SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing BPHYT_RS26470 FitnessBrowser__BFirm:BPHYT_RS26470 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)

6ixmC Crystal structure of the ketone reductase chkred20 from the genome of chryseobacterium sp. Ca49 complexed with NAD (see paper)
38% identity, 100% coverage: 1:247/248 of query aligns to 3:247/248 of 6ixmC

query
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6ixmC

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active site: G16 (= G14), S142 (= S140), Y155 (= Y153), K159 (= K157)
binding nicotinamide-adenine-dinucleotide: G12 (= G10), S15 (≠ T13), G16 (= G14), I17 (= I15), D36 (≠ G34), I37 (≠ R35), A61 (= A59), D62 (= D60), T63 (≠ V61), N89 (= N87), A90 (= A88), M140 (≠ V138), S142 (= S140), Y155 (= Y153), K159 (= K157), P185 (= P183), A186 (≠ G184), Y187 (≠ P185), I188 (≠ T186), L192 (≠ M190)

7djsD Crystal structure of isopiperitenol dehydrogenase from pseudomonas aeruginosa complexed with NAD
45% identity, 100% coverage: 1:247/248 of query aligns to 3:250/251 of 7djsD

query
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binding nicotinamide-adenine-dinucleotide: G12 (= G10), G16 (= G14), I17 (= I15), D36 (≠ G34), L37 (≠ R35), C61 (≠ A59), D62 (= D60), V63 (= V61), N89 (= N87), A90 (= A88), T140 (≠ V138), S142 (= S140), Y155 (= Y153), K159 (= K157), A186 (≠ G184), V187 (≠ P185)

4qecA Elxo with NADP bound (see paper)
35% identity, 96% coverage: 6:244/248 of query aligns to 5:244/248 of 4qecA

query
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4qecA

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active site: G13 (= G14), N111 (= N112), S139 (= S140), Y152 (= Y153), K156 (= K157)
binding nadp nicotinamide-adenine-dinucleotide phosphate: K12 (≠ T13), G13 (= G14), I14 (= I15), S33 (≠ G34), R34 (= R35), K38 (≠ E39), D59 (= D60), V60 (= V61), N86 (= N87), A87 (= A88), G88 (= G89), I137 (≠ V138), Y152 (= Y153), K156 (= K157), P182 (= P183), I185 (≠ T186)

3osuA Crystal structure of the 3-oxoacyl-acyl carrier protein reductase, fabg, from staphylococcus aureus
38% identity, 96% coverage: 7:244/248 of query aligns to 8:243/246 of 3osuA

query
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3osuA

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active site: G15 (= G14), S141 (= S140), Q151 (≠ A150), Y154 (= Y153), K158 (= K157)
binding magnesium ion: N89 (= N87), K158 (= K157)

4nbuB Crystal structure of fabg from bacillus sp (see paper)
37% identity, 98% coverage: 1:244/248 of query aligns to 5:241/244 of 4nbuB

query
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4nbuB

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|
T

G

A

M
|
M

L

V

D

A

R

E

F

-

T

-

G

-

T

V

P

P

E

E

N

K

-

V

K

I

A

E

A
x
K

L

M

A

K

A

A

K

Q

V

V

P

P

L

M

G

G

R

R

V

L

G

G

Q

K

P

P

V

E

D

D

V

I

A

A

R

N

A

A

V

Y

V

L

F

F

L

L

A

A

S

S

E

H

A

E

A

S

S

D

F

Y

I

V

T

N

G

G

Q

H

I

V

L

L

T

H

V

V

D

D

G

G

G

G

active site: G18 (= G14), N111 (= N112), S139 (= S140), Q149 (≠ A150), Y152 (= Y153), K156 (= K157)
binding acetoacetyl-coenzyme a: D93 (≠ P94), K98 (≠ S99), S139 (= S140), N146 (≠ A147), V147 (≠ A148), Q149 (≠ A150), Y152 (= Y153), F184 (≠ P185), M189 (= M190), K200 (≠ A203)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G10), N17 (≠ T13), G18 (= G14), I19 (= I15), D38 (≠ G34), F39 (≠ R35), V59 (≠ A59), D60 (= D60), V61 (= V61), N87 (= N87), A88 (= A88), G89 (= G89), I90 (≠ T90), T137 (≠ V138), S139 (= S140), Y152 (= Y153), K156 (= K157), P182 (= P183), F184 (≠ P185), T185 (= T186), T187 (= T188), M189 (= M190)

6zt2A 17beta-hydroxysteroid dehydrogenase type 14 variant s205 in complex with 3-chloro-2,6-difluorophenol
40% identity, 92% coverage: 22:248/248 of query aligns to 24:248/252 of 6zt2A

query
sites
6zt2A

A

A

F

F

A

V

D

N

S

S

G

G

A

A

R

R

L

V

V

V

V

I

S

C

G
x
D

R
x
K

R

D

E

E

V

S

E

G

G

G

K

R

A

A

L

L

E

E

K

Q

E

E

L

L

R

-

E

-

L

-

G

-

A

P

D

G

A

A

H

V

F

F

I

I

Q

L

A

C

D
|
D

V
|
V

R

T

R

Q

D

E

D

D

E

D

V

V

A

K

N

T

L

L

V

V

D

S

Q

E

T

T

V

I

A

R

R

R

F

F

G

G

R

R

I

L

D

D

A

C

A

V

V

V

N

N

N
|
N

A

A

G

G

T

H

E
x
H

G

P

Q

P

P

P

G

Q

A

R

I

P

T

E

S

E

Q

T

T

S

V

A

E

Q

S

G

Y

F

S

R

A

Q

T

L

F

L

D

E

T
x
L

N

N

V

L

L

L

G

G

T

T

L

Y

L

T

S

L

M

T

K

K

H

L

E

A

L

L

R

P

V

Y

M

L

S

R

A

-

Q

K

K

S

S

Q

G

G

S

N

V

V

V

I

N

N

V

I

S

S

S
|
S

T

L

Y

V

G

G

H

A

E

I

G

G

A

Q

A

A

F

Q

A

A

S

V

V

P

Y
|
Y

A

V

G

A

S

T

K
|
K

H

G

A

A

V

V

E

T

G

A

M

M

T

T

K

K

S

A

A

L

A

A

L

L

E

D

V

E

A

S

S

P

T

Y

G

G

V

V

R

R

V

V

N

N

A

C

V

I

A

S

P
|
P

G
|
G

P
x
N

T
x
I

D
x
W

T
|
T

G
x
P

M
x
L

L
x
W

D
x
E

R

E

F

L

T

A

G

A

-

L

T

M

P

P

E

D

N

P

K

R

A

A

A

S

L

I

A

R

A

E

K

G

V

M

-

L

-

A

-

Q

P

P

L

L

G

G

R

R

V

M

G

G

Q

Q

P

P

V

A

D

E

V

V

A

G

R

A

A

A

V

A

V

V

F

F

L

L

A

A

S

S

E

E

A

-

A

A

S

N

F

F

I

C

T

T

G

G

Q

I

I

E

L

L

T

L

V

V

D

T

G

G

G

G

K

A

T

E

A

L

G

G

binding beta-D-glucopyranose: W184 (≠ D187), T185 (= T188), P186 (≠ G189), E189 (≠ D192)
binding nicotinamide-adenine-dinucleotide: D36 (≠ G34), K37 (≠ R35), D58 (= D60), V59 (= V61), N85 (= N87), L109 (≠ T111), S137 (= S140), Y150 (= Y153), K154 (= K157), P180 (= P183), G181 (= G184), N182 (≠ P185), I183 (≠ T186), T185 (= T188), L187 (≠ M190)
binding 3-chloranyl-2,6-bis(fluoranyl)phenol: H89 (≠ E91), S137 (= S140), Y150 (= Y153), N182 (≠ P185), W188 (≠ L191)

