SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing 6936200 FitnessBrowser__SB2B:6936200 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)

A0A140FAN3 11-beta-hydroxysteroid dehydrogenase; 17-beta-hydroxysteroid dehydrogenase; Steroleosin; EC 1.1.1.146; EC 1.1.1.62 from Pinus massoniana (Chinese red pine) (see paper)
34% identity, 94% coverage: 7:259/270 of query aligns to 48:303/356 of A0A140FAN3

query
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A0A140FAN3

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Sites not aligning to the query:

206:356 mutation Missing: Loss of binding to plant derived cholesterol, cholest-5-en-3beta-ol.

3gmdA Structure-based design of 7-azaindole-pyrrolidines as inhibitors of 11beta-hydroxysteroid-dehydrogenase type i (see paper)
38% identity, 67% coverage: 4:185/270 of query aligns to 7:185/264 of 3gmdA

query
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3gmdA

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active site: S145 (= S145), Y158 (= Y158), K162 (= K162)
binding 2-methyl-3-{(3S)-1-[(1-pyridin-2-ylcyclopropyl)carbonyl]pyrrolidin-3-yl}-1H-pyrrolo[2,3-b]pyridine: T99 (= T97), S145 (= S145), Y152 (≠ V152), Y158 (= Y158)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G16 (= G13), K19 (≠ E16), G20 (= G17), I21 (= I18), R41 (= R38), S42 (= S39), T67 (≠ S64), M68 (vs. gap), N94 (= N92), H95 (≠ N93), I96 (≠ A94), V117 (= V117), I143 (= I143), S145 (= S145), Y158 (= Y158), K162 (= K162)

Sites not aligning to the query:

4nmhA 11-beta-hsd1 in complex with a 3,3-di-methyl-azetidin-2-one
38% identity, 67% coverage: 4:185/270 of query aligns to 8:186/265 of 4nmhA

query
sites
4nmhA

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active site: S101 (≠ M98), H106 (≠ D103), Q136 (≠ H135), S146 (= S145), Y159 (= Y158), K163 (= K162)
binding (4S)-4-(2-methoxyphenyl)-3,3-dimethyl-1-[3-(methylsulfonyl)phenyl]azetidin-2-one: I97 (≠ A94), S146 (= S145), Y153 (≠ V152), Y159 (= Y158)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G17 (= G13), S19 (= S15), K20 (≠ E16), I22 (= I18), A41 (= A37), R42 (= R38), S43 (= S39), M69 (vs. gap), N95 (= N92), I97 (≠ A94), I144 (= I143), S146 (= S145), Y159 (= Y158), K163 (= K162)

Sites not aligning to the query:

5qijA Crystal structure of murine 11b- hydroxysteroiddehydrogenase complexed with 2-(3-(1-(4- chlorophenyl)cyclopropyl)-[1,2,4]triazolo[4,3- a]pyridin-8- yl)propan-2-ol (see paper)
38% identity, 67% coverage: 4:185/270 of query aligns to 8:186/265 of 5qijA

query
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5qijA

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active site: S146 (= S145), Y159 (= Y158), K163 (= K162)
binding 2-{3-[1-(4-chlorophenyl)cyclopropyl][1,2,4]triazolo[4,3-a]pyridin-8-yl}propan-2-ol: T100 (= T97), S101 (≠ M98), L102 (≠ W99), L147 (≠ V146), L147 (≠ V146), A148 (= A147), Q153 (≠ V152), Q153 (≠ V152), I156 (≠ R155), Y159 (= Y158)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G17 (= G13), S19 (= S15), G21 (= G17), I22 (= I18), R42 (= R38), S43 (= S39), T68 (≠ S64), M69 (vs. gap), N95 (= N92), H96 (≠ N93), I97 (≠ A94), I144 (= I143), S146 (= S145), Y159 (= Y158), K163 (= K162)

Sites not aligning to the query:

5pgzA Crystal structure of murine 11beta- hydroxysteroiddehydrogenase complexed with 2-[(5r,7s)-6-hydroxy-2-phenyladamantan-2-yl]-1-(3- hydroxyazetidin-1-yl)ethan-1-one (bms-816336) (see paper)
38% identity, 67% coverage: 4:185/270 of query aligns to 8:186/265 of 5pgzA

query
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5pgzA

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active site: S146 (= S145), Y159 (= Y158), K163 (= K162)
binding 2-[(5r,7s)-6-hydroxy-2-phenyladamantan-2-yl]-1-(3-hydroxyazetidin-1-yl)ethan-1-one: S146 (= S145), L147 (≠ V146), Q153 (≠ V152), I156 (≠ R155), Y159 (= Y158)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G17 (= G13), S19 (= S15), K20 (≠ E16), G21 (= G17), I22 (= I18), R42 (= R38), S43 (= S39), T68 (≠ S64), M69 (vs. gap), N95 (= N92), I97 (≠ A94), I144 (= I143), S146 (= S145), Y159 (= Y158), K163 (= K162)

Sites not aligning to the query:

4k26A 4,4-dioxo-5,6-dihydro-[1,4,3]oxathiazines, a novel class of 11 -hsd1 inhibitors for the treatment of diabetes (see paper)
38% identity, 67% coverage: 4:185/270 of query aligns to 8:186/265 of 4k26A

