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EDNRB_HUMAN_64_407_TM

Endothelin receptor type B [G-protein coupled receptor 1 family. Endothelin receptor subfamily. EDNRB sub-subfamily]

Composition of the binding site

Protein chains monomer
A1 (EDNRB_HUMAN):85:90, 94, 96, 97, 150, 153:155, 157, 158, 161, 165:167, 177, 178, 181, 182, 185, 240, 243, 245:247, 252:259, 273, 277, 281, 336, 339, 340, 343, 346, 350, 352, 357, 358, 361, 364, 365, 368, 369, 372, 375, 37685:90, 94, 96, 97, 150, 153:155, 157, 158, 161, 165:167, 177, 178, 181, 182, 185, 240, 243, 245:247, 252:259, 273, 277, 281, 336, 339, 340, 343, 346, 350, 352, 357, 358, 361, 364, 365, 368, 369, 372, 375, 376

Full PDB list

5glh, 5gli, 5x93, 5xpr

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
I
9
4
I
9
6
H
1
5
0
D
1
5
4
I
1
5
7
N
1
5
8
K
1
6
1
E
1
6
5
V
1
7
7
P
1
7
8
Q
1
8
1
K
1
8
2
V
1
8
5
F
2
4
0
I
2
4
3
M
2
4
5
D
2
4
6
Y
2
4
7
L
2
5
2
I
2
5
4
C
2
5
5
L
2
5
6
L
2
5
7
H
2
5
8
P
2
5
9
K
2
7
3
L
2
7
7
Y
2
8
1
W
3
3
6
L
3
3
9
H
3
4
0
R
3
4
3
K
3
4
6
Y
3
5
0
Q
3
5
2
R
3
5
7
C
3
5
8
L
3
6
1
L
3
6
4
L
3
6
5
D
3
6
8
Y
3
6
9
I
3
7
2
A
3
7
5
S
3
7
6
[1]5glh.a CSCSSLMDKECVYFCHLDIIW171 . . . A . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5xpr.a k8639 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[2]5gli.a none . . . A . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[2]5x93.a k8749 . . . A . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

Legend

B backbone contact  S side chain contact  F BB + SCh
.
 no contact C covalent bond
X mutation to X * complex cases - deletion
M contact with cofactors/metals (if any)

Site contact map

[download in TSV format]
   
PDB.ch
A1
I
8
5
S
8
6
P
8
7
P
8
8
P
8
9
C
9
0
I
9
4
I
9
6
K
9
7
H
1
5
0
I
1
5
3
D
1
5
4
I
1
5
5
I
1
5
7
N
1
5
8
K
1
6
1
E
1
6
5
D
1
6
6
W
1
6
7
V
1
7
7
P
1
7
8
Q
1
8
1
K
1
8
2
V
1
8
5
F
2
4
0
I
2
4
3
M
2
4
5
D
2
4
6
Y
2
4
7
L
2
5
2
R
2
5
3
I
2
5
4
C
2
5
5
L
2
5
6
L
2
5
7
H
2
5
8
P
2
5
9
K
2
7
3
L
2
7
7
Y
2
8
1
W
3
3
6
L
3
3
9
H
3
4
0
R
3
4
3
K
3
4
6
Y
3
5
0
Q
3
5
2
R
3
5
7
C
3
5
8
L
3
6
1
L
3
6
4
L
3
6
5
D
3
6
8
Y
3
6
9
I
3
7
2
A
3
7
5
S
3
7
6
[1]5glh.a - - - . . . . . . . . A . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . .
[1]5xpr.a - - - - - . . . . . . * . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[2]5gli.a . . * * * . . . * . . A . . * . . . . . . * . . . . . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . .
[2]5x93.a . . * * * . . . * . . A . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . .

Legend

B backbone contact  S side chain contact  F BB + SCh
.
 no contact C covalent bond
X X X X X  clash
X mutation to X * complex cases - deletion
M contact with cofactors/metals (if any)

Pocket-ligand steric compatibility

Ligands (x) vs pockets (y) colored by number of steric clashes

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pocketligand
≥10
9
8
7
6
5
4
3
2
1
0
5glh.a:CSCSSLMDKECVYFCHLDIIW
5xpr.a:k86
5gli.a is apo
5x93.a:k87
[1] 5glh.a
0.6
1.9 - 4.4
[1] 5xpr.a 2.2
0.1
- 3.7
[2] 5gli.a 13 1.8
-
3.5
[2] 5x93.a 14 0.1 -
0
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (2 clusters)

Pockets (x) vs pockets (y) colored by ligand clash profile difference

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pocketpocket
≥1.
.9
.8
.7
.6
.5
.4
.3
.2
.1
.0
5glh.a
5xpr.a
5gli.a
5x93.a
[1] 5glh.a
0
.08 .29 .29
[1] 5xpr.a .08
0
.29 .28
[2] 5gli.a .29 .29
0
.10
[2] 5x93.a .29 .28 .10
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 2.1 Å)

Pockets (x) vs pockets (y) colored by RMSD of site residue backbone atoms

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pocketpocket
≥10 Å
9 Å
8 Å
7 Å
6 Å
5 Å
4 Å
3 Å
2 Å
1 Å
0 Å
5glh.a
5xpr.a
5gli.a
5x93.a
[1] 5glh.a
0
2.9 3.0 2.8
[1] 5xpr.a 2.9
0
1.9 2.0
[2] 5gli.a 3.0 1.9
0
1.0
[2] 5x93.a 2.8 2.0 1.0
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 1.9 Å)

Pockets (x) vs pockets (y) colored by RMSD of all site residue atoms

zoom: [−] [+]; [view as image]; [download as text]

pocketpocket
≥10 Å
9 Å
8 Å
7 Å
6 Å
5 Å
4 Å
3 Å
2 Å
1 Å
0 Å
5glh.a
5xpr.a
5gli.a
5x93.a
[1] 5glh.a
0
3.2 3.4 3.1
[1] 5xpr.a 3.2
0
2.1 2.2
[2] 5gli.a 3.4 2.1
0
1.4
[2] 5x93.a 3.1 2.2 1.4
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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