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
40% identity, 92% coverage: 22:248/248 of query aligns to 24:248/252 of 6zdiA

query
sites
6zdiA

A

A

F

F

A

V

D

N

S

S

G

G

A

A

R

R

L

V

V

V

V

I

S

C

G
x
D

R
x
K

R

D

E

E

V

S

E

G

G

G

K

R

A

A

L

L

E

E

K

Q

E

E

L

L

R

-

E

-

L

-

G

-

A

P

D

G

A

A

H

V

F

F

I

I

Q

L

A

C

D
|
D

V
|
V

R

T

R

Q

D

E

D

D

E

D

V

V

A

K

N

T

L

L

V

V

D

S

Q

E

T

T

V

I

A

R

R

R

F

F

G

G

R

R

I

L

D

D

A

C

A

V

V

V

N

N

N
|
N

A
|
A

G

G

T

H

E
x
H

G

P

Q

P

P

P

G

Q

A

R

I

P

T

E

S

E

Q

T

T

S

V

A

E

Q

S

G

Y

F

S

R

A

Q

T

L

F

L

D

E

T
x
L

N

N

V

L

L

L

G

G

T

T

L

Y

L

T

S

L

M

T

K

K

H

L

E

A

L

L

R

P

V

Y

M

L

S

R

A

-

Q

K

K

S

S

Q

G

G

S

N

V

V

V

I

N

N

V
x
I

S

S

S
|
S

T

L

Y

V

G

G

H

A

E

I

G

G

A

Q

A

A

F

Q

A

A

S

V

V

P

Y
|
Y

A

V

G

A

S

T

K
|
K

H

G

A

A

V

V

E

T

G

A

M

M

T

T

K

K

S

A

A

L

A

A

L

L

E

D

V

E

A

S

S

P

T

Y

G

G

V

V

R

R

V

V

N

N

A

C

V

I

A

S

P
|
P

G
|
G

P
x
N

T
x
I

D

W

T
|
T

G

P

M
x
L

L
x
W

D

E

R

E

F
x
L

T

A

G

A

-

L

T

M

P

P

E

D

N

P

K

R

A

A

A

S

L

I

A

R

A

E

K

G

V

M

-

L

-

A

-

Q

P

P

L

L

G

G

R

R

V

M

G

G

Q

Q

P

P

V

A

D

E

V

V

A

G

R

A

A

A

V

A

V

V

F

F

L

L

A

A

S

S

E

E

A

-

A

A

S

N

F

F

I

C

T

T

G

G

Q

I

I

E

L

L

T

L

V

V

D

T

G

G

G

G

K

A

T

E

A

L

G

G

active site: S137 (= S140), Y150 (= Y153), K154 (= K157)
binding nicotinamide-adenine-dinucleotide: D36 (≠ G34), K37 (≠ R35), D58 (= D60), V59 (= V61), N85 (= N87), A86 (= A88), L109 (≠ T111), I135 (≠ V138), S137 (= S140), Y150 (= Y153), K154 (= K157), P180 (= P183), G181 (= G184), N182 (≠ P185), I183 (≠ T186), T185 (= T188), L187 (≠ M190)
binding 2-fluoranyl-5-nitro-phenol: H89 (≠ E91), S137 (= S140), Y150 (= Y153), L187 (≠ M190), W188 (≠ L191), L191 (≠ F194)

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
40% identity, 92% coverage: 22:248/248 of query aligns to 24:248/252 of 6zdeA

query
sites
6zdeA

A

A

F

F

A

V

D

N

S

S

G

G

A

A

R

R

L

V

V

V

V

I

S

C

G
x
D

R
x
K

R

D

E

E

V

S

E

G

G

G

K

R

A

A

L

L

E

E

K

Q

E

E

L

L

R

-

E

-

L

-

G

-

A

P

D

G

A

A

H

V

F

F

I

I

Q

L

A

C

D
|
D

V
|
V

R

T

R

Q

D

E

D

D

E

D

V

V

A

K

N

T

L

L

V

V

D

S

Q

E

T

T

V

I

A

R

R

R

F

F

G

G

R

R

I

L

D

D

A

C

A

V

V

V

N

N

N
|
N

A

A

G

G

T

H

E
x
H

G

P

Q

P

P

P

G

Q

A

R

I

P

T

E

S

E

Q

T

T

S

V

A

E

Q

S

G

Y

F

S

R

A

Q

T

L

F

L

D

E

T
x
L

N

N

V

L

L

L

G

G

T

T

L

Y

L

T

S

L

M

T

K

K

H

L

E

A

L

L

R

P

V

Y

M

L

S

R

A

-

Q

K

K

S

S

Q

G

G

S

N

V

V

V

I

N

N

V

I

S

S

S
|
S

T

L

Y

V

G

G

H

A

E

I

G

G

A

Q

A

A

F

Q

A

A

S

V

V

P

Y
|
Y

A

V

G

A

S

T

K
|
K

H

G

A

A

V

V

E

T

G

A

M

M

T

T

K

K

S

A

A

L

A

A

L

L

E

D

V

E

A

S

S

P

T

Y

G

G

V

V

R

R

V

V

N

N

A

C

V

I

A

S

P
|
P

G
|
G

P
x
N

T
x
I

D

W

T
|
T

G

P

M
x
L

L
x
W

D

E

R

E

F

L

T

A

G

A

-

L

T

M

P

P

E

D

N

P

K

R

A

A

A

S

L

I

A

R

A

E

K

G

V

M

-

L

-

A

-

Q

P

P

L

L

G

G

R

R

V

M

G

G

Q

Q

P

P

V

A

D

E

V

V

A

G

R

A

A

A

V

A

V

V

F

F

L

L

A

A

S

S

E

E

A

-

A

A

S

N

F

F

I

C

T

T

G

G

Q

I

I

E

L

L

T

L

V

V

D

T

G

G

G

G

K

A

T

E

A

L

G

G

active site: S137 (= S140), Y150 (= Y153), K154 (= K157)
binding nicotinamide-adenine-dinucleotide: D36 (≠ G34), K37 (≠ R35), D58 (= D60), V59 (= V61), N85 (= N87), L109 (≠ T111), S137 (= S140), Y150 (= Y153), K154 (= K157), P180 (= P183), G181 (= G184), N182 (≠ P185), I183 (≠ T186), T185 (= T188), L187 (≠ M190)
binding 2,3,4,5,6-pentakis(fluoranyl)phenol: H89 (≠ E91), S137 (= S140), Y150 (= Y153), L187 (≠ M190), W188 (≠ L191)

