MolNFT v1 · #140870 · protein

Crystal structure of rorgamma complexed with SRC2 and compound 5D

5YP5 · Nuclear receptor ror-gamma: “Crystal structure of rorgamma complexed with SRC2 and compound 5D”. X-ray diffraction, 1 ligand (4CZ), 3 pockets (best druggability 0.81). MolNFT v1 #140870 on GenesisL1: 3D structure, binding sites and…

PDB: 5YP5
Type: protein
Length: 251 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Nuclear receptor ror-gamma; SRC2-2 peptide
UniProt: P51449
Ligands: 4CZ
Pockets: 3 · best druggability 0.81

Structure

x-ray diffraction · 2 distinct chains · 71% helix, 4% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Nuclear receptor ror-gamma	protein	243	71% helix, 4% strand	P51449
B	SRC2-2 peptide	protein	8	75% helix, 0% strand	—

Ligands and binding sites

4CZ · 2-[4-(ethylsulfonyl)phenyl]-N-{5-[2-(2-methylpropyl) benzoyl]-4-phenyl-1,3-thiazol-2-yl}acetamide · ligand · 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	330	0.81	0.91	39	4CZ
2	91	0.45	0.80	17	empty
3	72	0.38	0.78	15	empty

Interfaces

1 interface between chains.

A–B · 478 Å² buried · 6 hydrogen bonds · protein-protein

Compared structures

5YP5 · Crystal structure of RORgamma complexed with SRC2 and compound 5d · 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 5YP5 · PDBe 5YP5 · UniProt P51449

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