MolNFT v1 · #29438 · protein
Ferrous dioxygen complex of the wild-type cytochrome P450ERYF
1Z8O · 6-deoxyerythronolide B hydroxylase: “Ferrous dioxygen complex of the wild-type cytochrome P450ERYF”. X-ray diffraction, 3 ligands (HEM, DEB, OXY), 3 pockets (best druggability 0.87). MolNFT v1 #29438 on GenesisL1: 3D structure…
- PDB
- 1Z8O
- Type
- protein
- Length
- 402 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 6-deoxyerythronolide B hydroxylase
- EC
- 1.-.-.-
- UniProt
- Q00441
- Ligands
- HEM, DEB, OXY
- Pockets
- 3 · best druggability 0.87
Structure
x-ray diffraction · 1 distinct chain · 51% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 6-deoxyerythronolide B hydroxylase (EC 1.-.-.-) | protein | 402 | 51% helix, 10% strand | Q00441 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · chains A
- DEB · 6-deoxyerythronolide B · ligand · chains A
- OXY · Oxygen molecule · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 812 | 0.87 | 0.90 | 64 | HEM, OXY, DEB |
| 2 | 120 | 0.42 | 0.76 | 17 | empty |
| 3 | 63 | 0.35 | 0.77 | 14 | empty |
Compared structures
- 1Z8O · Ferrous dioxygen complex of the wild-type cytochrome P450eryF · the same entry in another collection · chain A against A, TM-score 1.00
- Q00441 · AlphaFold monomer V2.0 prediction for 6-deoxyerythronolide B hydroxylase (Q00441) · a predicted model of the same protein · 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 Q00441
- Elsewhere: RCSB PDB 1Z8O · PDBe 1Z8O · UniProt Q00441
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