MolNFT v1 · #112391 · protein

Rorgamma in complex with inverse agonist 16

4ZJW · Nuclear receptor ror-gamma: “Rorgamma in complex with inverse agonist 16”. X-ray diffraction, 1 ligand (4P1), 9 pockets (best druggability 0.84). MolNFT v1 #112391 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4ZJW
Type: protein
Length: 441 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Nuclear receptor ror-gamma
UniProt: P51449
Ligands: 4P1
Pockets: 9 · best druggability 0.84

Structure

x-ray diffraction · 2 distinct chains · 67% helix, 5% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Nuclear receptor ror-gamma	protein	219	68% helix, 5% strand	P51449
B	Nuclear receptor ror-gamma	protein	222	67% helix, 5% strand	P51449

Ligands and binding sites

4P1 · 4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-1,2,3,4-tetrahydroquinolin-6-yl]-N-methylbenzamide · ligand · chains A

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

Pockets

9 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	364	0.84	0.92	32	4P1
2	404	0.83	0.91	38	empty
3	96	0.63	0.89	23	empty
4	165	0.52	0.79	33	empty
5	171	0.47	0.76	21	empty

Interfaces

1 interface between chains.

A–B · 1323 Å² buried · 12 hydrogen bonds · protein-protein

Compared structures

4ZJW · RORgamma in complex with inverse agonist 16 · 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 4ZJW · PDBe 4ZJW · UniProt P51449

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