query
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4k26A

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K

K

V

K

V

V

I

I

L

V

T

T

G
|
G

A

A

S
|
S

E
x
K

G
|
G

I
|
I

G

G

R

R

A

E

L

M

A

A

R

Y

E

H

L

L

A

S

R

K

L

M

G

G

C

A

H

H

L

V

V

V

L

L

T

T

A
|
A

R
|
R

S
|
S

E

E

T

E

R

G

L

L

Q

Q

S

K

L

V

A

V

L

S

E

R

L

C

A

L

Q

E

E

L

Q

G

G

A

A

A

Q

S

A

A

D

H

V

Y

L

I

V

A

H

G

S
x
T

-
x
M

A

E

D

D

L

M

T

T

H

F

P

-

H

-

E

-

C

A

R

E

E

Q

L

F

I

I

D

V

A

K

C

A

I

G

A

K

R

L

F

M

G

G

R

G

L

L

D

D

I

M

L

L

I

I

-

L

N
|
N

N

H

A
x
I

G

T

M

Q

T

T

M

S

W

L

S

S

R

L

F

F

D

H

E

D

L

-

E

-

D

D

L

I

A

H

I

S

L

V

E

R

Q

R

I

V

M

M

A

E

V

V

N

N

Y

F

L

L

A

S

P

Y

A

V

R

V

L

M

T

S

H

T

M

A

A

A

L

L

P

P

H

M

L

L

K

K

H

Q

S

S

Q

N

G

G

Q

S

V

I

V

A

A

V

I
|
I

A

S

S
|
S

V
x
L

A
|
A

G

G

L

K

T

M

G

T

V
x
Q

P

P

T

M

R
x
I

S

A

G

P

Y
|
Y

A

S

A

A

S

S

K
|
K

H

F

A

A

M

L

M

D

G

G

F

F

D

S

S

T

L

I

R

R

I

T

E

E

L

L

A

Y

D

I

D

T

K

K

V

V

A

N

V

V

T

S

V

I

active site: S146 (= S145), Y159 (= Y158), K163 (= K162)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G17 (= G13), S19 (= S15), K20 (≠ E16), G21 (= G17), I22 (= I18), A41 (= A37), R42 (= R38), S43 (= S39), T68 (≠ S64), M69 (vs. gap), N95 (= N92), I97 (≠ A94), I144 (= I143), S146 (= S145), Y159 (= Y158), K163 (= K162)
binding (4aS,8aR)-N-cyclohexyl-4a,5,6,7,8,8a-hexahydro-4,1,2-benzoxathiazin-3-amine 1,1-dioxide: I97 (≠ A94), S146 (= S145), L147 (≠ V146), A148 (= A147), Q153 (≠ V152), I156 (≠ R155), Y159 (= Y158)

Sites not aligning to the query:

1y5rA The crystal structure of murine 11b-hydroxysteroid dehydrogenase complexed with corticosterone (see paper)
38% identity, 67% coverage: 4:185/270 of query aligns to 8:186/265 of 1y5rA

query
sites
1y5rA

L

L

M

Q

D

G

K

K

V

K

V

V

I

I

L

V

T

T

G
|
G

A

A

S
|
S

E
x
K

G
|
G

I
|
I

G

G

R

R

A

E

L

M

A

A

R

Y

E

H

L

L

A

S

R

K

L

M

G

G

C

A

H

H

L

V

V

V

L

L

T

T

A

A

R
|
R

S
|
S

E

E

T

E

R

G

L

L

Q

Q

S

K

L

V

A

V

L

S

E

R

L

C

A

L

Q

E

E

L

Q

G

G

A

A

A

Q

S

A

A

D

H

V

Y

L

I

V

A

H

G

S
x
T

-
x
M

A

E

D

D

L

M

T

T

H

F

P

-

H

-

E

-

C

A

R

E

E

Q

L

F

I

I

D

V

A

K

C

A

I

G

A

K

R

L

F

M

G

G

R

G

L

L

D

D

I

M

L

L

I

I

-

L

N
|
N

N

H

A
x
I

G

T

M

Q

T

T

M

S

W

L

S

S

R

L

F

F

D

H

E

D

L

-

E

-

D

D

L

I

A

H

I

S

L

V

E

R

Q

R

I

V

M

M

A

E

V

V

N

N

Y

F

L

L

A

S

P

Y

A

V

R

V

L

M

T

S

H

T

M

A

A

A

L

L

P

P

H

M

L

L

K

K

H

Q

S

S

Q

N

G

G

Q

S

V

I

V

A

A

V

I
|
I

A

S

S
|
S

V

L

A

A

G

G

L

K

T

M

G

T

V
x
Q

P

P

T

M

R

I

S

A

G

P

Y
|
Y

A

S

A

A

S

S

K
|
K

H

F

A

A

M

L

M

D

G

G

F

F

D

S

S

T

L

I

R

R

I

T

E

E

L

L

A

Y

D

I

D

T

K

K

V

V

A

N

V

V

T

S

V

I

active site: S146 (= S145), Y159 (= Y158), K163 (= K162)
binding corticosterone: I97 (≠ A94), S146 (= S145), Q153 (≠ V152), Y159 (= Y158)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G17 (= G13), S19 (= S15), K20 (≠ E16), G21 (= G17), I22 (= I18), R42 (= R38), S43 (= S39), T68 (≠ S64), M69 (vs. gap), N95 (= N92), I97 (≠ A94), I144 (= I143), S146 (= S145), Y159 (= Y158), K163 (= K162)

Sites not aligning to the query:

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: 191, 192, 193, 194, 196, 198, 199

3h6kA Crystal structure of human 11-beta-hydroxysteroid-dehydrogenase bound to an ortho-chlro-sulfonyl-piperazine inhibitor (see paper)
37% identity, 67% coverage: 4:185/270 of query aligns to 7:185/260 of 3h6kA

