A

-

A

A

R

N

F

F

I

C

T

T

G

G

T

I

I

E

L

L

P

L

V

V

S

T

G

G

G

G

A

A

E

E

L

L

G

G

Y

Y

active site: S138 (= S139), Y151 (= Y152), K155 (= K156)
binding nicotinamide-adenine-dinucleotide: D37 (= D37), K38 (= K38), D59 (≠ N60), N86 (= N87), A87 (= A88), G88 (= G89), L110 (≠ V111), S138 (= S139), Y151 (= Y152), K155 (= K156), P181 (= P182), G182 (≠ A183), I184 (= I185), T186 (= T187), L188 (≠ T189)

Sites not aligning to the query:

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

6qckA 17beta-hydroxysteroid dehydrogenase 14 variant t205 in complex with fb262 (see paper)
38% identity, 89% coverage: 24:252/256 of query aligns to 24:250/258 of 6qckA

query
sites
6qckA

K

R

A

A

Y

F

S

V

K

N

A

S

G

G

A

A

T

R

V

V

C

V

I

I

L

C

D
|
D

K
|
K

N

D

P

E

I

S

A

G

E

G

S

R

K

A

L

L

N

-

E

E

L

Q

E

E

T

L

A

P

Q

G

K

A

I

V

A

F

I

I

T

L

C

C

N
x
D

L
x
V

V

T

N

Q

E

E

N

D

E

D

V

V

A

K

A

T

A

L

F

V

E

S

T

E

I

T

I

I

Q

R

K

R

F

F

G

G

N

R

I

L

D

D

A

C

I

V

H

V

N

N

N
|
N

A

A

G

G

I

H

A
x
H

H

P

P

P

S
x
P

K

Q

T

R

L

P

D

E

Q

E

T

T

T

S

D

A

A

Q

E

G

W

F

D

R

L

Q

L

L

M

L

N

E

V
x
L

N

N

L

L

K

L

S

G

I

T

L

Y

Y

T

T

L

T

T

R

K

Y

L

G

A

I

L

E

P

Q

Y

L

L

K

R

K

K

T

S

K

Q

G

G

C

N

I

V

L

I

N

N

T

I

S

S

S
|
S

M

L

V

V

G

G

T

A

I

I

G

G

Q
|
Q

D

A

N

Q

H

A

A

V

A

P

Y
|
Y

V

V

A

A

T

T

K
|
K

G

G

A

A

I

V

N

T

A

A

L

M

T

T

K

K

A

A

M

L

A

A

L

L

D

D

Y

E

A

S

P

P

Y

Y

Q

G

I

V

R

R

V

V

N

N

A

C

V

I

S

S

P
|
P

A
x
G

A
x
N

I
|
I

N
x
W

T
|
T

P
|
P

T
x
L

L
x
W

Q
x
E

L

E

W
x
L

S

A

K

A

E

L

Q

M

P

P

N

D

K

P

E

R

E

A

I

T

Q

I

H

R

Y

E

L

G

D

M

K

L

L

A

Q

Q

P

P

L

L

G

G

G

R

M

M

P

G

A

Q

G

P

D

A

V

E

I

V

A

G

D

A

A

A

C

A

L

V

F

F

L

L

L

A

S

S

D

E

A

-

A

A

R

N

F

F

I

C

T

T

G

G

T

I

I

E

L

L

P

L

V

V

S

T

G

G

G

G

A

A

E

E

L

L

G

G

Y

Y

active site: S138 (= S139), Y151 (= Y152), K155 (= K156)
binding beta-D-glucopyranose: W185 (≠ N186), T186 (= T187), P187 (= P188), E190 (≠ Q191)
binding 2-[2-(1,3-benzodioxol-2-yl)ethyl]benzoic acid: H90 (≠ A91), P93 (≠ S94), S138 (= S139), Q145 (= Q146), Y151 (= Y152), L188 (≠ T189), W189 (≠ L190), L192 (≠ W193)
binding nicotinamide-adenine-dinucleotide: D37 (= D37), K38 (= K38), D59 (≠ N60), V60 (≠ L61), N86 (= N87), L110 (≠ V111), S138 (= S139), Y151 (= Y152), K155 (= K156), P181 (= P182), G182 (≠ A183), N183 (≠ A184), I184 (= I185), T186 (= T187), L188 (≠ T189)

