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CRFR1_HUMAN_24_112_ECD

Corticotropin-releasing factor receptor 1 [G-protein coupled receptor 2 family]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (CRFR1_HUMAN):R: Important for peptide agonist binding (99, 102:108)
50, 51, 69, 72, 73, 75, 77, 96, 97
50, 51, 69, 72, 73, 75, 77, 96, 97, 99, 102:108

Full PDB list

3ehs, 3eht, 3ehu

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
L
5
0
I
5
1
P
6
9
F
7
2
Y
7
3
V
7
5
Y
7
7
R
9
6
V
9
7
Y
9
9
C
1
0
2
Q
1
0
3
E
1
0
4
[1]3ehu.b QLAQQAHSNRKLMEIInh2123 . . . . . . . . . . . . .
[2]3eht.a AHSNRKLMEIInh291 . . . . . . . . . . . . -
[3]3ehs.a none . . . . . . . . . . . . .

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
L
5
0
I
5
1
P
6
9
F
7
2
Y
7
3
V
7
5
Y
7
7
R
9
6
V
9
7
Y
9
9
C
1
0
2
Q
1
0
3
E
1
0
4
I
1
0
5
L
1
0
6
N
1
0
7
E
1
0
8
[1]3ehu.b . . . . * * . . . . . . * - - - -
[2]3eht.a . . . . . . . * . . . . - - - - -
[3]3ehs.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
3ehu.b:QLAQQAHSNRKLMEIInh2
3eht.a:AHSNRKLMEIInh2
3ehs.a is apo
[1] 3ehu.b
0
5.6 -
[2] 3eht.a 0.7
0
-
[3] 3ehs.a 2.5 9.4
-
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (3 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
3ehu.b
3eht.a
3ehs.a
[1] 3ehu.b
0
.37 .88
[2] 3eht.a .37
0
.59
[3] 3ehs.a .88 .59
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 2.6 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
3ehu.b
3eht.a
3ehs.a
[1] 3ehu.b
0
3.5 4.0
[2] 3eht.a 3.5
0
1.3
[3] 3ehs.a 4.0 1.3
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 1.3 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
3ehu.b
3eht.a
3ehs.a
[1] 3ehu.b
0
5.4 5.9
[2] 3eht.a 5.4
0
2.6
[3] 3ehs.a 5.9 2.6
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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