MolNFT v1 · #102065 · protein

Progesterone receptor with bound ulipristal acetate and a peptide from the co-repressor smrt

4OAR: “Progesterone receptor with bound ulipristal acetate and a peptide from the co-repressor smrt”. X-ray diffraction, 1 ligand (2S0), 4 pockets (best druggability 0.73). MolNFT v1 #102065 on GenesisL1: 3D structure, binding sites and…

PDB: 4OAR
Type: protein
Length: 252 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Progesterone receptor; Peptide from nuclear receptor corepressor 2
UniProt: P06401, Q9Y618
Ligands: 2S0
Pockets: 4 · best druggability 0.73

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Progesterone receptor	protein	241	66% helix, 5% strand	P06401
B	Peptide from nuclear receptor corepressor 2	protein	11	82% helix, 0% strand	Q9Y618

Ligands and binding sites

2S0 · [(8S,11R,13S,14S,17R)-17-acetyl-11-[4-(dimethylamino)phenyl]-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopen ta[a]phenanthren-17-yl] acetate · 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, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	469	0.73	0.82	31	2S0
2	213	0.70	0.86	26	empty
3	95	0.66	0.91	24	empty
4	59	0.27	0.74	19	empty

Interfaces

1 interface between chains.

A–B · 489 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

4OAR · Progesterone receptor with bound ulipristal acetate and a peptide from the co-repressor… · the same entry in another collection · chain A against A, TM-score 1.00
P06401 · AlphaFold monomer V2.0 prediction for progesterone receptor (P06401) · a predicted model of the same protein · chain A against A, TM-score 0.94
Q9Y618 · AlphaFold monomer V2.0 prediction for nuclear receptor corepressor 2 (Q9Y618) · a predicted model of the same protein · chain B against A, TM-score 0.87

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 P06401
Every structure of UniProt Q9Y618
Elsewhere: RCSB PDB 4OAR · PDBe 4OAR · UniProt P06401 · UniProt Q9Y618

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