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)
40% identity, 92% coverage: 22:248/248 of query aligns to 25:249/258 of 6qckA

query
sites
6qckA

A

A

F

F

A

V

D

N

S

S

G

G

A

A

R

R

L

V

V

V

V

I

S

C

G
x
D

R
x
K

R

D

E

E

V

S

E

G

G

G

K

R

A

A

L

L

E

E

K

Q

E

E

L

L

R

-

E

-

L

-

G

-

A

P

D

G

A

A

H

V

F

F

I

I

Q

L

A

C

D
|
D

V
|
V

R

T

R

Q

D

E

D

D

E

D

V

V

A

K

N

T

L

L

V

V

D

S

Q

E

T

T

V

I

A

R

R

R

F

F

G

G

R

R

I

L

D

D

A

C

A

V

V

V

N

N

N
|
N

A

A

G

G

T

H

E
x
H

G

P

Q

P

P
|
P

G

Q

A

R

I

P

T

E

S

E

Q

T

T

S

V

A

E

Q

S

G

Y

F

S

R

A

Q

T

L

F

L

D

E

T
x
L

N

N

V

L

L

L

G

G

T

T

L

Y

L

T

S

L

M

T

K

K

H

L

E

A

L

L

R

P

V

Y

M

L

S

R

A

-

Q

K

K

S

S

Q

G

G

S

N

V

V

V

I

N

N

V

I

S

S

S
|
S

T

L

Y

V

G

G

H

A

E

I

G

G

A
x
Q

A

A

F

Q

A

A

S

V

V

P

Y
|
Y

A

V

G

A

S

T

K
|
K

H

G

A

A

V

V

E

T

G

A

M

M

T

T

K

K

S

A

A

L

A

A

L

L

E

D

V

E

A

S

S

P

T

Y

G

G

V

V

R

R

V

V

N

N

A

C

V

I

A

S

P
|
P

G
|
G

P
x
N

T
x
I

D
x
W

T
|
T

G
x
P

M
x
L

L
x
W

D
x
E

R

E

F
x
L

T

A

G

A

-

L

T

M

P

P

E

D

N

P

K

R

A

A

A

T

L

I

A

R

A

E

K

G

V

M

-

L

-

A

-

Q

P

P

L

L

G

G

R

R

V

M

G

G

Q

Q

P

P

V

A

D

E

V

V

A

G

R

A

A

A

V

A

V

V

F

F

L

L

A

A

S

S

E

E

A

-

A

A

S

N

F

F

I

C

T

T

G

G

Q

I

I

E

L

L

T

L

V

V

D

T

G

G

G

G

K

A

T

E

A

L

G

G

active site: S138 (= S140), Y151 (= Y153), K155 (= K157)
binding beta-D-glucopyranose: W185 (≠ D187), T186 (= T188), P187 (≠ G189), E190 (≠ D192)
binding 2-[2-(1,3-benzodioxol-2-yl)ethyl]benzoic acid: H90 (≠ E91), P93 (= P94), S138 (= S140), Q145 (≠ A147), Y151 (= Y153), L188 (≠ M190), W189 (≠ L191), L192 (≠ F194)
binding nicotinamide-adenine-dinucleotide: D37 (≠ G34), K38 (≠ R35), D59 (= D60), V60 (= V61), N86 (= N87), L110 (≠ T111), S138 (= S140), Y151 (= Y153), K155 (= K157), P181 (= P183), G182 (= G184), N183 (≠ P185), I184 (≠ T186), T186 (= T188), L188 (≠ M190)

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)
40% identity, 92% coverage: 22:248/248 of query aligns to 24:248/255 of 5o72A

query
sites
5o72A

A

A

F

F

A

V

D

N

S

S

G

G

A

A

R

R

L

V

V

V

V

I

S

C

G
x
D

R
x
K

R

D

E

E

V

S

E

G

G

G

K

R

A

A

L

L

E

E

K

Q

E

E

L

L

R

-

E

-

L

-

G

-

A

P

D

G

A

A

H

V

F

F

I

I

Q

L

A

C

D
|
D

V
|
V

R

T

R

Q

D

E

D

D

E

D

V

V

A

K

N

T

L

L

V

V

D

S

Q

E

T

T

V

I

A

R

R

R

F

F

G

G

R

R

I

L

D

D

A

C

A

V

V

V

N

N

N
|
N

A

A

G

G

T

H

E
x
H

G

P

Q

P

P

P

G

Q

A

R

I

P

T

E

S

E

Q

T

T

S

V

A

E

Q

S

G

Y

F

S

R

A

Q

T

L

F

L

D

E

T
x
L

N

N

V

L

L

L

G

G

T

T

L

Y

L

T

S

L

M

T

K

K

H

L

E

A

L

L

R

P

V

Y

M

L

S

R

A

-

Q

K

K

S

S

Q

G

G

S

N

V

V

V

I

N

N

V

I

S

S

S
|
S

T

L

Y

V

G

G

H

A

E

I

G

G

A

Q

A

A

F

Q

A

A

S

V

V

P

Y
|
Y

A

V

G

A

S

T

K
|
K

H

G

A

A

V

V

E

T

G

A

M

M

T

T

K

K

S

A

A

L

A

A

L

L

E

D

V

E

A

S

S

P

T

Y

G

G

V

V

R

R

V

V

N

N

A

C

V

I

A

S

P
|
P

G
|
G

P
x
N

T
x
I

D

W

T
|
T

G

P

M
x
L

L
x
W

D

E

R

E

F
x
L

T

A

G

A

-

L

T

M

P

P

E

D

N

P

K

R

A

A

A

T

L

I

A

R

A

E

K

G

V

M

-

L

-

A

-

Q

P

P

L

L

G

G

R

R

V

M

G

G

Q

Q

P

P

V

A

D

E

V

V

A

G

R

A

A

A

V

A

V

V

F

F

L

L

A

A

S

S

E

E

A

-

A

A

S

N

F

F

I

C

T

T

G

G

Q

I

I

E

L

L

T

L

V

V

D

T

G

G

G

G

K

A

T

E

A

L

G

G

active site: S137 (= S140), Y150 (= Y153), K154 (= K157)
binding 2-azanyl-~{N}-[2-(4-fluoranyl-3-oxidanyl-phenyl)carbonylquinolin-7-yl]ethanamide: H89 (≠ E91), S137 (= S140), Y150 (= Y153), N182 (≠ P185), W188 (≠ L191), L191 (≠ F194)
binding nicotinamide-adenine-dinucleotide: D36 (≠ G34), K37 (≠ R35), D58 (= D60), V59 (= V61), N85 (= N87), L109 (≠ T111), Y150 (= Y153), K154 (= K157), P180 (= P183), G181 (= G184), N182 (≠ P185), I183 (≠ T186), T185 (= T188), L187 (≠ M190)

