MolNFT v1 · #80031 · protein

Crystal structure ppar delta binding GW0742

3TKM · Peroxisome proliferator-activated receptor delta: “Crystal structure ppar delta binding GW0742”. X-ray diffraction, 1 ligand (GW0), 3 pockets (best druggability 0.83). MolNFT v1 #80031 on GenesisL1: 3D structure, binding sites and…

PDB: 3TKM
Type: protein
Length: 270 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Peroxisome proliferator-activated receptor delta
UniProt: Q03181
Ligands: GW0
Pockets: 3 · best druggability 0.83

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Peroxisome proliferator-activated receptor delta	protein	270	66% helix, 5% strand	Q03181

Ligands and binding sites

GW0 · {4-[({2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl}methyl)sulfanyl]-2-methylphenoxy}acetic acid · ligand · chains A
GOL · Glycerol · additive · 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	506	0.83	0.88	50	GW0
2	89	0.41	0.78	18	empty
3	77	0.34	0.75	14	empty

Compared structures

3TKM · Crystal structure PPAR delta binding GW0742 · 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 Q03181
Elsewhere: RCSB PDB 3TKM · PDBe 3TKM · UniProt Q03181

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