MolNFT v1 · #144822 · protein

Pparg lbd bound to SR10171

6C5Q · Peroxisome proliferator-activated receptor gamma: “Pparg lbd bound to SR10171”. X-ray diffraction, 1 ligand (EKS), 3 pockets (best druggability 0.80). MolNFT v1 #144822 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6C5Q
Type: protein
Length: 278 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Peroxisome proliferator-activated receptor gamma
UniProt: P37231
Ligands: EKS
Pockets: 3 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 64% helix, 4% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Peroxisome proliferator-activated receptor gamma	protein	278	64% helix, 4% strand	P37231

Ligands and binding sites

EKS · 2-{3-[(5-{[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]phenoxy}-2-methylpropanoic acid · ligand · 2 copies · 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	961	0.80	0.81	69	EKS
2	50	0.30	0.76	14	empty
3	54	0.28	0.75	12	empty

Modifications

Observed in the structure: 1 modified (oxidation).

Compared structures

6C5Q · PPARg LBD bound to SR10171 · 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 6C5Q · PDBe 6C5Q · UniProt P37231

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