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
40% identity, 92% coverage: 22:248/248 of query aligns to 25:249/257 of 6gtbA

query
sites
6gtbA

A

A

F

F

A

V

D

N

S

S

G

G

A

A

R

R

L

V

V

V

V

I

S

C

G
x
D

R
x
K

R

D

E

E

V

S

E

G

G

G

K

R

A

A

L

L

E

E

K

Q

E

E

L

L

R

-

E

-

L

-

G

-

A

P

D

G

A

A

H

V

F

F

I

I

Q

L

A

C

D
|
D

V
|
V

R

T

R

Q

D

E

D

D

E

D

V

V

A

K

N

T

L

L

V

V

D

S

Q

E

T

T

V

I

A

R

R

R

F

F

G

G

R

R

I

L

D

D

A

C

A

V

V

V

N

N

N
|
N

A

A

G

G

T

H

E
x
H

G

P

Q

P

P
|
P

G

Q

A

R

I

P

T

E

S

E

Q

T

T

S

V

A

E

Q

S

G

Y

F

S

R

A

Q

T

L

F

L

D

E

T
x
L

N

N

V

L

L

L

G

G

T

T

L

Y

L

T

S

L

M

T

K

K

H

L

E

A

L

L

R

P

V

Y

M

L

S

R

A

-

Q

K

K

S

S

Q

G

G

S

N

V

V

V

I

N

N

V

I

S

S

S
|
S

T

L

Y

V

G

G

H

A

E

I

G

G

A
x
Q

A
|
A

F
x
Q

A

A

S

V

V

P

Y
|
Y

A

V

G

A

S

T

K
|
K

H

G

A

A

V

V

E

T

G

A

M

M

T

T

K

K

S

A

A

L

A

A

L

L

E

D

V

E

A

S

S

P

T

Y

G

G

V

V

R

R

V

V

N

N

A

C

V

I

A

S

P
|
P

G
|
G

P
x
N

T
x
I

D
x
W

T
|
T

G
x
P

M
x
L

L
x
W

D
x
E

R

E

F
x
L

T

A

G

A

-

L

T
x
M

P

P

E

D

N

P

K

R

A

A

A

T

L

I

A

R

A

E

K

G

V

M

-

L

-

A

-

Q

P

P

L

L

G

G

R

R

V

M

G

G

Q

Q

P

P

V

A

D

E

V

V

A

G

R

A

A

A

V

A

V

V

F

F

L

L

A

A

S

S

E

E

A

-

A

A

S

N

F

F

I

C

T

T

G

G

Q

I

I

E

L

L

T

L

V

V

D

T

G

G

G

G

K

A

T

E

A

L

G

G

active site: S138 (= S140), Y151 (= Y153), K155 (= K157)
binding beta-D-glucopyranose: W185 (≠ D187), T186 (= T188), P187 (≠ G189), E190 (≠ D192)
binding 3-[6-(3-hydroxyphenyl)pyridin-2-yl]benzoic acid: H90 (≠ E91), P93 (= P94), S138 (= S140), Q145 (≠ A147), A146 (= A148), Q147 (≠ F149), Y151 (= Y153), W189 (≠ L191), L192 (≠ F194), M196 (≠ T197)
binding nicotinamide-adenine-dinucleotide: D37 (≠ G34), K38 (≠ R35), D59 (= D60), V60 (= V61), N86 (= N87), L110 (≠ T111), S138 (= S140), Y151 (= Y153), K155 (= K157), P181 (= P183), G182 (= G184), N183 (≠ P185), I184 (≠ T186), T186 (= T188), L188 (≠ M190)

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)
40% identity, 92% coverage: 22:248/248 of query aligns to 25:249/257 of 5o7cA

query
sites
5o7cA

A

A

F

F

A

V

D

N

S

S

G

G

A

A

R

R

L

V

V

V

V

I

S

C

G
x
D

R
x
K

R

D

E

E

V

S

E

G

G

G

K

R

A

A

L

L

E

E

K

Q

E

E

L

L

R

-

E

-

L

-

G

-

A

P

D

G

A

A

H

V

F

F

I

I

Q

L

A

C

D
|
D

V
|
V

R

T

R

Q

D

E

D

D

E

D

V

V

A

K

N

T

L

L

V

V

D

S

Q

E

T

T

V

I

A

R

R

R

F

F

G

G

R

R

I

L

D

D

A

C

A

V

V

V

N

N

N
|
N

A
|
A

G

G

T

H

E
x
H

G

P

Q

P

P
|
P

G

Q

A

R

I

P

T

E

S

E

Q

T

T

S

V

A

E

Q

S

G

Y

F

S

R

A

Q

T

L

F

L

D

E

T
x
L

N

N

V

L

L

L

G

G

T

T

L

Y

L

T

S

L

M

T

K

K

H

L

E

A

L

L

R

P

V

Y

M

L

S

R

A

-

Q

K

K

S

S

Q

G

G

S

N

V

V

V

I

N

N

V

I

S

S

S
|
S

T

L

Y

V

G

G

H

A

E

I

G

G

A

Q

A

A

F

Q

A

A

S

V

V

P

Y
|
Y

A

V

G

A

S

T

K
|
K

H

G

A

A

V

V

E

T

G

A

M

M

T

T

K

K

S

A

A

L

A

A

L

L

E

D

V

E

A

S

S

P

T

Y

G

G

V

V

R

R

V

V

N

N

A

C

V

I

A

S

P
|
P

G
|
G

P
x
N

T
x
I

D
x
W

T
|
T

G
x
P

M
x
L

L
x
W

D
x
E

R

E

F
x
L

T

A

G

A

-

L

T

M

P

P

E

D

N

P

K

R

A

A

A
x
T

L

I

A

R

A

E

K

G

V

M

-

L

-

A

-

Q

P

P

L

L

G

G

R

R

V

M

G

G

Q

Q

P

P

V

A

D

E

V

V

A

G

R

A

A

A

V

A

V

V

F

F

L

L

A

A

S

S

E

E

A

-

A

A

S

N

F

F

I

C

T

T

G

G

Q

I

I

E

L

L

T

L

V

V

D

T

G

G

G

G

K

A

T

E

A

L

G

G

active site: S138 (= S140), Y151 (= Y153), K155 (= K157)
binding 2-(4-fluoranyl-3-oxidanyl-phenyl)carbonylquinoline-7-carbonitrile: H90 (≠ E91), P93 (= P94), S138 (= S140), Y151 (= Y153), N183 (≠ P185), W189 (≠ L191), L192 (≠ F194), T202 (≠ A203)
binding beta-D-glucopyranose: W185 (≠ D187), T186 (= T188), P187 (≠ G189), E190 (≠ D192)
binding nicotinamide-adenine-dinucleotide: D37 (≠ G34), K38 (≠ R35), D59 (= D60), V60 (= V61), N86 (= N87), A87 (= A88), L110 (≠ T111), S138 (= S140), Y151 (= Y153), K155 (= K157), P181 (= P183), G182 (= G184), N183 (≠ P185), I184 (≠ T186), T186 (= T188), L188 (≠ M190)

Sites not aligning to the query:

