MolNFT v1 · #162382 · protein

Ligand complex of rorg lbd

6R7A · Nuclear receptor ror-gamma: “Ligand complex of rorg lbd”. X-ray diffraction, 2 ligands (JUE, NA), 4 pockets (best druggability 0.82). MolNFT v1 #162382 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6R7A
Type: protein
Length: 263 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Nuclear receptor ror-gamma; Lys-his-lys-ile-leu-his-arg-leu-leu-gln-asp-ser
UniProt: P51449
Ligands: JUE, NA
Pockets: 4 · best druggability 0.82

Structure

x-ray diffraction · 2 distinct chains · 73% helix, 4% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Nuclear receptor ror-gamma	protein	251	73% helix, 4% strand	P51449
C	Lys-his-lys-ile-leu-his-arg-leu-leu-gln-asp-ser	protein	12	67% helix, 0% strand	—

Ligands and binding sites

JUE · ~{N}-[(1~{R})-1-(4-methoxyphenyl)-2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]-2-oxidanylidene-3~{H}-pyridine-5-carboxamide · ligand · chains A
NA · Sodium ion · metal · chains A

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

Pockets

4 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	374	0.82	0.90	33	JUE
2	91	0.41	0.78	18	NA
3	63	0.33	0.76	16	empty
4	63	0.30	0.74	16	empty

Interfaces

1 interface between chains.

A–C · 564 Å² buried · 12 hydrogen bonds · protein-protein

Compared structures

6R7A · 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 6R7A · PDBe 6R7A · UniProt P51449

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