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ROR(GAMMA)T ligand binding domain in complex with cholesterol and allosteric ligand MRL871

Analyse ROR(GAMMA)T ligand binding domain in complex with cholesterol and allosteric… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6T4I
Type: protein
Length: 241 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Nuclear receptor ror-gamma
UniProt: P51449
Ligands: CLR, 4F1
Pockets: 5 · best druggability 0.83

Structure

x-ray diffraction · 1 distinct chain · 69% helix, 4% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Nuclear receptor ror-gamma	protein	241	69% helix, 4% strand	P51449

Ligands and binding sites

CLR · Cholesterol · ligand · chains A
4F1 · 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1H-indazol-3-yl}benzoic acid · ligand · chains A
GOL · Glycerol · additive · chains A

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

Pockets

5 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	387	0.83	0.91	36	CLR, GOL
2	192	0.80	0.94	27	4F1
3	67	0.37	0.78	17	empty
4	53	0.30	0.76	13	empty
5	56	0.28	0.74	13	empty

Compared structures

6T4I · ROR(gamma)t ligand binding domain in complex with cholesterol and allosteric ligand MRL871 · 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 6T4I · PDBe 6T4I · UniProt P51449

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