MolNFT v1 · #119696 · protein

Ligand complex of rorg lbd

5G43 · Nuclear receptor ror-gamma: “Ligand complex of rorg lbd”. X-ray diffraction, 1 ligand (5IM), 4 pockets (best druggability 0.83). MolNFT v1 #119696 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5G43
Type: protein
Length: 264 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Nuclear receptor ror-gamma; Rorg
UniProt: P51449
Ligands: 5IM
Pockets: 4 · best druggability 0.83

Structure

x-ray diffraction · 2 distinct chains · 67% helix, 4% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Nuclear receptor ror-gamma	protein	252	68% helix, 4% strand	P51449
C	Rorg	protein	12	50% helix, 0% strand	—

Ligands and binding sites

5IM · 2-(1-piperidinyl)-1,3-thiazol-4-amine · ligand · 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	416	0.83	0.90	33	5IM
2	70	0.38	0.78	15	empty
3	59	0.35	0.78	13	empty
4	75	0.33	0.75	14	empty

Interfaces

1 interface between chains.

A–C · 611 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

5G43 · 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 5G43 · PDBe 5G43 · UniProt P51449

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