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NTR1_RAT_41_396_TM

Neurotensin receptor type 1 [G-protein coupled receptor 1 family. Neurotensin receptor subfamily. NTSR1 sub-subfamily]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (NTR1_RAT):R: Neurotensin binding (327, 328, 331, 332, 334:337, 339:341, 344, 347, 348)
53:58, 128, 132, 133, 146, 208, 213, 224:227, 231, 238, 351
53:58, 128, 132, 133, 146, 208, 213, 224:227, 231, 238, 327, 328, 331, 332, 334:337, 339:341, 344, 347, 348, 351

Full PDB list

3zev, 4buo, 4bv0, 4bwb, 4grv, 4xee, 4xes, 5t04 (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
S
5
3
D
5
4
L
5
5
D
5
6
N
5
8
F
1
2
8
H
1
3
2
Y
1
4
6
M
2
0
8
R
2
1
3
V
2
2
4
T
2
2
6
I
2
3
8
R
3
2
7
R
3
2
8
F
3
3
1
C
3
3
2
I
3
3
4
S
3
3
5
D
3
3
6
E
3
3
7
W
3
3
9
F
3
4
4
Y
3
4
7
H
3
4
8
Y
3
5
1
[1]3zev.a GRRPYIL62 . . . . . . . . . L . . . . . . . . . . . . . . . .
[1]3zev.b GGRRPYIL66 . . . . . . . . . L . . . . . . . . . . . . . . . .
[1]4buo.a RRPYIL58 . . . . . . . . . L . . . . . . . . . . . . . . . .
[1]4bv0.a GRRPYIL62 . . . . . . . . V L . . . . . . V . . . . . . . . .
[1]4bwb.a RRPYI49 . . . . . . . . . L . . . . . . V . . . . . . . . .
[1]4bwb.b PYI27 . . . . . . . . . L . . . . . . V . . . . . . . . .
[1]4xes.a RRPYIL58 . . . . . . . . . . . . . . . . . . . . . . . . . .

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
S
5
3
D
5
4
L
5
5
D
5
6
V
5
7
N
5
8
F
1
2
8
H
1
3
2
H
1
3
3
Y
1
4
6
M
2
0
8
R
2
1
3
V
2
2
4
C
2
2
5
T
2
2
6
P
2
2
7
T
2
3
1
I
2
3
8
R
3
2
7
R
3
2
8
F
3
3
1
C
3
3
2
I
3
3
4
S
3
3
5
D
3
3
6
E
3
3
7
W
3
3
9
T
3
4
0
T
3
4
1
F
3
4
4
Y
3
4
7
H
3
4
8
Y
3
5
1
[1]3zev.a . . . . . . . . . . . L . . . . . . . . . . . . . . . . . . . . .
[1]3zev.b . . . . . . . . . . . L . . . . . . . . . . . . . . . . . . . . .
[1]4buo.a . . . . . . . . . . . L . . . . . . . . . . . . . . . . . . . . .
[1]4bv0.a . . . . . . . . . . V L . . . . . . . . . V . . . . . . . . . . .
[1]4bwb.a . . . . . . . . . . . L . . . . . . . . . V . . . . . . . . . . .
[1]4bwb.b . . . . . . . . . . . L . . . . . . . . . V . . . . . . . . . . .
[1]4xes.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
3zev.a:GRRPYIL
3zev.b:GGRRPYIL
4buo.a:RRPYIL
4bv0.a:GRRPYIL
4bwb.a:RRPYI
4bwb.b:PYI
4xes.a:RRPYIL
[1] 3zev.a
0.1
0.5 0.3 0.3 0.4 0.1 0.3
[1] 3zev.b 0.2
0.2
0.2 0.2 0.3 0.1 0.1
[1] 4buo.a 0.2 0.2
0.2
0.2 0.4 0.2 0.2
[1] 4bv0.a 0.4 0.9 0.4
0.2
0.4 0.1 0.5
[1] 4bwb.a 0.6 0.7 0.4 0.3
0.4
0.1 0.1
[1] 4bwb.b 0.4 0.4 0.5 0.2 0.3
0.1
0.2
[1] 4xes.a 0.5 1.3 1.0 0.7 0.8 0.1
0
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (1 cluster)

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
3zev.a
3zev.b
4buo.a
4bv0.a
4bwb.a
4bwb.b
4xes.a
[1] 3zev.a
0
.01 .01 .02 .02 .02 .04
[1] 3zev.b .01
0
.01 .03 .03 .02 .05
[1] 4buo.a .01 .01
0
.02 .03 .02 .05
[1] 4bv0.a .02 .03 .02
0
.03 .04 .06
[1] 4bwb.a .02 .03 .03 .03
0
.02 .03
[1] 4bwb.b .02 .02 .02 .04 .02
0
.03
[1] 4xes.a .04 .05 .05 .06 .03 .03
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.9 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
3zev.a
3zev.b
4buo.a
4bv0.a
4bwb.a
4bwb.b
4xes.a
[1] 3zev.a
0
0.4 0.5 0.5 0.8 0.5 0.5
[1] 3zev.b 0.4
0
0.3 0.6 0.8 0.6 0.7
[1] 4buo.a 0.5 0.3
0
0.5 0.7 0.5 0.7
[1] 4bv0.a 0.5 0.6 0.5
0
0.8 0.5 0.7
[1] 4bwb.a 0.8 0.8 0.7 0.8
0
0.6 0.8
[1] 4bwb.b 0.5 0.6 0.5 0.5 0.6
0
0.7
[1] 4xes.a 0.5 0.7 0.7 0.7 0.8 0.7
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.5 Å)

Pockets (x) vs pockets (y) colored by RMSD of all site residue 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
3zev.a
3zev.b
4buo.a
4bv0.a
4bwb.a
4bwb.b
4xes.a
[1] 3zev.a
0
0.5 0.9 0.9 1.1 0.9 0.9
[1] 3zev.b 0.5
0
0.8 0.9 1.1 0.9 1.0
[1] 4buo.a 0.9 0.8
0
0.9 1.1 0.8 1.1
[1] 4bv0.a 0.9 0.9 0.9
0
1.2 0.9 1.1
[1] 4bwb.a 1.1 1.1 1.1 1.2
0
0.8 1.2
[1] 4bwb.b 0.9 0.9 0.8 0.9 0.8
0
1.2
[1] 4xes.a 0.9 1.0 1.1 1.1 1.2 1.2
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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