MolNFT v1 · #84699 · protein
Structure of the mixed-function P450 mycg F286A mutant in complex with mycinamicin IV
3ZSN · P-450-like protein: “Structure of the mixed-function P450 mycg F286A mutant in complex with mycinamicin IV”. X-ray diffraction, 3 ligands (BEN, HEM, MIV), 7 pockets (best druggability 0.83). MolNFT v1 #84699 on GenesisL1: 3D…
- PDB
- 3ZSN
- Type
- protein
- Length
- 1,179 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- P-450-like protein
- UniProt
- Q59523
- Ligands
- BEN, HEM, MIV
- Pockets
- 7 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 52% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | P-450-like protein | protein | 393 | 52% helix, 10% strand | Q59523 |
Ligands and binding sites
- BEN · Benzamidine · ligand · 4 copies · chains A, B, C
- HEM · Protoporphyrin IX containing Fe · ligand · 3 copies · chains A, B, C
- MIV · Mycinamicin IV · ligand · 3 copies · chains A, B, C
- GOL · Glycerol · additive · 7 copies · chains A, C, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1103 | 0.83 | 0.84 | 85 | HEM, MIV |
| 2 | 1100 | 0.83 | 0.84 | 83 | HEM, MIV |
| 3 | 1149 | 0.83 | 0.84 | 83 | HEM, MIV |
| 4 | 1050 | 0.81 | 0.83 | 92 | empty |
| 5 | 326 | 0.59 | 0.77 | 41 | empty |
Interfaces
2 interfaces between chains.
- A–C · 657 Ų buried · 5 hydrogen bonds · protein-protein
- A–B · 384 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 3ZSN · Structure of the mixed-function P450 MycG F286A mutant in complex with mycinamicin IV · the same entry in another collection · chain A against A, TM-score 1.00
- Q59523 · AlphaFold monomer V2.0 prediction for mycinamicin IV HYDROXYLASE/EPOXIDASE (Q59523) · a predicted model of the same protein · chain A against A, TM-score 0.95
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 Q59523
- Elsewhere: RCSB PDB 3ZSN · PDBe 3ZSN · UniProt Q59523
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