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

5o6zA 17beta-hydroxysteroid dehydrogenase 14 variant t205 in complex with a non-steroidal quinoline based inhibitor (see paper)
40% identity, 92% coverage: 22:248/248 of query aligns to 25:249/257 of 5o6zA

query
sites
5o6zA

A

A

F

F

A

V

D

N

S

S

G

G

A

A

R

R

L

V

V

V

V

I

S

C

G
x
D

R
x
K

R

D

E

E

V

S

E

G

G

G

K

R

A

A

L

L

E

E

K

Q

E

E

L

L

R

-

E

-

L

-

G

-

A

P

D

G

A

A

H

V

F

F

I

I

Q

L

A

C

D
|
D

V
|
V

R

T

R

Q

D

E

D

D

E

D

V

V

A

K

N

T

L

L

V

V

D

S

Q

E

T

T

V

I

A

R

R

R

F

F

G

G

R

R

I

L

D

D

A

C

A

V

V

V

N

N

N
|
N

A

A

G

G

T

H

E
x
H

G

P

Q

P

P

P

G

Q

A

R

I

P

T

E

S

E

Q

T

T

S

V

A

E

Q

S

G

Y

F

S

R

A

Q

T

L

F

L

D

E

T
x
L

N

N

V

L

L

L

G

G

T

T

L

Y

L

T

S

L

M

T

K

K

H

L

E

A

L

L

R

P

V

Y

M

L

S

R

A

-

Q

K

K

S

S

Q

G

G

S

N

V

V

V

I

N

N

V

I

S

S

S
|
S

T

L

Y

V

G

G

H

A

E

I

G

G

A

Q

A

A

F

Q

A

A

S

V

V

P

Y
|
Y

A

V

G

A

S

T

K
|
K

H

G

A

A

V

V

E

T

G

A

M

M

T

T

K

K

S

A

A

L

A

A

L

L

E

D

V

E

A

S

S

P

T

Y

G

G

V

V

R

R

V

V

N

N

A

C

V

I

A

S

P
|
P

G
|
G

P
x
N

T
x
I

D
x
W

T
|
T

G
x
P

M
x
L

L
x
W

D
x
E

R

E

F
x
L

T

A

G

A

-

L

T

M

P

P

E

D

N

P

K

R

A

A

A

T

L

I

A

R

A

E

K

G

V

M

-

L

-

A

-

Q

P

P

L

L

G

G

R

R

V

M

G

G

Q

Q

P

P

V

A

D

E

V

V

A

G

R

A

A

A

V

A

V

V

F

F

L

L

A

A

S

S

E

E

A

-

A

A

S

N

F

F

I

C

T

T

G

G

Q

I

I

E

L

L

T

L

V

V

D

T

G

G

G

G

K

A

T

E

A

L

G

G

active site: S138 (= S140), Y151 (= Y153), K155 (= K157)
binding (4-fluoranyl-3-oxidanyl-phenyl)-quinolin-2-yl-methanone: H90 (≠ E91), S138 (= S140), Y151 (= Y153), N183 (≠ P185), W189 (≠ L191), L192 (≠ F194)
binding beta-D-glucopyranose: W185 (≠ D187), T186 (= T188), P187 (≠ G189), E190 (≠ D192)
binding nicotinamide-adenine-dinucleotide: D37 (≠ G34), K38 (≠ R35), D59 (= D60), V60 (= V61), N86 (= N87), L110 (≠ T111), S138 (= S140), Y151 (= Y153), K155 (= K157), P181 (= P183), G182 (= G184), I184 (≠ T186), T186 (= T188), L188 (≠ M190)

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)
40% identity, 92% coverage: 22:248/248 of query aligns to 24:248/253 of 5o6xA

query
sites
5o6xA

A

A

F

F

A

V

D

N

S

S

G

G

A

A

R

R

L

V

V

V

V

I

S

C

G
x
D

R
x
K

R

D

E

E

V

S

E

G

G

G

K

R

A

A

L

L

E

E

K

Q

E

E

L

L

R

-

E

-

L

-

G

-

A

P

D

G

A

A

H

V

F

F

I

I

Q

L

A

C

D
|
D

V
|
V

R

T

R

Q

D

E

D

D

E

D

V

V

A

K

N

T

L

L

V

V

D

S

Q

E

T

T

V

I

A

R

R

R

F

F

G

G

R

R

I

L

D

D

A

C

A

V

V

V

N

N

N
|
N

A

A

G
|
G

T

H

E
x
H

G

P

Q

P

P

P

G

Q

A

R

I

P

T

E

S

E

Q

T

T

S

V

A

E

Q

S

G

Y

F

S

R

A

Q

T

L

F

L

D

E

T
x
L

N

N

V

L

L

L

G

G

T

T

L

Y

L

T

S

L

M

T

K

K

H

L

E

A

L

L

R

P

V

Y

M

L

S

R

A

-

Q

K

K

S

S

Q

G

G

S

N

V

V

V

I

N

N

V

I

S

S

S
|
S

T
x
L

Y
x
V

G

G

H

A

E

I

G

G

A
x
Q

A

A

F

Q

A

A

S

V

V

P

Y
|
Y

A

V

G

A

S

T

K
|
K

H

G

A

A

V

V

E

T

G

A

M

M

T

T

K

K

S

A

A

L

A

A

L

L

E

D

V

E

A

S

S

P

T

Y

G

G

V

V

R

R

V

V

N

N

A

C

V

I

A

S

P
|
P

G
|
G

P
x
N

T
x
I

D
x
W

T
|
T

G
x
P

M
x
L

L
x
W

D
x
E

R

E

F
x
L

T

A

G

A

-

L

T

M

P

P

E

D

N

P

K

R

A

A

A

T

L

I

A

R

A

E

K

G

V

M

-

L

-

A

-

Q

P

P

L

L

G

G

R

R

V

M

G

G

Q

Q

P

P

V

A

D

E

V

V

A

G

R

A

A

A

V

A

V

V

F

F

L

L

A

A

S

S

E

E

A

-

A

A

S

N

F

F

I

C

T

T

G

G

Q

I

I

E

L

L

T

L

V

V

D

T

G

G

G

G

K

A

T

E

A

L

G

G

active site: S137 (= S140), Y150 (= Y153), K154 (= K157)
binding (4-fluoranyl-3-oxidanyl-phenyl)-(6-methylquinolin-2-yl)methanone: H89 (≠ E91), S137 (= S140), L138 (≠ T141), V139 (≠ Y142), Q144 (≠ A147), G181 (= G184), N182 (≠ P185), W188 (≠ L191), L191 (≠ F194)
binding beta-D-glucopyranose: W184 (≠ D187), T185 (= T188), P186 (≠ G189), E189 (≠ D192)
binding nicotinamide-adenine-dinucleotide: D36 (≠ G34), K37 (≠ R35), D58 (= D60), V59 (= V61), N85 (= N87), G87 (= G89), L109 (≠ T111), S137 (= S140), Y150 (= Y153), K154 (= K157), P180 (= P183), G181 (= G184), I183 (≠ T186), T185 (= T188), L187 (≠ M190)

