MolNFT v1 · #161222 · protein

RORCVAR2 (rorgt, 264-499) in complex with compound 9 at 2.3A: identification of N-aryl imidazoles as potent and selective rorgt inhibitors

6Q7H · Nuclear receptor ror-gamma: “RORCVAR2 (rorgt, 264-499) in complex with compound 9 at 2.3A: identification of N-aryl imidazoles as potent…”. X-ray diffraction, 1 ligand (HL8), 3 pockets (best druggability 0.81). MolNFT v1 #161222 on…

PDB: 6Q7H
Type: protein
Length: 225 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Nuclear receptor ror-gamma
UniProt: P51449
Ligands: HL8
Pockets: 3 · best druggability 0.81

Structure

x-ray diffraction · 1 distinct chain · 73% helix, 4% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Nuclear receptor ror-gamma	protein	225	73% helix, 4% strand	P51449

Ligands and binding sites

HL8 · 1-[2,4-bis(chloranyl)-3-[2-(5-chloranylfuran-2-yl)-5-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]azetidine-3-carboxylic acid · ligand · 2 copies · chains A

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

Pockets

3 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	423	0.81	0.88	40	HL8
2	121	0.58	0.84	19	empty
3	59	0.41	0.82	14	empty

Compared structures

6Q7H · RORCVAR2 (RORGT, 264-499) IN COMPLEX WITH COMPOUND 9 AT 2.3A: 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 6Q7H · PDBe 6Q7H · UniProt P51449

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.