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Substituted benzyloxytricyclic compounds as retinoic acid-related orphan receptor gamma T agonists

Analyse Substituted benzyloxytricyclic compounds as retinoic acid-related orphan… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6XAE
Type: protein
Length: 253 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Nuclear receptor ror-gamma
UniProt: P51449
Ligands: Z7F
Pockets: 3 · best druggability 0.85

Structure

x-ray diffraction · 1 distinct chain · 71% helix, 4% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Nuclear receptor ror-gamma	protein	253	71% helix, 4% strand	P51449

Ligands and binding sites

Z7F · Trans-4-{(3ar,9br)-7-[(2-chloro-6-fluorophenyl) methoxy]-9B-[(4-fluorophenyl)sulfonyl]-1,2,3A,4,5,9B-hexahydro-3H-benzo[e]indole-3-carbonyl}cyclohexane-1-carboxylic acid · ligand · 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	438	0.85	0.92	38	Z7F
2	151	0.48	0.78	26	empty
3	98	0.41	0.77	17	empty

Compared structures

6XAE · Substituted benzyloxytricyclic compounds as retinoic acid-related orphan receptor gamma T… · 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 6XAE · PDBe 6XAE · UniProt P51449

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