MolNFT v1 · #45867 · protein
CYP2C8DH complexed with felodipine
2NNJ · Cytochrome P450 2C8: “CYP2C8DH complexed with felodipine”. X-ray diffraction, 4 ligands (HEM, 225, PLM), 5 pockets (best druggability 0.88). MolNFT v1 #45867 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2NNJ
- Type
- protein
- Length
- 463 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, 225, PLM, SO4
- Pockets
- 5 · best druggability 0.88
Structure
x-ray diffraction · 1 distinct chain · 52% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cytochrome P450 2C8 (EC 1.14.14.1) | protein | 463 | 52% helix, 10% strand | P10632 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · chains A
- 225 · Felodipine · ligand · chains A
- PLM · Palmitic acid · ligand · chains A
- SO4 · Sulfate ion · ion · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1065 | 0.88 | 0.89 | 118 | HEM, 225 |
| 2 | 153 | 0.66 | 0.87 | 19 | PLM |
| 3 | 113 | 0.40 | 0.76 | 20 | empty |
| 4 | 64 | 0.28 | 0.73 | 14 | empty |
| 5 | 54 | 0.28 | 0.74 | 18 | empty |
Compared structures
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 P10632
- Elsewhere: RCSB PDB 2NNJ · PDBe 2NNJ · UniProt P10632
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