Research workbench
Crystal structure of cytochrome P450 CYP101C1
Analyse Crystal structure of cytochrome P450 CYP101C1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3OFU
- Type
- protein
- Length
- 2,362 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytochrome P450
- UniProt
- Q2G637
- Ligands
- HEM, ID3
- Pockets
- 16 · best druggability 0.84
Structure
x-ray diffraction · 3 distinct chains · 51% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Cytochrome P450 | protein | 396 | 51% helix, 12% strand | Q2G637 |
| D | Cytochrome P450 | protein | 394 | 51% helix, 13% strand | Q2G637 |
| E, F | Cytochrome P450 | protein | 390 | 51% helix, 12% strand | Q2G637 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 6 copies · chains A, B, C, D, E, F
- ID3 · (3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one · ligand · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 841 | 0.84 | 0.86 | 83 | HEM, ID3 |
| 2 | 807 | 0.84 | 0.86 | 77 | HEM, ID3 |
| 3 | 773 | 0.84 | 0.86 | 75 | HEM |
| 4 | 1156 | 0.83 | 0.84 | 122 | HEM, ID3 |
| 5 | 1186 | 0.83 | 0.84 | 118 | HEM |
Interfaces
10 interfaces between chains.
- A–F · 969 Ų buried · 10 hydrogen bonds · protein-protein
- B–D · 573 Ų buried · 5 hydrogen bonds · protein-protein
- A–B · 562 Ų buried · 7 hydrogen bonds · protein-protein
- C–E · 497 Ų buried · 6 hydrogen bonds · protein-protein
- B–F · 338 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 3OFU · Crystal Structure of Cytochrome P450 CYP101C1 · the same entry in another collection · 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 Q2G637
- Elsewhere: RCSB PDB 3OFU · PDBe 3OFU · UniProt Q2G637
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.