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Rorgamma ligand binding domain

Analyse Rorgamma ligand binding domain in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6NWT
Type: protein
Length: 468 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Nuclear receptor ror-gamma
UniProt: P51449
Ligands: L7P
Pockets: 7 · best druggability 0.83

Structure

x-ray diffraction · 2 distinct chains · 68% helix, 4% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Nuclear receptor ror-gamma	protein	233	69% helix, 4% strand	P51449
C	Nuclear receptor ror-gamma	protein	235	68% helix, 4% strand	P51449

Ligands and binding sites

L7P · 1,1,1,3,3,3-hexafluoro-2-[2-fluoro-4'-({4-[(pyridin-4-yl)methyl]piperazin-1-yl}methyl)[1,1'-biphenyl]-4-yl]propan-2-ol · ligand · 2 copies · chains A, C

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	315	0.83	0.93	35	L7P
2	1006	0.83	0.83	101	L7P
3	52	0.67	0.95	19	empty
4	192	0.49	0.76	21	empty
5	144	0.49	0.78	18	empty

Interfaces

1 interface between chains.

A–C · 703 Å² buried · 1 hydrogen bond · protein-protein

Compared structures

6NWT · RORgamma Ligand Binding Domain · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P51449
Elsewhere: RCSB PDB 6NWT · PDBe 6NWT · UniProt P51449

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