MolNFT v1 · #11973 · protein
Cytochrome P450CAM with bound BIS(2,2'-bipyridine)-(5-methyl-2-2'- bipyridine)-C2-adamantane ruthenium (II)
1K2O: “Cytochrome P450CAM with bound BIS(2,2'-bipyridine)-(5-methyl-2-2'- bipyridine)-C2-adamantane ruthenium (II)”. X-ray diffraction, 3 ligands (HEM, RFA, RFB), 6 pockets (best druggability 0.85). MolNFT v1 #11973 on GenesisL1: 3D…
- PDB
- 1K2O
- Type
- protein
- Length
- 812 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytochrome P450CAM
- EC
- 1.14.15.1
- UniProt
- P00183
- Ligands
- HEM, RFA, RFB
- Pockets
- 6 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 52% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Cytochrome P450CAM (EC 1.14.15.1) | protein | 406 | 52% helix, 11% strand | P00183 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
- RFA · Delta-bis(2,2'-bipyridine)-(5-methyl-2-2'-bipyridine)-C2-adamantane ruthenium (II) · ligand · 2 copies · chains A, B
- RFB · Lambda-bis(2,2'-bipyridine)-(5-methyl-2-2'-bipyridine)-C2-adamantane ruthenium (II) · ligand · 2 copies · chains A, B
- CAC · Cacodylate ion · additive · 5 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1075 | 0.85 | 0.86 | 112 | HEM, RFA, RFB |
| 2 | 765 | 0.84 | 0.87 | 75 | HEM, RFA, RFB |
| 3 | 299 | 0.56 | 0.76 | 35 | empty |
| 4 | 85 | 0.35 | 0.75 | 13 | empty |
| 5 | 87 | 0.34 | 0.74 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 890 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 1K2O · Cytochrome P450Cam with Bound BIS(2,2'-BIPYRIDINE)-(5-METHYL-2-2'-BIPYRIDINE)-C2-ADAMANTAN… · 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 B against A, TM-score 0.95
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 1K2O · PDBe 1K2O · UniProt P00183
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