query
sites
3h6kA

L

L

M

Q

D

G

K

K

V

K

V

V

I

I

L

V

T

T

G
|
G

A

A

S
|
S

E
x
K

G
|
G

I
|
I

G

G

R

R

A

E

L

M

A

A

R

Y

E

H

L

L

A

A

R

K

L

M

G

G

C

A

H

H

L

V

V

V

L

V

T

T

A
|
A

R
|
R

S
|
S

E

K

T

E

R

T

L

L

Q

Q

S

K

L

V

A

V

L

S

E

H

L

C

A

L

Q

E

E

L

Q

G

G

A

A

A

Q

S

A

A

D

H

V

Y

L

I

V

A

H

G

S
x
T

-
x
M

A

E

D

D

L

M

T

T

H

F

P

-

H

-

E

-

C

A

R

E

E

Q

L

F

I

V

D

A

A

Q

C

A

I

G

A

K

R

L

F

M

G

G

R

G

L

L

D

D

I

M

L

L

I

I

-

L

N
|
N

N

H

A
x
I

G

T

M

N

T
|
T

M

S

W

L

S

N

R

L

F

F

D

H

E

D

L

-

E

-

D

D

L

I

A

H

I

H

L

V

E

R

Q

K

I

S

M

M

A

E

V

V

N

N

Y

F

L

L

A

S

P

Y

A

V

R

V

L

L

T

T

H

V

M

A

A

A

L

L

P

P

H

M

L

L

K

K

H

Q

S

S

Q

N

G

G

Q

S

V

I

V

V

A

V

I
x
V

A

S

S
|
S

V

L

A
|
A

G

G

L

K

T

V

G

A

V
x
Y

P

P

T

M

R

V

S

A

G

A

Y
|
Y

A

S

A

A

S

S

K
|
K

H

F

A

A

M

L

M

D

G

G

F

F

D

S

S

S

L

I

R

R

I

K

E

E

L

Y

A

S

D

V

D

S

K

R

V

V

A

N

V

V

T

S

V

I

active site: S145 (= S145), Y158 (= Y158), K162 (= K162)
binding 3-chloro-4-({(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpiperazin-1-yl}sulfonyl)benzamide: I96 (≠ A94), T99 (= T97), A147 (= A147), Y152 (≠ V152), Y158 (= Y158)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G16 (= G13), S18 (= S15), K19 (≠ E16), G20 (= G17), I21 (= I18), A40 (= A37), R41 (= R38), S42 (= S39), T67 (≠ S64), M68 (vs. gap), N94 (= N92), I96 (≠ A94), V143 (≠ I143), S145 (= S145), Y158 (= Y158), K162 (= K162)

Sites not aligning to the query:

3oq1A Crystal structure of 11beta-hydroxysteroid dehydrogenase-1 (11b-hsd1) in complex with diarylsulfone inhibitor (see paper)
37% identity, 67% coverage: 4:185/270 of query aligns to 12:190/261 of 3oq1A

query
sites
3oq1A

L

L

M

Q

D

G

K

K

V

K

V

V

I

I

L

V

T

T

G
|
G

A

A

S
|
S

E
x
K

G

G

I
|
I

G

G

R

R

A

E

L

M

A

A

R

Y

E

H

L

L

A

A

R

K

L

M

G

G

C

A

H

H

L

V

V

V

L

V

T

T

A
|
A

R
|
R

S
|
S

E

K

T

E

R

T

L

L

Q

Q

S

K

L

V

A

V

L

S

E

H

L

C

A

L

Q

E

E

L

Q

G

G

A

A

A

Q

S

A

A

D

H

V

Y

L

I

V

A

H

G

S

T

-
x
M

A

E

D

D

L

M

T

T

H

F

P

-

H

-

E

-

C

A

R

E

E

Q

L

F

I

V

D

A

A

Q

C

A

I

G

A

K

R

L

F

M

G

G

R

G

L

L

D

D

I

M

L

L

I

I

-

L

N
|
N

N

H

A
x
I

G

T

M

N

T

T

M

S

W

L

S

N

R

L

F

F

D

H

E

D

L

-

E

-

D

D

L

I

A

H

I

H

L

V

E

R

Q

K

I

S

M

M

A

E

V

V

N

N

Y

F

L

L

A

S

P

Y

A

V

R

V

L

L

T

T

H

V

M

A

A

A

L

L

P

P

H

M

L

L

K

K

H

Q

S

S

Q

N

G

G

Q

S

V

I

V

V

A

V

I
x
V

A

S

S
|
S

V
x
L

A
|
A

G

G

L

K

T

V

G

A

V

Y

P

P

T

M

R

V

S

A

G

A

Y
|
Y

A

S

A

A

S

S

K
|
K

H

F

A

A

M

L

M

D

G

G

F

F

D

S

S

S

L

I

R

R

I

K

E

E

L

Y

A

S

D

V

D

S

K

R

V

V

A

N

V

V

T

S

V

I

active site: S150 (= S145), Y163 (= Y158), K167 (= K162)
binding 3-(2-fluoroethyl)-4-({4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl}sulfonyl)benzonitrile: L151 (≠ V146), A152 (= A147), Y163 (= Y158)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G21 (= G13), S23 (= S15), K24 (≠ E16), I26 (= I18), A45 (= A37), R46 (= R38), S47 (= S39), M73 (vs. gap), N99 (= N92), I101 (≠ A94), V148 (≠ I143), S150 (= S145), Y163 (= Y158), K167 (= K162)

Sites not aligning to the query:

4hx5A Crystal structure of 11 beta-hsd1 in complex with sar184841 (see paper)
37% identity, 67% coverage: 4:185/270 of query aligns to 8:186/261 of 4hx5A

query
sites
4hx5A

L

L

M

Q

D

G

K

K

V

K

V

V

I

I

L

V

T

T

G
|
G

A

A

S
|
S

E

K

G
|
G

I
|
I

G

G

R

R

A

E

L

M

A

A

R

Y

E

H

L

L

A

A

R

K

L

M

G

G

C

A

H

H

L

V

V

V

L

V

T

T

A
|
A

R
|
R

S
|
S

E

K

T

E

R

T

L

L

Q

Q

S

K

L

V

A

V

L

S

E

H

L

C

A

L

Q

E

E

L

Q

G

G

A

A

A

Q

S

A

A

D

H

V

Y

L

I

V

A

H

G

S
x
T

-
x
M

A

E

D

D

L

M

T

T

H

F

P

-

H

-

E

-

C

A

R

E

E

Q

L

F

I

V

D

A

A

Q

C

A

I

G

A

K

R

L

F

M

G

G

R

G

L

L

D

D

I

M

L

L

I

I

-

L

N
|
N

N

H

A
x
I

G

T

M

N

T

T

M

S

W

L

S

N

R

L

F

F

D

H

E

D

L

-

E

-

D

D

L

I

A

H

I

H

L

V

E

R

Q

K

I

S

M

M

A

E

V

V

N

N

Y

F

L

L

A

S

P

Y

A

V

R

V

L

L

T

T

H

V

M

A

A

A

L

L

P

P

H

M

L

L

K

K

H

Q

S

S

Q

N

G

G

Q

S

V

I

V

V

A

V

I
x
V

A

S

S
|
S

V
x
L

A

A

G

G

L

K

T

V

G

A

V
x
Y

P

P

T

M

R

V

S

A

G

A

Y
|
Y

A

S

A

A

S

S

K
|
K

H

F

A

A

M

L

M

D

G

G

F

F

D

S

S

S

L

I

R

R

I

K

E

E

L

Y

A

S

D

V

D

S

K

R

V

V

A

N

V

V

T

S

V

I

active site: S146 (= S145), Y159 (= Y158), K163 (= K162)
binding 4-[5-(4-tert-butylpiperazin-1-yl)pyridin-2-yl]-N-[(1R,2S,3S,5S,7s)-5-carbamoyltricyclo[3.3.1.1~3,7~]dec-2-yl]-3,4-dihydroquinoxaline-1(2H)-carboxamide: I97 (≠ A94), S146 (= S145), L147 (≠ V146), Y153 (≠ V152), Y159 (= Y158)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G17 (= G13), S19 (= S15), G21 (= G17), I22 (= I18), A41 (= A37), R42 (= R38), S43 (= S39), T68 (≠ S64), M69 (vs. gap), N95 (= N92), I97 (≠ A94), V144 (≠ I143), S146 (= S145), Y159 (= Y158), K163 (= K162)

