MolNFT v1 · #111930 · protein
Crystal structure of the lnma cytochrome P450 hydroxylase from the leinamycin biosynthetic pathway of streptomyces atroolivaceus S-140 at 1.9 a resolution
4Z5P: “Crystal structure of the lnma cytochrome P450 hydroxylase from the leinamycin biosynthetic pathway of…”. X-ray diffraction, 1 ligand (HEM), 6 pockets (best druggability 0.82). MolNFT v1 #111930 on GenesisL1: 3D structure, binding…
- PDB
- 4Z5P
- Type
- protein
- Length
- 776 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytochrome P450 hydroxylase
- UniProt
- Q8GGQ1
- Ligands
- HEM
- Pockets
- 6 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 51% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Cytochrome P450 hydroxylase | protein | 388 | 51% helix, 10% strand | Q8GGQ1 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
- PGE · Triethylene glycol · additive · chains 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 | 938 | 0.82 | 0.83 | 75 | HEM |
| 2 | 1077 | 0.81 | 0.82 | 93 | HEM |
| 3 | 1067 | 0.72 | 0.75 | 79 | empty |
| 4 | 97 | 0.47 | 0.81 | 23 | empty |
| 5 | 73 | 0.43 | 0.81 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 431 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 4Z5P · Crystal structure of the LnmA cytochrome P450 hydroxylase from the leinamycin… · 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 Q8GGQ1
- Elsewhere: RCSB PDB 4Z5P · PDBe 4Z5P · UniProt Q8GGQ1
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