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Crystal structure of ppargamma in complex with compound TK90

Analyse Crystal structure of ppargamma in complex with compound TK90 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7A7H
Type: protein
Length: 257 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Peroxisome proliferator-activated receptor gamma
UniProt: P37231
Ligands: TK9
Pockets: 2 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 69% helix, 5% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Peroxisome proliferator-activated receptor gamma	protein	257	69% helix, 5% strand	P37231

Ligands and binding sites

TK9 · (2~{R})-2-[[4-[[4-methoxy-2-(trifluoromethyl) phenyl]methylcarbamoyl]phenyl]methyl]butanoic acid · ligand · chains A
EDO · 1,2-ethanediol · additive · chains A

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

Pockets

2 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	337	0.77	0.88	47	TK9, EDO
2	92	0.38	0.76	16	empty

Compared structures

7A7H · Crystal structure of PPARgamma in complex with compound TK90 · 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 7A7H · PDBe 7A7H · UniProt P37231

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