MolNFT v1 · #176870 · protein

X-ray structure of human ppargamma ligand binding domain-saroglitazar co-crystals obtained by co-crystallization

7E0A · Isoform 2 of peroxisome proliferator-activated receptor…: “X-ray structure of human ppargamma ligand binding domain-saroglitazar co-crystals obtained by…”. X-ray diffraction, 1 ligand (EWR), 2 pockets (best druggability 0.84).…

PDB: 7E0A
Type: protein
Length: 267 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Isoform 2 of peroxisome proliferator-activated receptor gamma
Ligands: EWR
Pockets: 2 · best druggability 0.84

Structure

x-ray diffraction · 1 distinct chain · 66% helix, 5% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Isoform 2 of peroxisome proliferator-activated receptor gamma	protein	267	66% helix, 5% strand	—

Ligands and binding sites

EWR · (2S)-2-ethoxy-3-[4-[2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethoxy]phenyl]propanoic acid · ligand · 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	406	0.84	0.92	52	EWR
2	53	0.27	0.73	11	empty

Compared structures

7E0A · X-ray structure of human PPARgamma ligand binding domain-saroglitazar co-crystals… · 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
Elsewhere: RCSB PDB 7E0A · PDBe 7E0A

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