Sites not aligning to the query:

4k1lA 4,4-dioxo-5,6-dihydro-[1,4,3]oxathiazines, a novel class of 11 beta- hsd1 inhibitors for the treatment of diabetes (see paper)
37% identity, 67% coverage: 4:185/270 of query aligns to 12:190/263 of 4k1lA

query
sites
4k1lA

L

L

M

Q

D

G

K

K

V

K

V

V

I

I

L

V

T

T

G
|
G

A

A

S
|
S

E
x
K

G
|
G

I
|
I

G

G

R

R

A

E

L

M

A

A

R

Y

E

H

L

L

A

A

R

K

L

M

G

G

C

A

H

H

L

V

V

V

L

V

T

T

A

A

R
|
R

S
|
S

E

K

T

E

R

T

L

L

Q

Q

S

K

L

V

A

V

L

S

E

H

L

C

A

L

Q

E

E

L

Q

G

G

A

A

A

Q

S

A

A

D

H

V

Y

L

I

V

A

H

G

S
x
T

-
x
M

A

E

D

D

L

M

T

T

H

F

P

-

H

-

E

-

C

A

R

E

E

Q

L

F

I

V

D

A

A

Q

C

A

I

G

A

K

R

L

F

M

G

G

R

G

L

L

D

D

I

M

L

L

I

I

-

L

N
|
N

N
x
H

A
x
I

G

T

M

N

T
|
T

M

S

W

L

S

N

R

L

F

F

D

H

E

D

L

-

E

-

D

D

L

I

A

H

I

H

L

V

E

R

Q

K

I

S

M

M

A

E

V

V

N

N

Y

F

L

L

A

S

P

Y

A

V

R

V

L

L

T

T

H

V

M

A

A

A

L

L

P

P

H

M

L

L

K

K

H

Q

S

S

Q

N

G

G

Q

S

V

I

V

V

A

V

I
x
V

A

S

S
|
S

V
x
L

A
|
A

G

G

L

K

T

V

G

A

V
x
Y

P

P

T

M

R

V

S

A

G

A

Y
|
Y

A

S

A

A

S

S

K
|
K

H

F

A

A

M

L

M

D

G

G

F

F

D

S

S

S

L

I

R

R

I

K

E

E

L

Y

A

S

D

V

D

S

K

R

V

V

A

N

V

V

T

S

V

I

active site: S150 (= S145), Y163 (= Y158), K167 (= K162)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G21 (= G13), S23 (= S15), K24 (≠ E16), G25 (= G17), I26 (= I18), R46 (= R38), S47 (= S39), T72 (≠ S64), M73 (vs. gap), N99 (= N92), H100 (≠ N93), I101 (≠ A94), V148 (≠ I143), S150 (= S145), Y163 (= Y158), K167 (= K162)
binding (4aS,8aR)-N-cyclohexyl-4a,5,6,7,8,8a-hexahydro-4,1,2-benzoxathiazin-3-amine 1,1-dioxide: I101 (≠ A94), T104 (= T97), L151 (≠ V146), A152 (= A147), Y157 (≠ V152), Y163 (= Y158)

Sites not aligning to the query:

3d3eA Crystal structure of human 11-beta-hydroxysteroid dehydrogenase (hsd1) in complex with benzamide inhibitor (see paper)
37% identity, 67% coverage: 4:185/270 of query aligns to 12:190/262 of 3d3eA

query
sites
3d3eA

L

L

M

Q

D

G

K

K

V

K

V

V

I

I

L

V

T

T

G
|
G

A

A

S
|
S

E
x
K

G
|
G

I
|
I

G

G

R

R

A

E

L

M

A

A

R

Y

E

H

L

L

A

A

R

K

L

M

G

G

C

A

H

H

L

V

V

V

L

V

T

T

A

A

R
|
R

S
|
S

E

K

T

E

R

T

L

L

Q

Q

S

K

L

V

A

V

L

S

E

H

L

C

A

L

Q

E

E

L

Q

G

G

A

A

A

Q

S

A

A

D

H

V

Y

L

I

V

A

H

G

S

T

-
x
M

A

E

D

D

L

M

T

T

H

F

P

-

H

-

E

-

C

A

R

E

E

Q

L

F

I

V

D

A

A

Q

C

A

I

G

A

K

R

L

F

M

G

G

R

G

L

L

D

D

I

M

L

L

I

I

-

L

N
|
N

N

H

A
x
I

G

T

M

N

T
|
T

M

S

W
x
L

S

N

R

L

F

F

D

H

E

D

L

-

E

-

D

D

L

I

A

H

I

H

L

V

E

R

Q

K

I

S

M

M

A

E

V

V

N

N

Y

F

L

L

A

S

P

Y

A

V

R

V

L

L

T

T

H

V

M

A

A

A

L

L

P

P

H

M

L

L

K

K

H

Q

S

S

Q

N

G

G

Q

S

V

I

V

V

A

V

I
x
V

A

S

S
|
S

V
x
L

A

A

G

G

L

K

T

V

G

A

V
x
Y

P

P

T
x
M

R

V

S

A

G

A

Y
|
Y

A

S

A

A

S

S

K
|
K

H

F

A

A

M

L

M

D

G

G

F

F

D

S

S

S

L

I

R

R

I

K

E

E

L

Y

A

S

D

V

D

S

K

R

V

V

A

N

V

V

T

S

V

I

active site: S150 (= S145), Y163 (= Y158), K167 (= K162)
binding N-cyclopropyl-N-(trans-4-pyridin-3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide: T104 (= T97), L106 (≠ W99), S150 (= S145), L151 (≠ V146), Y157 (≠ V152), M159 (≠ T154), Y163 (= Y158)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G21 (= G13), S23 (= S15), K24 (≠ E16), G25 (= G17), I26 (= I18), R46 (= R38), S47 (= S39), M73 (vs. gap), N99 (= N92), I101 (≠ A94), V148 (≠ I143), S150 (= S145), Y163 (= Y158), K167 (= K162)

