MolNFT v1 · #39060 · protein
Crystal structure of human microsomal P450 1A2 in complex with alpha- naphthoflavone
2HI4 · Cytochrome P450 1A2: “Crystal structure of human microsomal P450 1A2 in complex with alpha- naphthoflavone”. X-ray diffraction, 2 ligands (HEM, BHF), 6 pockets (best druggability 0.86). MolNFT v1 #39060 on GenesisL1: 3D structure…
- PDB
- 2HI4
- Type
- protein
- Length
- 480 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytochrome P450 1A2
- EC
- 1.14.14.1
- UniProt
- P05177
- Ligands
- HEM, BHF
- Pockets
- 6 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 51% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cytochrome P450 1A2 (EC 1.14.14.1) | protein | 480 | 51% helix, 10% strand | P05177 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · chains A
- BHF · 2-phenyl-4H-benzo[h]chromen-4-one · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 423 | 0.86 | 0.94 | 60 | HEM, BHF |
| 2 | 129 | 0.50 | 0.79 | 21 | empty |
| 3 | 137 | 0.42 | 0.75 | 24 | empty |
| 4 | 105 | 0.38 | 0.75 | 22 | empty |
| 5 | 65 | 0.29 | 0.74 | 18 | empty |
Compared structures
- 2HI4 · Crystal Structure of Human Microsomal P450 1A2 in complex with alpha-naphthoflavone · the same entry in another collection · chain A against A, TM-score 1.00
- P05177 · AlphaFold monomer V2.0 prediction for cytochrome P450 1A2 (P05177) · a predicted model of the same protein · 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 P05177
- Elsewhere: RCSB PDB 2HI4 · PDBe 2HI4 · UniProt P05177
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