Sites not aligning to the query:

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

6zt2A 17beta-hydroxysteroid dehydrogenase type 14 variant s205 in complex with 3-chloro-2,6-difluorophenol
38% identity, 89% coverage: 24:252/256 of query aligns to 23:249/252 of 6zt2A

query
sites
6zt2A

K

R

A

A

Y

F

S

V

K

N

A

S

G

G

A

A

T

R

V

V

C

V

I

I

L

C

D
|
D

K
|
K

N

D

P

E

I

S

A

G

E

G

S

R

K

A

L

L

N

-

E

E

L

Q

E

E

T

L

A

P

Q

G

K

A

I

V

A

F

I

I

T

L

C

C

N
x
D

L
x
V

V

T

N

Q

E

E

N

D

E

D

V

V

A

K

A

T

A

L

F

V

E

S

T

E

I

T

I

I

Q

R

K

R

F

F

G

G

N

R

I

L

D

D

A

C

I

V

H

V

N

N

N
|
N

A

A

G

G

I

H

A
x
H

H

P

P

P

S

P

K

Q

T

R

L

P

D

E

Q

E

T

T

T

S

D

A

A

Q

E

G

W

F

D

R

L

Q

L

L

M

L

N

E

V
x
L

N

N

L

L

K

L

S

G

I

T

L

Y

Y

T

T

L

T

T

R

K

Y

L

G

A

I

L

E

P

Q

Y

L

L

K

R

K

K

T

S

K

Q

G

G

C

N

I

V

L

I

N

N

T

I

S

S

S
|
S

M

L

V

V

G

G

T

A

I

I

G

G

Q

Q

D

A

N

Q

H

A

A

V

A

P

Y
|
Y

V

V

A

A

T

T

K
|
K

G

G

A

A

I

V

N

T

A

A

L

M

T

T

K

K

A

A

M

L

A

A

L

L

D

D

Y

E

A

S

P

P

Y

Y

Q

G

I

V

R

R

V

V

N

N

A

C

V

I

S

S

P
|
P

A
x
G

A
x
N

I
|
I

N
x
W

T
|
T

P
|
P

T
x
L

L
x
W

Q
x
E

L

E

W

L

S

A

K

A

E

L

Q

M

P

P

N

D

K

P

E

R

E

A

I

S

Q

I

H

R

Y

E

L

G

D

M

K

L

L

A

Q

Q

P

P

L

L

G

G

G

R

M

M

P

G

A

Q

G

P

D

A

V

E

I

V

A

G

D

A

A

A

C

A

L

V

F

F

L

L

L

A

S

S

D

E

A

-

A

A

R

N

F

F

I

C

T

T

G

G

T

I

I

E

L

L

P

L

V

V

S

T

G

G

G

G

A

A

E

E

L

L

G

G

Y

Y

binding beta-D-glucopyranose: W184 (≠ N186), T185 (= T187), P186 (= P188), E189 (≠ Q191)
binding nicotinamide-adenine-dinucleotide: D36 (= D37), K37 (= K38), D58 (≠ N60), V59 (≠ L61), N85 (= N87), L109 (≠ V111), S137 (= S139), Y150 (= Y152), K154 (= K156), P180 (= P182), G181 (≠ A183), N182 (≠ A184), I183 (= I185), T185 (= T187), L187 (≠ T189)
binding 3-chloranyl-2,6-bis(fluoranyl)phenol: H89 (≠ A91), S137 (= S139), Y150 (= Y152), N182 (≠ A184), W188 (≠ L190)