Sites not aligning to the query:

3ch6A Crystal structure of 11beta-hsd1 double mutant (l262r, f278e) complexed with (3,3-dimethylpiperidin-1-yl)(6-(3-fluoro-4- methylphenyl)pyridin-2-yl)methanone (see paper)
37% identity, 67% coverage: 4:185/270 of query aligns to 7:185/264 of 3ch6A

query
sites
3ch6A

L

L

M

Q

D

G

K

K

V

K

V

V

I

I

L

V

T

T

G
|
G

A

A

S
|
S

E
x
K

G
|
G

I
|
I

G

G

R

R

A

E

L

M

A

A

R

Y

E

H

L

L

A

A

R

K

L

M

G

G

C

A

H

H

L

V

V

V

L

V

T

T

A

A

R
|
R

S
|
S

E

K

T

E

R

T

L

L

Q

Q

S

K

L

V

A

V

L

S

E

H

L

C

A

L

Q

E

E

L

Q

G

G

A

A

A

Q

S

A

A

D

H

V

Y

L

I

V

A

H

G

S
x
T

-
x
M

A

E

D

D

L

M

T

T

H

F

P

-

H

-

E

-

C

A

R

E

E

Q

L

F

I

V

D

A

A

Q

C

A

I

G

A

K

R

L

F

M

G

G

R

G

L

L

D

D

I

M

L

L

I

I

-

L

N
|
N

N

H

A
x
I

G

T

M

N

T

T

M

S

W

L

S

N

R

L

F

F

D

H

E

D

L

-

E

-

D

D

L

I

A

H

I

H

L

V

E

R

Q

K

I

S

M

M

A

E

V

V

N

N

Y

F

L

L

A

S

P

Y

A

V

R

V

L

L

T

T

H

V

M

A

A

A

L

L

P

P

H

M

L

L

K

K

H

Q

S

S

Q

N

G

G

Q

S

V

I

V

V

A

V

I
x
V

A

S

S
|
S

V

L

A

A

G

G

L

K

T

V

G

A

V
x
Y

P
|
P

T

M

R

V

S

A

G

A

Y
|
Y

A

S

A

A

S

S

K
|
K

H

F

A

A

M

L

M

D

G

G

F

F

D

S

S

S

L

I

R

R

I

K

E

E

L

Y

A

S

D

V

D

S

K

R

V

V

A

N

V

V

T

S

V

I

active site: S145 (= S145), Y158 (= Y158), K162 (= K162)
binding (3,3-dimethylpiperidin-1-yl)(6-(3-fluoro-4-methylphenyl)pyridin-2-yl)methanone: S145 (= S145), Y152 (≠ V152), P153 (= P153), Y158 (= Y158)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G16 (= G13), S18 (= S15), K19 (≠ E16), G20 (= G17), I21 (= I18), R41 (= R38), S42 (= S39), T67 (≠ S64), M68 (vs. gap), N94 (= N92), I96 (≠ A94), V143 (≠ I143), S145 (= S145), Y158 (= Y158), K162 (= K162)

Sites not aligning to the query:

5pgwA Crystal structure of 11beta-hsd1 double mutant (l262r, f278e) complexed with 2-[(1r,3s,5r,7s)-2-[4-(4-fluorophenyl)phenyl]-6- hydroxyadamantan-2-yl]-1-(3- hydroxyazetidin-1-yl)ethan-1-one (see paper)
37% identity, 67% coverage: 4:185/270 of query aligns to 7:185/259 of 5pgwA

query
sites
5pgwA

L

L

M

Q

D

G

K

K

V

K

V

V

I

I

L

V

T

T

G
|
G

A

A

S
|
S

E
x
K

G
|
G

I
|
I

G

G

R

R

A

E

L

M

A

A

R

Y

E

H

L

L

A

A

R

K

L

M

G

G

C

A

H

H

L

V

V

V

L

V

T

T

A
|
A

R
|
R

S
|
S

E

K

T

E

R

T

L

L

Q

Q

S

K

L

V

A

V

L

S

E

H

L

C

A

L

Q

E

E

L

Q

G

G

A

A

A

Q

S

A

A

D

H

V

Y

L

I

V

A

H

G

S
x
T

-
x
M

A

E

D

D

L

M

T

T

H

F

P

-

H

-

E

-

C

A

R

E

E

Q

L

F

I

V

D

A

A

Q

C

A

I

G

A

K

R

L

F

M

G

G

R

G

L

L

D

D

I

M

L

L

I

I

-

L

N
|
N

N

H

A
x
I

G

T

M

N

T
|
T

M

S

W
x
L

S

N

R

L

F

F

D

H

E

D

L

-

E

-

D

D

L

I

A

H

I

H

L

V

E

R

Q

K

I

S

M

M

A

E

V

V

N

N

Y

F

L

L

A

S

P

Y

A

V

R

V

L

L

T

T

H

V

M

A

A

A

L

L

P

P

H

M

L

L

K

K

H

Q

S

S

Q

N

G

G

Q

S

V

I

V

V

A

V

I
x
V

A

S

S
|
S

V

L

A

A

G

G

L

K

T

V

G

A

V
x
Y

P
|
P

T

M

R
x
V

S

A

G

A

Y
|
Y

A

S

A

A

S

S

K
|
K

H

F

A

A

M

L

M

D

G

G

F

F

D

S

S

S

L

I

R

R

I

K

E

E

L

Y

A

S

D

V

D

S

K

R

V

V

A

N

V

V

T

S

V

I

active site: S145 (= S145), Y158 (= Y158), K162 (= K162)
binding 2-[(1r,3s,5r,7s)-2-[4-(4-fluorophenyl)phenyl]-6-hydroxyadamantan-2-yl]-1-(3-hydroxyazetidin-1-yl)ethan-1-one: T99 (= T97), L101 (≠ W99), S145 (= S145), Y152 (≠ V152), P153 (= P153), V155 (≠ R155), Y158 (= Y158)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G16 (= G13), S18 (= S15), K19 (≠ E16), G20 (= G17), I21 (= I18), A40 (= A37), R41 (= R38), S42 (= S39), T67 (≠ S64), M68 (vs. gap), N94 (= N92), I96 (≠ A94), V143 (≠ I143), S145 (= S145), Y158 (= Y158), K162 (= K162)

