MolNFT v1 · #145687 · protein

Identification and biological evaluation of thiazole-based inverse agonists of rorgt

6CVH · Nuclear receptor ror-gamma: “Identification and biological evaluation of thiazole-based inverse agonists of rorgt”. X-ray diffraction, 1 ligand (FJG), 3 pockets (best druggability 0.83). MolNFT v1 #145687 on GenesisL1: 3D structure…

PDB: 6CVH
Type: protein
Length: 227 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Nuclear receptor ror-gamma
UniProt: P51449
Ligands: FJG
Pockets: 3 · best druggability 0.83

Structure

x-ray diffraction · 1 distinct chain · 67% helix, 4% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Nuclear receptor ror-gamma	protein	227	67% helix, 4% strand	P51449

Ligands and binding sites

FJG · Trans-3-({4-(cyclohexylmethyl)-5-[3-(1-methylcyclopropyl)-5-{[(2R)-1,1,1-trifluoropropan-2-yl]carbamoyl}phenyl]-1,3-thiazole-2-carbonyl}amino) cyclobutane-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	802	0.83	0.85	54	FJG
2	143	0.43	0.75	21	empty
3	77	0.42	0.80	16	empty

Compared structures

6CVH · Identification and biological evaluation of thiazole-based inverse agonists of RORgt · 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 6CVH · PDBe 6CVH · UniProt P51449

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