MolNFT v1 · #19519 · protein
Optical detection of cytochrome P450 by sensitizer-linked substrates
1QMQ: “Optical detection of cytochrome P450 by sensitizer-linked substrates”. X-ray diffraction, 2 ligands (DRB, HEM), 2 pockets (best druggability 0.84). MolNFT v1 #19519 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1QMQ
- Type
- protein
- Length
- 406 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytochrome P450
- EC
- 1.14.15.1
- UniProt
- P00183
- Ligands
- DRB, HEM
- Pockets
- 2 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 50% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cytochrome P450 (EC 1.14.15.1) | protein | 406 | 50% helix, 11% strand | P00183 |
Ligands and binding sites
- DRB · Delta-bis(2,2'-bipyridine)-(5-methyl-2-2'-bipyridine)-C9-adamantane ruthenium (II) · ligand · 2 copies · chains A
- HEM · Protoporphyrin IX containing Fe · ligand · chains A
- ACT · Acetate ion · additive · 5 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 727 | 0.84 | 0.87 | 69 | HEM, DRB |
| 2 | 66 | 0.33 | 0.76 | 18 | empty |
Compared structures
- 1QMQ · Optical detection of cytochrome P450 by sensitizer-linked substrates · the same entry in another collection · chain A against A, TM-score 1.00
- P00183 · AlphaFold monomer V2.0 prediction for camphor 5-monooxygenase (P00183) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 P00183
- Elsewhere: RCSB PDB 1QMQ · PDBe 1QMQ · UniProt P00183
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