Sites not aligning to the query:

3hfgA Crystal structure of human 11-beta-hydroxysteroid-dehydrogenase bound to an sulfonyl-piperazine inhibitor (see paper)
37% identity, 67% coverage: 4:185/270 of query aligns to 7:185/258 of 3hfgA

query
sites
3hfgA

L

L

M

Q

D

G

K

K

V

K

V

V

I

I

L

V

T

T

G
|
G

A

A

S
|
S

E

K

G
|
G

I
|
I

G

G

R

R

A

E

L

M

A

A

R

Y

E

H

L

L

A

A

R

K

L

M

G

G

C

A

H

H

L

V

V

V

L

V

T

T

A

A

R
|
R

S
|
S

E

K

T

E

R

T

L

L

Q

Q

S

K

L

V

A

V

L

S

E

H

L

C

A

L

Q

E

E

L

Q

G

G

A

A

A

Q

S

A

A

D

H

V

Y

L

I

V

A

H

G

S
x
T

-
x
M

A

E

D

D

L

M

T

T

H

F

P

-

H

-

E

-

C

A

R

E

E

Q

L

F

I

V

D

A

A

Q

C

A

I

G

A

K

R

L

F

M

G

G

R

G

L

L

D

D

I

M

L

L

I

I

-

L

N
|
N

N

H

A
x
I

G

T

M

N

T

T

M

S

W
x
L

S

N

R

L

F

F

D

H

E

D

L

-

E

-

D

D

L

I

A

H

I

H

L

V

E

R

Q

K

I

S

M

M

A

E

V

V

N

N

Y

F

L

L

A

S

P

Y

A

V

R

V

L

L

T

T

H

V

M

A

A

A

L

L

P

P

H

M

L

L

K

K

H

Q

S

S

Q

N

G

G

Q

S

V

I

V

V

A

V

I
x
V

A

S

S
|
S

V
x
L

A
|
A

G

G

L

K

T

V

G

A

V
x
Y

P

P

T

M

R

V

S

A

G

A

Y
|
Y

A

S

A

A

S

S

K
|
K

H

F

A

A

M

L

M

D

G

G

F

F

D

S

S

S

L

I

R

R

I

K

E

E

L

Y

A

S

D

V

D

S

K

R

V

V

A

N

V

V

T

S

V

I

active site: S145 (= S145), Y158 (= Y158), K162 (= K162)
binding (2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-{[3-(1H-1,2,4-triazol-1-yl)phenyl]sulfonyl}piperazine: I96 (≠ A94), L101 (≠ W99), L146 (≠ V146), A147 (= A147), Y152 (≠ V152), Y158 (= Y158)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G16 (= G13), S18 (= S15), G20 (= G17), I21 (= I18), R41 (= R38), S42 (= S39), T67 (≠ S64), M68 (vs. gap), N94 (= N92), I96 (≠ A94), V143 (≠ I143), S145 (= S145), Y158 (= Y158), K162 (= K162)

Sites not aligning to the query:

3czrA Crystal structure of human 11-beta-hydroxysteroid dehydrogenase (hsd1) in complex with arylsulfonylpiperazine inhibitor (see paper)
37% identity, 67% coverage: 4:185/270 of query aligns to 13:191/265 of 3czrA

query
sites
3czrA

L

L

M

Q

D

G

K

K

V

K

V

V

I

I

L

V

T

T

G
|
G

A

A

S
|
S

E

K

G
|
G

I
|
I

G

G

R

R

A

E

L

M

A

A

R

Y

E

H

L

L

A

A

R

K

L

M

G

G

C

A

H

H

L

V

V

V

L

V

T

T

A

A

R
|
R

S
|
S

E

K

T

E

R

T

L

L

Q

Q

S

K

L

V

A

V

L

S

E

H

L

C

A

L

Q

E

E

L

Q

G

G

A

A

A

Q

S

A

A

D

H

V

Y

L

I

V

A

H

G

S
x
T

-
x
M

A

E

D

D

L

M

T

T

H

F

P

-

H

-

E

-

C

A

R

E

E

Q

L

F

I

V

D

A

A

Q

C

A

I

G

A

K

R

L

F

M

G

G

R

G

L

L

D

D

I

M

L

L

I

I

-

L

N
|
N

N

H

A
x
I

G

T

M

N

T

T

M

S

W

L

S

N

R

L

F

F

D

H

E

D

L

-

E

-

D

D

L

I

A

H

I

H

L

V

E

R

Q

K

I

S

M

M

A

E

V

V

N

N

Y

F

L

L

A

S

P

Y

A

V

R

V

L

L

T

T

H

V

M

A

A

A

L

L

P

P

H

M

L

L

K

K

H

Q

S

S

Q

N

G

G

Q

S

V

I

V

V

A

V

I
x
V

A

S

S
|
S

V

L

A
|
A

G

G

L

K

T

V

G

A

V
x
Y

P
|
P

T

M

R

V

S

A

G

A

Y
|
Y

A

S

A

A

S

S

K
|
K

H

F

A

A

M

L

M

D

G

G

F

F

D

S

S

S

L

I

R

R

I

K

E

E

L

Y

A

S

D

V

D

S

K

R

V

V

A

N

V

V

T

S

V

I

active site: S151 (= S145), Y164 (= Y158), K168 (= K162)
binding (2R)-1-[(4-tert-butylphenyl)sulfonyl]-2-methyl-4-(4-nitrophenyl)piperazine: A153 (= A147), Y158 (≠ V152), P159 (= P153), Y164 (= Y158)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G22 (= G13), S24 (= S15), G26 (= G17), I27 (= I18), R47 (= R38), S48 (= S39), T73 (≠ S64), M74 (vs. gap), N100 (= N92), I102 (≠ A94), V149 (≠ I143), S151 (= S145), Y164 (= Y158), K168 (= K162)