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, 89% coverage: 24:252/256 of query aligns to 23:249/252 of 6zdiA

query
sites
6zdiA

K

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A

A

Y

F

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K

N

A

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G

G

A

A

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D

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N

-

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L

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E

E

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K

A

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F

I

I

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C

N
x
D

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V

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D

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D

V

V

A

K

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I

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K

R

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N

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A

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Y

L

L

K

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K

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K

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G

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M

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V

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G

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I

I

G

G

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Y

V

V

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A

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K

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L

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x
W

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L

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L

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K

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M

K

L

L

A

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Q

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P

L

L

G

G

G

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M

M

P

G

A

Q

G

P

D

A

V

E

I

V

A

G

D

A

A

A

C

A

L

V

F

F

L

L

L

A

S

S

D

E

A

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A

A

R

N

F

F

I

C

T

T

G

G

T

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L

V

V

S

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G

G

G

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A

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Y

active site: S137 (= S139), Y150 (= Y152), K154 (= K156)
binding nicotinamide-adenine-dinucleotide: D36 (= D37), K37 (= K38), D58 (≠ N60), V59 (≠ L61), N85 (= N87), A86 (= A88), L109 (≠ V111), I135 (≠ T137), S137 (= S139), Y150 (= Y152), K154 (= K156), P180 (= P182), G181 (≠ A183), N182 (≠ A184), I183 (= I185), T185 (= T187), L187 (≠ T189)
binding 2-fluoranyl-5-nitro-phenol: H89 (≠ A91), S137 (= S139), Y150 (= Y152), L187 (≠ T189), W188 (≠ L190), 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, 89% coverage: 24:252/256 of query aligns to 23:249/252 of 6zdeA

query
sites
6zdeA

K

R

A

A

Y

F

S

V

K

N

A

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G

G

A

A

T

R

V

V

C

V

I

I

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C

D
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D

K
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K

N

D

P

E

I

S

A

G

E

G

S

R

K

A

L

L

N

-

E

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L

Q

E

E

T

L

A

P

Q

G

K

A

I

V

A

F

I

I

T

L

C

C

N
x
D

L
x
V

V

T

N

Q

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N

D

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D

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A

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F

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K

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G

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A

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x
H

H

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x
L

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N

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L

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Y

Y

T

T

L

T

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K

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I

L

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Y

L

L

K

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K

K

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K

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G

G

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I

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N

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S

S
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S

M

L

V

V

G

G

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A

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I

G

G

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Q

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A

N

Q

H

A

A

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A

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Y
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Y

V

V

A

A

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K

G

G

A

A

I

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T

A

A

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M

T

T

K

K

A

A

M

L

A

A

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L

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D

Y

E

A

S

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P

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Y

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G

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R

V

V

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N

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P

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G

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I

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W

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T

P

P

T
x
L

L
x
W

Q

E

L

E

W

L

S

A

K

A

E

L

Q

M

P

P

N

D

K

P

E

R

E

A

I

S

Q

I

H

R

Y

E

L

G

D

M

K

L

L

A

Q

Q

P

P

L

L

G

G

G

R

M

M

P

G

A

Q

G

P

D

A

V

E

I

V

A

G

D

A

A

A

C

A

L

V

F

F

L

L

L

A

S

S

D

E

A

-

A

A

R

N

F

F

I

C

T

T

G

G

T

I

I

E

L

L

P

L

V

V

S

T

G

G

G

G

A

A

E

E

L

L

G

G

Y

Y

active site: S137 (= S139), Y150 (= Y152), K154 (= K156)
binding nicotinamide-adenine-dinucleotide: D36 (= D37), K37 (= K38), D58 (≠ N60), V59 (≠ L61), N85 (= N87), L109 (≠ V111), S137 (= S139), Y150 (= Y152), K154 (= K156), P180 (= P182), G181 (≠ A183), N182 (≠ A184), I183 (= I185), T185 (= T187), L187 (≠ T189)
binding 2,3,4,5,6-pentakis(fluoranyl)phenol: H89 (≠ A91), S137 (= S139), Y150 (= Y152), L187 (≠ T189), W188 (≠ L190)

Sites not aligning to the query:

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

Query Sequence

>CA265_RS04230 FitnessBrowser__Pedo557:CA265_RS04230
MNMLHHKIIILTGGADGIGWECAKAYSKAGATVCILDKNPIAESKLNELETAQKIAITCN
LVNENEVAAAFETIIQKFGNIDAIHNNAGIAHPSKTLDQTTDAEWDLLMNVNLKSILYTT
RYGIEQLKKTKGCILNTSSMVGTIGQDNHAAYVATKGAINALTKAMALDYAPYQIRVNAV
SPAAINTPTLQLWSKEQPNKEEIQHYLDKLQPLGGMPAGDVIADACLFLLSDAARFITGT
ILPVSGGAELGYRTII

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