MolNFT v1 · #114027 · protein

Crystal structure of hppargamma ligand binding domain complexed with 17-oxodha

5AZV · Peroxisome proliferator-activated receptor gamma: “Crystal structure of hppargamma ligand binding domain complexed with 17-oxodha”. X-ray diffraction, 1 ligand (4M5), 7 pockets (best druggability 0.78). MolNFT v1 #114027 on…

PDB: 5AZV
Type: protein
Length: 505 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Peroxisome proliferator-activated receptor gamma
UniProt: P37231
Ligands: 4M5
Pockets: 7 · best druggability 0.78

Structure

x-ray diffraction · 2 distinct chains · 68% helix, 5% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Peroxisome proliferator-activated receptor gamma	protein	259	67% helix, 5% strand	P37231
B	Peroxisome proliferator-activated receptor gamma	protein	246	70% helix, 5% strand	P37231

Ligands and binding sites

4M5 · (4~{Z},7~{Z},10~{Z},13~{Z},19~{Z})-17-oxidanylidenedocosa-4,7,10,13,19-pentaenoic acid · ligand · 2 copies · chains A, B

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

Pockets

7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	552	0.78	0.84	63	4M5
2	553	0.74	0.82	66	4M5
3	235	0.53	0.77	26	empty
4	236	0.50	0.75	25	empty
5	94	0.50	0.83	20	empty

Interfaces

1 interface between chains.

A–B · 961 Å² buried · 11 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 covalent (covalent ligand).

Compared structures

5AZV · Crystal structure of hPPARgamma ligand binding domain complexed with 17-oxoDHA · 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 5AZV · PDBe 5AZV · UniProt P37231

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