MolNFT v1 · #124053 · protein

Crystal structure of retinoic acid receptor-related orphan receptor (ror) gamma ligand binding domain complex with uua

5K3M · Nuclear receptor ror-gamma: “Crystal structure of retinoic acid receptor-related orphan receptor (ror) gamma ligand binding domain complex…”. X-ray diffraction, 1 ligand (6Q5), 10 pockets (best druggability 0.83). MolNFT v1 #124053…

PDB: 5K3M
Type: protein
Length: 444 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Nuclear receptor ror-gamma
UniProt: P51449
Ligands: 6Q5
Pockets: 10 · best druggability 0.83

Structure

x-ray diffraction · 1 distinct chain · 70% helix, 5% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Nuclear receptor ror-gamma	protein	222	70% helix, 5% strand	P51449

Ligands and binding sites

6Q5 · Ursolic acid · ligand · 2 copies · chains A, B

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

Pockets

10 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	572	0.83	0.88	44	6Q5
2	713	0.80	0.84	59	6Q5
3	128	0.61	0.85	28	empty
4	171	0.53	0.79	18	empty
5	115	0.49	0.80	20	empty

Interfaces

1 interface between chains.

A–B · 307 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

5K3M · Crystal structure of Retinoic acid receptor-related orphan receptor (ROR) gamma ligand… · 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 5K3M · PDBe 5K3M · UniProt P51449

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