MolNFT v1 · #10336 · protein
Thermophilic cytochrome P450 (CYP119) from sulfolobus solfataricus: high resolution structural origin of its thermostability and functional properties
1IO8 · Cytochrome P450 CYP119: “Thermophilic cytochrome P450 (CYP119) from sulfolobus solfataricus: high resolution structural origin of its…”. X-ray diffraction, 1 ligand (HEM), 8 pockets (best druggability 0.82). MolNFT v1 #10336 on…
- PDB
- 1IO8
- Type
- protein
- Length
- 725 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytochrome P450 CYP119
- EC
- 1.14.14.-
- UniProt
- Q55080
- Ligands
- HEM
- Pockets
- 8 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 50% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cytochrome P450 CYP119 (EC 1.14.14.-) | protein | 366 | 51% helix, 12% strand | Q55080 |
| B | Cytochrome P450 CYP119 (EC 1.14.14.-) | protein | 359 | 50% helix, 13% strand | Q55080 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 683 | 0.82 | 0.86 | 72 | HEM |
| 2 | 762 | 0.82 | 0.85 | 63 | HEM |
| 3 | 643 | 0.68 | 0.76 | 50 | empty |
| 4 | 231 | 0.58 | 0.79 | 21 | empty |
| 5 | 204 | 0.53 | 0.78 | 28 | empty |
Interfaces
1 interface between chains.
- A–B · 296 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 1IO8 · Thermophilic cytochrome P450 (CYP119) from sulfolobus solfataricus: High resolution… · the same entry in another collection · chain A against A, TM-score 1.00
- Q55080 · AlphaFold monomer V2.0 prediction for cytochrome P450 119 (Q55080) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 Q55080
- Elsewhere: RCSB PDB 1IO8 · PDBe 1IO8 · UniProt Q55080
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