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)
40% identity, 92% coverage: 22:248/248 of query aligns to 25:249/256 of 5o6oA

query
sites
5o6oA

A

A

F

F

A

V

D

N

S

S

G

G

A

A

R

R

L

V

V

V

V

I

S

C

G
x
D

R
x
K

R

D

E

E

V

S

E

G

G

G

K

R

A

A

L

L

E

E

K

Q

E

E

L

L

R

-

E

-

L

-

G

-

A

P

D

G

A

A

H

V

F

F

I

I

Q

L

A

C

D
|
D

V
|
V

R

T

R

Q

D

E

D

D

E

D

V

V

A

K

N

T

L

L

V

V

D

S

Q

E

T

T

V

I

A

R

R

R

F

F

G

G

R

R

I

L

D

D

A

C

A

V

V

V

N

N

N
|
N

A

A

G

G

T

H

E
x
H

G

P

Q

P

P

P

G

Q

A

R

I

P

T

E

S

E

Q

T

T

S

V

A

E

Q

S

G

Y

F

S

R

A

Q

T

L

F

L

D

E

T
x
L

N

N

V

L

L

L

G

G

T

T

L

Y

L

T

S

L

M

T

K

K

H

L

E

A

L

L

R

P

V

Y

M

L

S

R

A

-

Q

K

K

S

S

Q

G

G

S

N

V

V

V

I

N

N

V

I

S

S

S
|
S

T

L

Y

V

G

G

H

A

E

I

G

G

A
x
Q

A
|
A

F
x
Q

A

A

S

V

V

P

Y
|
Y

A

V

G

A

S

T

K
|
K

H

G

A

A

V

V

E

T

G

A

M

M

T

T

K

K

S

A

A

L

A

A

L

L

E

D

V

E

A

S

S

P

T

Y

G

G

V

V

R

R

V

V

N

N

A

C

V

I

A

S

P
|
P

G
|
G

P
x
N

T
x
I

D
x
W

T
|
T

G
x
P

M
x
L

L
x
W

D
x
E

R

E

F
x
L

T

A

G

A

-

L

T

M

P

P

E

D

N

P

K

R

A

A

A

T

L

I

A

R

A

E

K

G

V

M

-

L

-

A

-

Q

P

P

L

L

G

G

R

R

V

M

G

G

Q

Q

P

P

V

A

D

E

V

V

A

G

R

A

A

A

V

A

V

V

F

F

L

L

A

A

S

S

E

E

A

-

A

A

S

N

F

F

I

C

T

T

G

G

Q

I

I

E

L

L

T

L

V

V

D

T

G

G

G

G

K

A

T

E

A

L

G

G

active site: S138 (= S140), Y151 (= Y153), K155 (= K157)
binding 2-fluoranyl-3-[6-(4-fluoranyl-3-oxidanyl-phenoxy)pyridin-2-yl]phenol: H90 (≠ E91), S138 (= S140), Q145 (≠ A147), A146 (= A148), Q147 (≠ F149), Y151 (= Y153), N183 (≠ P185), W189 (≠ L191), L192 (≠ F194)
binding beta-D-glucopyranose: W185 (≠ D187), T186 (= T188), P187 (≠ G189), E190 (≠ D192)
binding nicotinamide-adenine-dinucleotide: D37 (≠ G34), K38 (≠ R35), D59 (= D60), V60 (= V61), N86 (= N87), L110 (≠ T111), S138 (= S140), Y151 (= Y153), K155 (= K157), P181 (= P183), G182 (= G184), N183 (≠ P185), I184 (≠ T186), T186 (= T188), L188 (≠ M190)

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)
40% identity, 92% coverage: 22:248/248 of query aligns to 25:249/256 of 5o42A

query
sites
5o42A

A

A

F

F

A

V

D

N

S

S

G

G

A

A

R

R

L

V

V

V

V

I

S

C

G
x
D

R
x
K

R

D

E

E

V

S

E

G

G

G

K

R

A

A

L

L

E

E

K

Q

E

E

L

L

R

-

E

-

L

-

G

-

A

P

D

G

A

A

H

V

F

F

I

I

Q

L

A

C

D
|
D

V
|
V

R

T

R

Q

D

E

D

D

E

D

V

V

A

K

N

T

L

L

V

V

D

S

Q

E

T

T

V

I

A

R

R

R

F

F

G

G

R

R

I

L

D

D

A

C

A

V

V

V

N

N

N
|
N

A

A

G
|
G

T

H

E
x
H

G

P

Q

P

P
|
P

G

Q

A

R

I

P

T

E

S

E

Q

T

T

S

V

A

E

Q

S

G

Y

F

S

R

A

Q

T

L

F

L

D

E

T
x
L

N

N

V

L

L

L

G

G

T

T

L

Y

L

T

S

L

M

T

K

K

H

L

E

A

L

L

R

P

V

Y

M

L

S

R

A

-

Q

K

K

S

S

Q

G

G

S

N

V

V

V

I

N

N

V

I

S

S

S
|
S

T

L

Y

V

G

G

H

A

E

I

G

G

A
x
Q

A
|
A

F

Q

A

A

S

V

V

P

Y
|
Y

A

V

G

A

S

T

K
|
K

H

G

A

A

V

V

E

T

G

A

M

M

T

T

K

K

S

A

A

L

A

A

L

L

E

D

V

E

A

S

S

P

T

Y

G

G

V

V

R

R

V

V

N

N

A

C

V

I

A

S

P
|
P

G
|
G

P
x
N

T
x
I

D
x
W

T
|
T

G
x
P

M
x
L

L
x
W

D
x
E

R

E

F
x
L

T

A

G

A

-

L

T

M

P

P

E

D

N

P

K

R

A

A

A

T

L

I

A

R

A

E

K

G

V

M

-

L

-

A

-

Q

P

P

L

L

G

G

R

R

V

M

G

G

Q

Q

P

P

V

A

D

E

V

V

A

G

R

A

A

A

V

A

V

V

F

F

L

L

A

A

S

S

E

E

A

-

A

A

S

N

F

F

I

C

T

T

G

G

Q

I

I

E

L

L

T

L

V

V

D

T

G

G

G

G

K

A

T

E

A

L

G

G

active site: S138 (= S140), Y151 (= Y153), K155 (= K157)
binding 2-fluoranyl-3-[6-[1-(4-fluoranyl-3-oxidanyl-phenyl)ethenyl]pyridin-2-yl]phenol: H90 (≠ E91), P93 (= P94), S138 (= S140), Q145 (≠ A147), A146 (= A148), Y151 (= Y153), N183 (≠ P185), W189 (≠ L191), L192 (≠ F194)
binding beta-D-glucopyranose: W185 (≠ D187), T186 (= T188), P187 (≠ G189), E190 (≠ D192)
binding nicotinamide-adenine-dinucleotide: D37 (≠ G34), K38 (≠ R35), D59 (= D60), V60 (= V61), N86 (= N87), G88 (= G89), L110 (≠ T111), S138 (= S140), Y151 (= Y153), K155 (= K157), P181 (= P183), G182 (= G184), N183 (≠ P185), I184 (≠ T186), T186 (= T188), L188 (≠ M190)

Sites not aligning to the query:

