MolNFT v1 · #128157 · protein

Ligand complex of rorg lbd

5NI5 · Nuclear receptor ror-gamma: “Ligand complex of rorg lbd”. X-ray diffraction, 2 ligands (8YB, NA), 3 pockets (best druggability 0.83). MolNFT v1 #128157 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5NI5
Type: protein
Length: 262 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Nuclear receptor ror-gamma; Tethered SRC2-2 peptide
UniProt: P51449
Ligands: 8YB, NA
Pockets: 3 · best druggability 0.83

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	250	74% helix, 4% strand	P51449
C	Tethered SRC2-2 peptide	protein	12	67% helix, 0% strand	—

Ligands and binding sites

8YB · ~{N}-[4-(3-chlorophenyl)-5-(2-chlorophenyl)carbonyl-1, 3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)ethanamide · 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

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	364	0.83	0.91	36	8YB
2	87	0.43	0.79	16	empty
3	66	0.39	0.79	16	NA

Interfaces

1 interface between chains.

A–C · 528 Å² buried · 8 hydrogen bonds · protein-protein

Compared structures

5NI5 · 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 5NI5 · PDBe 5NI5 · UniProt P51449

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