MolNFT v1 · #158938 · protein

Crystal structure of rar-related orphan receptor C in complex with a phenyl (3-phenylpyrrolidin-3-YL)SULFONE inhibitor

6O98 · Nuclear receptor ror-gamma: “Crystal structure of rar-related orphan receptor C in complex with a phenyl (3-phenylpyrrolidin-3-YL)SULFONE…”. X-ray diffraction, 1 ligand (L8A), 8 pockets (best druggability 0.81). MolNFT v1 #158938 on…

PDB: 6O98
Type: protein
Length: 446 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Nuclear receptor ror-gamma
UniProt: P51449
Ligands: L8A
Pockets: 8 · best druggability 0.81

Structure

x-ray diffraction · 2 distinct chains · 71% helix, 4% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Nuclear receptor ror-gamma	protein	223	71% helix, 4% strand	P51449
B	Nuclear receptor ror-gamma	protein	223	72% helix, 4% strand	P51449

Ligands and binding sites

L8A · 1-(4-{(3R)-3-[(4-fluorophenyl)sulfonyl]-3-[4-(1,1,1,3, 3,3-hexafluoro-2-hydroxypropan-2-yl) phenyl]pyrrolidine-1-carbonyl}piperazin-1-yl)ethan-1-one · ligand · 2 copies · chains A, B

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

Pockets

8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	400	0.81	0.89	34	L8A
2	395	0.81	0.89	32	L8A
3	655	0.68	0.76	47	empty
4	204	0.53	0.78	21	empty
5	91	0.47	0.81	17	empty

Interfaces

1 interface between chains.

A–B · 251 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

6O98 · Crystal structure of RAR-related orphan receptor C in complex with a phenyl… · 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 6O98 · PDBe 6O98 · UniProt P51449

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