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RORA_HUMAN_270_523

Nuclear receptor ROR-alpha [Nuclear hormone receptor family. NR1 subfamily]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (RORA_HUMAN):D: NR LBD (288:290, 320, 323, 326, 327, 330, 364, 365, 367, 368, 370, 371, 379:381, 391, 394, 396, 399, 400, 403, 484, 487, 507)288:290, 320, 323, 326, 327, 330, 364, 365, 367, 368, 370, 371, 379:381, 391, 394, 396, 399, 400, 403, 484, 487, 507
Cofactors (cF):TLLQLLLGH

Full PDB list

1n83, 1s0x, 4s15

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 cF
C
2
8
8
Q
2
8
9
Y
2
9
0
W
3
2
0
C
3
2
3
K
3
2
6
I
3
2
7
A
3
3
0
V
3
6
4
F
3
6
5
R
3
6
7
M
3
6
8
R
3
7
0
A
3
7
1
V
3
7
9
Y
3
8
0
F
3
8
1
F
3
9
1
L
3
9
4
F
3
9
9
I
4
0
0
V
4
0
3
H
4
8
4
K
4
8
7
[1]1n83.a clr28 . . . . . . . . . . . . . . . . . . . . . . . .
[1]1s0x.a c3s32 . . . . . . . . . . . . . . . . . . . . . . . .
[1]4s15.a 4d832 . . . . . . . . . . . . . . . . . . . . . . . . TLLQLLLGH

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 cF
C
2
8
8
Q
2
8
9
Y
2
9
0
W
3
2
0
C
3
2
3
K
3
2
6
I
3
2
7
A
3
3
0
V
3
6
4
F
3
6
5
R
3
6
7
M
3
6
8
R
3
7
0
A
3
7
1
V
3
7
9
Y
3
8
0
F
3
8
1
F
3
9
1
L
3
9
4
C
3
9
6
F
3
9
9
I
4
0
0
V
4
0
3
H
4
8
4
K
4
8
7
Y
5
0
7
[1]1n83.a . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]1s0x.a . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4s15.a . . . . . . . . . . . . . . . . . . . . . . . . . . TLLQLLLGH

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
1n83.a:clr
1s0x.a:c3s
4s15.a:4d8
[1] 1n83.a
0
0 0
[1] 1s0x.a 0
0
0
[1] 4s15.a 0 0.2
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
1n83.a
1s0x.a
4s15.a
[1] 1n83.a
0
0 .01
[1] 1s0x.a 0
0
.01
[1] 4s15.a .01 .01
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.6 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
1n83.a
1s0x.a
4s15.a
[1] 1n83.a
0
0.3 0.4
[1] 1s0x.a 0.3
0
0.5
[1] 4s15.a 0.4 0.5
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.3 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
1n83.a
1s0x.a
4s15.a
[1] 1n83.a
0
0.6 1.2
[1] 1s0x.a 0.6
0
1.0
[1] 4s15.a 1.2 1.0
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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