MolNFT v1 · #6182 · protein
Thermophilic P450: CYP119 from sulfolobus solfactaricus with 4- phenylimidazole bound
1F4T · Cytochrome P450 119: “Thermophilic P450: CYP119 from sulfolobus solfactaricus with 4- phenylimidazole bound”. X-ray diffraction, 4 ligands (HEM, PIM, ZN), 10 pockets (best druggability 0.87). MolNFT v1 #6182 on GenesisL1: 3D…
- PDB
- 1F4T
- Type
- protein
- Length
- 734 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytochrome P450 119
- EC
- 1.14.14.-
- UniProt
- Q55080
- Ligands
- HEM, PIM, ZN, SO4
- Pockets
- 10 · best druggability 0.87
Structure
x-ray diffraction · 1 distinct chain · 50% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Cytochrome P450 119 (EC 1.14.14.-) | protein | 367 | 50% helix, 13% strand | Q55080 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
- PIM · 4-phenyl-1H-imidazole · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · chains A, B
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 549 | 0.87 | 0.92 | 62 | HEM, PIM |
| 2 | 509 | 0.86 | 0.92 | 51 | HEM, PIM |
| 3 | 400 | 0.60 | 0.76 | 43 | empty |
| 4 | 238 | 0.56 | 0.78 | 28 | empty |
| 5 | 170 | 0.51 | 0.78 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 208 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 1F4T · Thermophilic P450: CYP119 from sulfolobus solfactaricus with 4-phenylimidazole bound · 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 A against A, TM-score 0.98
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 1F4T · PDBe 1F4T · UniProt Q55080
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