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CYP2C8DH complexed with troglitazone

Analyse CYP2C8DH complexed with troglitazone in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2VN0
Type
protein
Length
464 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cytochrome P450 2C8
EC
1.14.14.1
UniProt
P10632
Ligands
HEM, TDZ, PLM
Pockets
3 · best druggability 0.87

Structure

x-ray diffraction · 1 distinct chain · 53% helix, 10% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACytochrome P450 2C8 (EC 1.14.14.1)protein46453% helix, 10% strandP10632

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · ligand · chains A
  • TDZ · (5R)-5-(4-{[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-2-yl]methoxy}benzyl)-1,3-thiazolidine-2,4-dione · ligand · chains A
  • PLM · Palmitic acid · ligand · 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, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110780.870.88111HEM, TDZ
21120.650.8816PLM
3800.350.7617empty

Compared structures

  • 2VN0 · CYP2C8DH complexed with troglitazone · the same entry in another collection · chain A against A, TM-score 1.00
  • P10632 · AlphaFold monomer V2.0 prediction for cytochrome P450 2C8 (P10632) · a predicted model of the same protein · chain A against A, TM-score 0.98

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