MolNFT v1 · #148779 · protein

Ligand complex of rorg lbd

6FGQ · Nuclear receptor ror-gamma: “Ligand complex of rorg lbd”. X-ray diffraction, 1 ligand (D9N), 8 pockets (best druggability 0.79). MolNFT v1 #148779 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6FGQ
Type: protein
Length: 443 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Nuclear receptor ror-gamma
UniProt: P51449
Ligands: D9N
Pockets: 8 · best druggability 0.79

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	229	65% helix, 4% strand	P51449
B	Nuclear receptor ror-gamma	protein	214	70% helix, 5% strand	P51449

Ligands and binding sites

D9N · Methyl 4-[[3-[5-[2-(4-ethylsulfonylphenyl) ethanoylamino]thiophen-3-yl]pyridin-2-yl]oxymethyl]benzoate · 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	425	0.79	0.87	40	D9N
2	615	0.76	0.82	68	D9N
3	167	0.51	0.78	19	empty
4	124	0.50	0.80	17	empty
5	70	0.35	0.77	14	empty

Interfaces

1 interface between chains.

A–B · 529 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

6FGQ · Ligand complex of RORg LBD · 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 6FGQ · PDBe 6FGQ · UniProt P51449

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