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NR1I3_MOUSE_114_358

Nuclear receptor subfamily 1 group I member 3 [Nuclear hormone receptor family. NR1 subfamily]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (NR1I3_MOUSE):D: NR LBD (142, 171, 172, 174, 175, 213, 216, 227, 229, 234:236, 239, 244, 248, 249, 252, 253, 336, 339, 340, 343, 344, 346, 350, 353)142, 171, 172, 174, 175, 213, 216, 227, 229, 234:236, 239, 244, 248, 249, 252, 253, 336, 339, 340, 343, 344, 346, 350, 353

Full PDB list

1xls, 1xnx

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
F
1
4
2
F
1
7
1
A
1
7
2
I
1
7
4
N
1
7
5
L
2
1
6
F
2
2
7
C
2
2
9
Y
2
3
4
K
2
3
5
M
2
3
6
A
2
3
9
F
2
4
4
F
2
4
8
L
2
4
9
I
2
5
2
L
2
5
3
Y
3
3
6
E
3
3
9
L
3
4
0
L
3
4
3
L
3
4
6
T
3
5
0
L
3
5
3
[1]1xls.e tcd24 . . . . . . . . . . . . . . . . . . . . . . . .
[1]1xnx.a ate20 . . . . . . . . . . . . . . . . . . . . . - - -

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
F
1
4
2
F
1
7
1
A
1
7
2
I
1
7
4
N
1
7
5
H
2
1
3
L
2
1
6
F
2
2
7
C
2
2
9
Y
2
3
4
K
2
3
5
M
2
3
6
A
2
3
9
F
2
4
4
F
2
4
8
L
2
4
9
I
2
5
2
L
2
5
3
Y
3
3
6
E
3
3
9
L
3
4
0
L
3
4
3
E
3
4
4
L
3
4
6
T
3
5
0
L
3
5
3
[1]1xls.e . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1xnx.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
1xls.e:tcd
1xnx.a:ate
[1] 1xls.e
0.1
1.2
[1] 1xnx.a 3.3
0
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (1 cluster)

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

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

pocketpocket
≥1.
.9
.8
.7
.6
.5
.4
.3
.2
.1
.0
1xls.e
1xnx.a
[1] 1xls.e
0
.17
[1] 1xnx.a .17
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 2.0 Å)

Pockets (x) vs pockets (y) colored by RMSD of site residue backbone 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
1xls.e
1xnx.a
[1] 1xls.e
0
2.5
[1] 1xnx.a 2.5
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
1xls.e
1xnx.a
[1] 1xls.e
0
3.9
[1] 1xnx.a 3.9
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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