Sites not aligning to the query:

4ijuB Crystal structure of 11b-hsd1 double mutant (l262r, f278e) in complex with (1s,4s)-4-[8-(2-fluorophenoxy)[1,2,4]triazolo[4,3-a]pyridin-3- yl]bicyclo[2.2.1]heptan-1-ol (see paper)
37% identity, 67% coverage: 4:185/270 of query aligns to 23:201/282 of 4ijuB

query
sites
4ijuB

L

L

M

Q

D

G

K

K

V

K

V

V

I

I

L

V

T

T

G
|
G

A

A

S
|
S

E

K

G
|
G

I
|
I

G

G

R

R

A

E

L

M

A

A

R

Y

E

H

L

L

A

A

R

K

L

M

G

G

C

A

H

H

L

V

V

V

L

V

T

T

A
|
A

R
|
R

S
|
S

E

K

T

E

R

T

L

L

Q

Q

S

K

L

V

A

V

L

S

E

H

L

C

A

L

Q

E

E

L

Q

G

G

A

A

A

Q

S

A

A

D

H

V

Y

L

I

V

A

H

G

S
x
T

-
x
M

A

E

D

D

L

M

T

T

H

F

P

-

H

-

E

-

C

A

R

E

E

Q

L

F

I

V

D

A

A

Q

C

A

I

G

A

K

R

L

F

M

G

G

R

G

L

L

D

D

I

M

L

L

I

I

-

L

N
|
N

N

H

A
x
I

G

T

M

N

T
|
T

M

S

W

L

S

N

R

L

F

F

D

H

E

D

L

-

E

-

D

D

L

I

A

H

I

H

L

V

E

R

Q

K

I

S

M

M

A

E

V

V

N

N

Y

F

L

L

A

S

P

Y

A

V

R

V

L

L

T

T

H

V

M

A

A

A

L

L

P

P

H

M

L

L

K

K

H

Q

S

S

Q

N

G

G

Q

S

V

I

V

V

A

V

I
x
V

A

S

S
|
S

V
x
L

A

A

G

G

L

K

T

V

G

A

V
x
Y

P

P

T

M

R

V

S

A

G

A

Y
|
Y

A

S

A

A

S

S

K
|
K

H

F

A

A

M

L

M

D

G

G

F

F

D

S

S

S

L

I

R

R

I

K

E

E

L

Y

A

S

D

V

D

S

K

R

V

V

A

N

V

V

T

S

V

I

active site: S161 (= S145), Y174 (= Y158), K178 (= K162)
binding (1s,4s)-4-[8-(2-fluorophenoxy)[1,2,4]triazolo[4,3-a]pyridin-3-yl]bicyclo[2.2.1]heptan-1-ol: T115 (= T97), S161 (= S145), L162 (≠ V146), Y168 (≠ V152), Y174 (= Y158)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G32 (= G13), S34 (= S15), G36 (= G17), I37 (= I18), A56 (= A37), R57 (= R38), S58 (= S39), T83 (≠ S64), M84 (vs. gap), N110 (= N92), I112 (≠ A94), V159 (≠ I143), S161 (= S145), Y174 (= Y158), K178 (= K162)

Sites not aligning to the query:

3pdjA Crystal structure of human 11-beta-hydroxysteroid dehydrogenase 1 (11b-hsd1) in complex with 4,4-disubstituted cyclohexylbenzamide inhibitor (see paper)
37% identity, 67% coverage: 4:185/270 of query aligns to 13:191/272 of 3pdjA

query
sites
3pdjA

L

L

M

Q

D

G

K

K

V

K

V

V

I

I

L

V

T

T

G
|
G

A

A

S
|
S

E
x
K

G
|
G

I
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I

G

G

R

R

A

E

L

M

A

A

R

Y

E

H

L

L

A

A

R

K

L

M

G

G

C

A

H

H

L

V

V

V

L

V

T

T

A
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A

R
|
R

S
|
S

E

K

T

E

R

T

L

L

Q

Q

S

K

L

V

A

V

L

S

E

H

L

C

A

L

Q

E

E

L

Q

G

G

A

A

A

Q

S

A

A

D

H

V

Y

L

I

V

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G

S
x
T

-
x
M

A

E

D

D

L

M

T

T

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F

P

-

H

-

E

-

C

A

R

E

E

Q

L

F

I

V

D

A

A

Q

C

A

I

G

A

K

R

L

F

M

G

G

R

G

L

L

D

D

I

M

L

L

I

I

-

L

N
|
N

N

H

A
x
I

G

T

M

N

T
|
T

M

S

W
x
L

S

N

R

L

F

F

D

H

E

D

L

-

E

-

D

D

L

I

A

H

I

H

L

V

E

R

Q

K

I

S

M

M

A

E

V

V

N

N

Y

F

L

L

A

S

P

Y

A

V

R

V

L

L

T

T

H

V

M

A

A

A

L

L

P

P

H

M

L

L

K

K

H

Q

S

S

Q

N

G

G

Q

S

V

I

V

V

A

V

I
x
V

A

S

S
|
S

V

L

A

A

G

G

L

K

T

V

G

A

V
x
Y

P

P

T

M

R

V

S

A

G

A

Y
|
Y

A

S

A

A

S

S

K
|
K

H

F

A

A

M

L

M

D

G

G

F

F

D

S

S

S

L

I

R

R

I

K

E

E

L

Y

A

S

D

V

D

S

K

R

V

V

A

N

V

V

T

S

V

I

active site: S151 (= S145), Y164 (= Y158), K168 (= K162)
binding N-[trans-4-(3-amino-3-oxopropyl)-4-phenylcyclohexyl]-N-cyclopropyl-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide: T105 (= T97), L107 (≠ W99), S151 (= S145), Y158 (≠ V152), Y164 (= Y158)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G22 (= G13), S24 (= S15), K25 (≠ E16), G26 (= G17), I27 (= I18), A46 (= A37), R47 (= R38), S48 (= S39), T73 (≠ S64), M74 (vs. gap), N100 (= N92), I102 (≠ A94), V149 (≠ I143), S151 (= S145), Y164 (= Y158), K168 (= K162)

Sites not aligning to the query:

3frjB Crystal structure of 11b-hydroxysteroid dehydrogenase-1 (11b-hsd1) in complex with piperidyl benzamide inhibitor (see paper)
37% identity, 67% coverage: 4:185/270 of query aligns to 13:191/265 of 3frjB

query
sites
3frjB

L

L

M

Q

D

G

K

K

V

K

V

V

I

I

L

V

T

T

G
|
G

A

A

S
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S

E

K

G
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G

I
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I

G

G

R

R

A

E

L

M

A

A

R

Y

E

H

L

L

A

A

R

K

L

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G

G

C

A

H

H

L

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R

S
|
S

E

K

T

E

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T

L

L

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Q

S

K

L

V

A

V

L

S

E

H

L

C

A

L

Q

E

E

L

Q

G

G

A

A

A

Q

S

A

A

D

H

V

Y

L

I

V

A

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G

S
x
T

-
x
M

A

E

D

D

L

M

T

T

H

F

P

-

H

-

E

-

C

A

R

E

E

Q

L

F

I

V

D

A

A

Q

C

A

I

G

A

K

R

L

F

M

G

G

R

G

L

L

D

D

I

M

L

L

I

I

-

L

N
|
N

N

H

A
x
I

G

T

M

N

T

T

M

S

W

L

S

N

R

L

F

F

D

H

E

D

L

-

E

-

D

D

L

I

A

H

I

H

L

V

E

R

Q

K

I

S

M

M

A

E

V

V

N

N

Y

F

L

L

A

S

P

Y

A

V

R

V

L

L

T

T

H

V

M

A

A

A

L

L

P

P

H

M

L

L

K

K

H

Q

S

S

Q

N

G

G

Q

S

V

I

V

V

A

V

I
x
V

A

S

S
|
S

V

L

A

A

G

G

L

K

T

V

G

A

V
x
Y

P

P

T

M

R

V

S

A

G

A

Y
|
Y

A

S

A

A

S

S

K
|
K

H

F

A

A

M

L

M

D

G

G

F

F

D

S

S

S

L

I

R

R

I

K

E

E

L

Y

A

S

D

V

D

S

K

R

V

V

A

N

V

V

T

S

V

I

active site: S151 (= S145), Y164 (= Y158), K168 (= K162)
binding N-{1-[(1-carbamoylcyclopropyl)methyl]piperidin-4-yl}-N-cyclopropyl-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide: S151 (= S145), Y158 (≠ V152), Y164 (= Y158)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G22 (= G13), S24 (= S15), G26 (= G17), I27 (= I18), R47 (= R38), S48 (= S39), T73 (≠ S64), M74 (vs. gap), N100 (= N92), I102 (≠ A94), V149 (≠ I143), S151 (= S145), Y164 (= Y158), K168 (= K162)

Sites not aligning to the query:

3d4nA Crystal structure of human 11-beta-hydroxysteroid dehydrogenase (hsd1) in complex with sulfonamide inhibitor (see paper)
37% identity, 67% coverage: 4:185/270 of query aligns to 12:190/261 of 3d4nA

query
sites
3d4nA

L

L

M

Q

D

G

K

K

V

K

V

V

I

I

L

V

T

T

G
|
G

A

A

S
|
S

E

K

G
|
G

I
|
I

G

G

R

R

A

E

L

M

A

A

R

Y

E

H

L

L

A

A

R

K

L

M

G

G

C

A

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H

L

V

V

V

L

V

T

T

A

A

R
|
R

S
|
S

E

K

T

E

R

T

L

L

Q

Q

S

K

L

V

A

V

L

S

E

H

L

C

A

L

Q

E

E

L

Q

G

G

A

A

A

Q

S

A

A

D

H

V

Y

L

I

V

A

H

G

S

T

-
x
M

A

E

D

D

L

M

T

T

H

F

P

-

H

-

E

-

C

A

R

E

E

Q

L

F

I

V

D

A

A

Q

C

A

I

G

A

K

R

L

F

M

G

G

R

G

L

L

D

D

I

M

L

L

I

I

-

L

N
|
N

N

H

A
x
I

G

T

M

N

T
|
T

M

S

W

L

S

N

R

L

F

F

D

H

E

D

L

-

E

-

D

D

L

I

A

H

I

H

L

V

E

R

Q

K

I

S

M

M

A

E

V

V

N

N

Y

F

L

L

A

S

P

Y

A

V

R

V

L

L

T

T

H

V

M

A

A

A

L

L

P

P

H

M

L

L

K

K

H

Q

S

S

Q

N

G

G

Q

S

V

I

V

V

A

V

I
x
V

A

S

S
|
S

V

L

A
|
A

G

G

L

K

T

V

G

A

V
x
Y

P

P

T

M

R

V

S

A

G

A

Y
|
Y

A

S

A

A

S

S

K
|
K

H

F

A

A

M

L

M

D

G

G

F

F

D

S

S

S

L

I

R

R

I

K

E

E

L

Y

A

S

D

V

D

S

K

R

V

V

A

N

V

V

T

S

V

I

active site: S150 (= S145), Y163 (= Y158), K167 (= K162)
binding 1-{[(3R)-3-methyl-4-({4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]phenyl}sulfonyl)piperazin-1-yl]methyl}cyclopropanecarboxamide: T104 (= T97), A152 (= A147), Y157 (≠ V152), Y163 (= Y158)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G21 (= G13), S23 (= S15), G25 (= G17), I26 (= I18), R46 (= R38), S47 (= S39), M73 (vs. gap), N99 (= N92), I101 (≠ A94), V148 (≠ I143), S150 (= S145), Y163 (= Y158), K167 (= K162)

Sites not aligning to the query:

Query Sequence

>6936200 FitnessBrowser__SB2B:6936200
MDGLMDKVVILTGASEGIGRALARELARLGCHLVLTARSETRLQSLALELAQEQGAQADV
LVHSADLTHPHECRELIDACIARFGRLDILINNAGMTMWSRFDELEDLAILEQIMAVNYL
APARLTHMALPHLKHSQGQVVAIASVAGLTGVPTRSGYAASKHAMMGFFDSLRIELADDK
VAVTVICPDFVVSQIHKRALDGKGNPLGTTPMKEDKIMSAEACAVAMVPAIACRERLLIM
SRRGRLGRWVRLLWPSLIDKLAKKAIAGGH

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