MolNFT v1 · #89958 · protein

Crystal structure of ppargamma with the ligand FS214

4E4Q · Peroxisome proliferator-activated receptor gamma: “Crystal structure of ppargamma with the ligand FS214”. X-ray diffraction, 1 ligand (RRH), 9 pockets (best druggability 0.82). MolNFT v1 #89958 on GenesisL1: 3D structure, binding…

PDB: 4E4Q
Type: protein
Length: 536 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Peroxisome proliferator-activated receptor gamma
UniProt: P37231
Ligands: RRH
Pockets: 9 · best druggability 0.82

Structure

x-ray diffraction · 1 distinct chain · 67% helix, 5% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Peroxisome proliferator-activated receptor gamma	protein	268	67% helix, 5% strand	P37231

Ligands and binding sites

RRH · (2R)-3-phenyl-2-{[2'-(propan-2-yl)biphenyl-4-yl]oxy}propanoic acid · ligand · chains A

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

Pockets

9 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	468	0.82	0.89	62	RRH
2	1026	0.82	0.82	93	empty
3	267	0.61	0.80	26	empty
4	61	0.46	0.83	14	empty
5	101	0.45	0.79	21	empty

Interfaces

1 interface between chains.

A–B · 969 Å² buried · 12 hydrogen bonds · protein-protein

Compared structures

4E4Q · Crystal structure of PPARgamma with the ligand FS214 · 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 P37231
Elsewhere: RCSB PDB 4E4Q · PDBe 4E4Q · UniProt P37231

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