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

5l7wA 17beta-hydroxysteroid dehydrogenase 14 variant t205 in complex with a non-steroidal inhibitor. (see paper)
40% identity, 92% coverage: 22:248/248 of query aligns to 25:249/254 of 5l7wA

query
sites
5l7wA

A

A

F

F

A

V

D

N

S

S

G

G

A

A

R

R

L

V

V

V

V

I

S

C

G
x
D

R
x
K

R

D

E

E

V

S

E

G

G

G

K

R

A

A

L

L

E

E

K

Q

E

E

L

L

R

-

E

-

L

-

G

-

A

P

D

G

A

A

H

V

F

F

I

I

Q

L

A

C

D
|
D

V
|
V

R

T

R

Q

D

E

D

D

E

D

V

V

A

K

N

T

L

L

V

V

D

S

Q

E

T

T

V

I

A

R

R

R

F

F

G

G

R

R

I

L

D

D

A

C

A

V

V

V

N

N

N
|
N

A
|
A

G
|
G

T

H

E
x
H

G

P

Q

P

P

P

G

Q

A

R

I

P

T

E

S

E

Q

T

T

S

V

A

E

Q

S

G

Y

F

S

R

A

Q

T

L

F

L

D

E

T
x
L

N

N

V

L

L

L

G

G

T

T

L

Y

L

T

S

L

M

T

K

K

H

L

E

A

L

L

R

P

V

Y

M

L

S

R

A

-

Q

K

K

S

S

Q

G

G

S

N

V

V

V

I

N

N

V

I

S

S

S
|
S

T

L

Y

V

G

G

H

A

E

I

G

G

A
x
Q

A
|
A

F
x
Q

A
|
A

S

V

V

P

Y
|
Y

A

V

G

A

S

T

K
|
K

H

G

A

A

V

V

E

T

G

A

M

M

T

T

K

K

S

A

A

L

A

A

L

L

E

D

V

E

A

S

S

P

T

Y

G

G

V

V

R

R

V

V

N

N

A

C

V

I

A

S

P
|
P

G
|
G

P
x
N

T
x
I

D
x
W

T
|
T

G
x
P

M
x
L

L
x
W

D
x
E

R

E

F
x
L

T

A

G

A

-

L

T

M

P

P

E

D

N

P

K

R

A

A

A

T

L

I

A

R

A

E

K

G

V

M

-

L

-

A

-

Q

P

P

L

L

G

G

R

R

V

M

G

G

Q

Q

P

P

V

A

D

E

V

V

A

G

R

A

A

A

V

A

V

V

F

F

L

L

A

A

S

S

E

E

A

-

A

A

S

N

F

F

I

C

T

T

G

G

Q

I

I

E

L

L

T

L

V

V

D

T

G

G

G

G

K

A

T

E

A

L

G

G

active site: S138 (= S140), A148 (= A150), Y151 (= Y153), K155 (= K157)
binding [4-fluoranyl-2,3-bis(oxidanyl)phenyl]-[6-(2-fluoranyl-3-oxidanyl-phenyl)pyridin-2-yl]methanone: H90 (≠ E91), S138 (= S140), Q145 (≠ A147), A146 (= A148), Q147 (≠ F149), Y151 (= Y153), N183 (≠ P185), W189 (≠ L191), L192 (≠ F194)
binding beta-D-glucopyranose: W185 (≠ D187), T186 (= T188), P187 (≠ G189), E190 (≠ D192)
binding nicotinamide-adenine-dinucleotide: D37 (≠ G34), K38 (≠ R35), D59 (= D60), V60 (= V61), N86 (= N87), A87 (= A88), G88 (= G89), L110 (≠ T111), S138 (= S140), Y151 (= Y153), K155 (= K157), P181 (= P183), G182 (= G184), N183 (≠ P185), I184 (≠ T186), T186 (= T188), L188 (≠ M190)

Sites not aligning to the query:

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

5icmA 17beta-hydroxysteroid dehydrogenase type 14 in complex with a non- steroidal inhibitor (see paper)
40% identity, 92% coverage: 22:248/248 of query aligns to 24:248/255 of 5icmA

query
sites
5icmA

A

A

F

F

A

V

D

N

S

S

G

G

A

A

R

R

L

V

V

V

V

I

S

C

G
x
D

R
x
K

R

D

E

E

V

S

E

G

G

G

K

R

A

A

L

L

E

E

K

Q

E

E

L

L

R

-

E

-

L

-

G

-

A

P

D

G

A

A

H

V

F

F

I

I

Q

L

A

C

D
|
D

V
|
V

R

T

R

Q

D

E

D

D

E

D

V

V

A

K

N

T

L

L

V

V

D

S

Q

E

T

T

V

I

A

R

R

R

F

F

G

G

R

R

I

L

D

D

A

C

A

V

V

V

N

N

N
|
N

A

A

G

G

T

H

E
x
H

G

P

Q

P

P
|
P

G

Q

A

R

I

P

T

E

S

E

Q

T

T

S

V

A

E

Q

S

G

Y

F

S

R

A

Q

T

L

F

L

D

E

T
x
L

N

N

V

L

L

L

G

G

T

T

L

Y

L

T

S

L

M

T

K

K

H

L

E

A

L

L

R

P

V

Y

M

L

S

R

A

-

Q

K

K

S

S

Q

G

G

S

N

V

V

V

I

N

N

V

I

S

S

S
|
S

T

L

Y

V

G

G

H

A

E

I

G

G

A
x
Q

A
|
A

F
x
Q

A
|
A

S

V

V

P

Y
|
Y

A

V

G

A

S

T

K
|
K

H

G

A

A

V

V

E

T

G

A

M

M

T

T

K

K

S

A

A

L

A

A

L

L

E

D

V

E

A

S

S

P

T

Y

G

G

V

V

R

R

V

V

N

N

A

C

V

I

A

S

P
|
P

G
|
G

P
x
N

T
x
I

D
x
W

T
|
T

G
x
P

M
x
L

L
x
W

D
x
E

R

E

F
x
L

T

A

G

A

-

L

T

M

P

P

E

D

N

P

K

R

A

A

A

T

L

I

A

R

A

E

K

G

V

M

-

L

-

A

-

Q

P

P

L

L

G

G

R

R

V

M

G

G

Q

Q

P

P

V

A

D

E

V

V

A

G

R

A

A

A

V

A

V

V

F

F

L

L

A

A

S

S

E

E

A

-

A

A

S

N

F

F

I

C

T

T

G

G

Q

I

I

E

L

L

T

L

V

V

D

T

G

G

G

G

K

A

T

E

A

L

G

G

active site: S137 (= S140), A147 (= A150), Y150 (= Y153), K154 (= K157)
binding [6-(3,4-dihydroxyphenyl)pyridin-2-yl](4-fluoro-3-hydroxyphenyl)methanone: H89 (≠ E91), P92 (= P94), S137 (= S140), Q144 (≠ A147), A145 (= A148), Q146 (≠ F149), Y150 (= Y153), N182 (≠ P185), W188 (≠ L191), L191 (≠ F194)
binding alpha-D-glucopyranose: W184 (≠ D187), T185 (= T188), P186 (≠ G189), E189 (≠ D192)
binding nicotinamide-adenine-dinucleotide: D36 (≠ G34), K37 (≠ R35), D58 (= D60), V59 (= V61), N85 (= N87), L109 (≠ T111), S137 (= S140), Y150 (= Y153), K154 (= K157), P180 (= P183), G181 (= G184), N182 (≠ P185), I183 (≠ T186), T185 (= T188), L187 (≠ M190)

Sites not aligning to the query:

