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RORCVAR2 (rorgt, 264-499) in complex with compound 4 at 2.2A: identification of N-aryl imidazoles as potent and selective rorgt inhibitors

Analyse RORCVAR2 (rorgt, 264-499) in complex with compound 4 at 2.2A: identification of… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6Q7A
Type: protein
Length: 228 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Nuclear receptor ror-gamma
UniProt: P51449
Ligands: HKZ
Pockets: 5 · best druggability 0.82

Structure

x-ray diffraction · 1 distinct chain · 72% helix, 5% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Nuclear receptor ror-gamma	protein	228	72% helix, 5% strand	P51449

Ligands and binding sites

HKZ · 1-[2,6-bis(chloranyl)phenyl]-2-(furan-2-yl)-5-methyl-4-(phenylmethyl)imidazole · ligand · chains A

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

Pockets

5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	303	0.82	0.92	38	HKZ
2	126	0.53	0.81	20	empty
3	106	0.44	0.78	16	empty
4	116	0.38	0.74	18	empty
5	61	0.33	0.76	14	empty

Compared structures

6Q7A · RORCVAR2 (RORGT, 264-499) IN COMPLEX WITH COMPOUND 4 AT 2.2A: Identification of N-aryl… · 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 6Q7A · PDBe 6Q7A · UniProt P51449

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