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

5l7yA 17beta-hydroxysteroid dehydrogenase 14 variant t205 in complex with a non-steroidal inhibitor. (see paper)
40% identity, 92% coverage: 22:248/248 of query aligns to 25:249/256 of 5l7yA

query
sites
5l7yA

A

A

F

F

A

V

D

N

S

S

G

G

A

A

R

R

L

V

V

V

V

I

S

C

G
x
D

R
x
K

R

D

E

E

V

S

E
x
G

G

G

K

R

A
|
A

L

L

E

E

K

Q

E

E

L

L

R

-

E

-

L

-

G

-

A

P

D

G

A

A

H

V

F

F

I

I

Q

L

A

C

D
|
D

V
|
V

R

T

R

Q

D

E

D

D

E

D

V

V

A

K

N

T

L

L

V

V

D

S

Q

E

T

T

V

I

A

R

R

R

F

F

G

G

R

R

I

L

D

D

A

C

A

V

V

V

N

N

N
|
N

A

A

G

G

T

H

E
x
H

G

P

Q

P

P

P

G

Q

A

R

I

P

T

E

S

E

Q

T

T

S

V

A

E

Q

S

G

Y

F

S

R

A

Q

T

L

F

L

D

E

T
x
L

N

N

V

L

L

L

G

G

T

T

L

Y

L

T

S

L

M

T

K

K

H

L

E

A

L

L

R

P

V

Y

M

L

S

R

A

-

Q

K

K

S

S

Q

G

G

S

N

V

V

V

I

N

N

V
x
I

S

S

S
|
S

T

L

Y

V

G

G

H

A

E

I

G

G

A
x
Q

A
|
A

F

Q

A
|
A

S

V

V

P

Y
|
Y

A

V

G

A

S

T

K
|
K

H

G

A

A

V

V

E

T

G

A

M

M

T

T

K

K

S

A

A

L

A

A

L

L

E

D

V

E

A

S

S

P

T

Y

G

G

V

V

R

R

V

V

N

N

A

C

V

I

A

S

P
|
P

G
|
G

P
x
N

T
x
I

D

W

T
|
T

G

P

M
x
L

L
x
W

D

E

R

E

F
x
L

T

A

G

A

-

L

T

M

P

P

E

D

N

P

K

R

A

A

A

T

L

I

A

R

A

E

K

G

V

M

-

L

-

A

-

Q

P

P

L

L

G

G

R

R

V

M

G

G

Q

Q

P

P

V

A

D

E

V

V

A

G

R

A

A

A

V

A

V

V

F

F

L

L

A

A

S

S

E

E

A

-

A

A

S

N

F

F

I

C

T

T

G

G

Q

I

I

E

L

L

T

L

V

V

D

T

G

G

G

G

K

A

T

E

A

L

G

G

active site: S138 (= S140), A148 (= A150), Y151 (= Y153), K155 (= K157)
binding (4-fluoranyl-3-oxidanyl-phenyl)-[6-(2-fluoranyl-3-oxidanyl-phenyl)pyridin-2-yl]methanone: G42 (≠ E39), A45 (= A42), H90 (≠ E91), S138 (= S140), Q145 (≠ A147), A146 (= A148), Y151 (= Y153), N183 (≠ P185), W189 (≠ L191), L192 (≠ F194)
binding nicotinamide-adenine-dinucleotide: D37 (≠ G34), K38 (≠ R35), D59 (= D60), V60 (= V61), N86 (= N87), L110 (≠ T111), I136 (≠ V138), Y151 (= Y153), K155 (= K157), P181 (= P183), G182 (= G184), I184 (≠ T186), T186 (= T188), L188 (≠ M190)

Sites not aligning to the query:

5l7tA 17beta-hydroxysteroid dehydrogenase 14 variant t205 in complex with a non-steroidal inhibitor. (see paper)
40% identity, 92% coverage: 22:248/248 of query aligns to 25:249/256 of 5l7tA

query
sites
5l7tA

A

A

F

F

A

V

D

N

S

S

G

G

A

A

R

R

L

V

V

V

V

I

S

C

G
x
D

R
x
K

R

D

E

E

V

S

E

G

G

G

K

R

A

A

L

L

E

E

K

Q

E

E

L

L

R

-

E

-

L

-

G

-

A

P

D

G

A

A

H

V

F

F

I

I

Q

L

A

C

D
|
D

V
|
V

R

T

R

Q

D

E

D

D

E

D

V

V

A

K

N

T

L

L

V

V

D

S

Q

E

T

T

V

I

A

R

R

R

F

F

G

G

R

R

I

L

D

D

A

C

A

V

V

V

N

N

N
|
N

A
|
A

G
|
G

T

H

E
x
H

G

P

Q

P

P

P

G

Q

A

R

I

P

T

E

S

E

Q

T

T

S

V

A

E

Q

S

G

Y

F

S

R

A

Q

T

L

F

L

D

E

T
x
L

N

N

V

L

L

L

G

G

T

T

L

Y

L

T

S

L

M

T

K

K

H

L

E

A

L

L

R

P

V

Y

M

L

S

R

A

-

Q

K

K

S

S

Q

G

G

S

N

V

V

V

I

N

N

V

I

S

S

S
|
S

T

L

Y

V

G

G

H

A

E

I

G

G

A
x
Q

A
|
A

F

Q

A
|
A

S

V

V

P

Y
|
Y

A

V

G

A

S

T

K
|
K

H

G

A

A

V

V

E

T

G

A

M

M

T

T

K

K

S

A

A

L

A

A

L

L

E

D

V

E

A

S

S

P

T

Y

G

G

V

V

R

R

V

V

N

N

A

C

V

I

A

S

P
|
P

G
|
G

P
x
N

T
x
I

D

W

T
|
T

G

P

M
x
L

L
x
W

D

E

R

E

F
x
L

T

A

G

A

-

L

T

M

P

P

E

D

N

P

K

R

A

A

A

T

L

I

A

R

A

E

K

G

V

M

-

L

-

A

-

Q

P

P

L

L

G

G

R

R

V

M

G

G

Q

Q

P

P

V

A

D

E

V

V

A

G

R

A

A

A

V

A

V

V

F

F

L

L

A

A

S

S

E

E

A

-

A

A

S

N

F

F

I

C

T

T

G

G

Q

I

I

E

L

L

T

L

V

V

D

T

G

G

G

G

K

A

T

E

A

L

G

G

active site: S138 (= S140), A148 (= A150), Y151 (= Y153), K155 (= K157)
binding (4-fluoranyl-3-oxidanyl-phenyl)-[6-(3-methyl-4-oxidanyl-phenyl)pyridin-2-yl]methanone: H90 (≠ E91), S138 (= S140), Q145 (≠ A147), A146 (= A148), Y151 (= Y153), N183 (≠ P185), W189 (≠ L191), L192 (≠ F194)
binding nicotinamide-adenine-dinucleotide: D37 (≠ G34), K38 (≠ R35), D59 (= D60), V60 (= V61), N86 (= N87), A87 (= A88), G88 (= G89), L110 (≠ T111), S138 (= S140), Y151 (= Y153), K155 (= K157), P181 (= P183), G182 (= G184), N183 (≠ P185), I184 (≠ T186), T186 (= T188), L188 (≠ M190)

Sites not aligning to the query:

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

Query Sequence

>BPHYT_RS26470 FitnessBrowser__BFirm:BPHYT_RS26470
MSQPVVLITGALTGIGRATAFAFADSGARLVVSGRREVEGKALEKELRELGADAHFIQAD
VRRDDEVANLVDQTVARFGRIDAAVNNAGTEGQPGAITSQTVESYSATFDTNVLGTLLSM
KHELRVMSAQKSGSVVNVSSTYGHEGAAFASVYAGSKHAVEGMTKSAALEVASTGVRVNA
VAPGPTDTGMLDRFTGTPENKAALAAKVPLGRVGQPVDVARAVVFLASEAASFITGQILT
VDGGKTAG

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