MolNFT v1 · #86093 · protein
Structure of the mixed-function P450 mycg F286V mutant in complex with mycinamicin V in P1 space group
4AW3 · P-450-like protein: “Structure of the mixed-function P450 mycg F286V mutant in complex with mycinamicin V in P1 space group”. X-ray diffraction, 3 ligands (HEM, MYV, SO4), 7 pockets (best druggability 0.83). MolNFT v1 #86093 on…
- PDB
- 4AW3
- Type
- protein
- Length
- 786 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- P-450-like protein
- UniProt
- Q59523
- Ligands
- HEM, MYV, SO4
- Pockets
- 7 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 50% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | P-450-like protein | protein | 393 | 50% helix, 10% strand | Q59523 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
- MYV · Mycinamicin V · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 8 copies · chains A, B
- GOL · Glycerol · additive · 4 copies · chains A, 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1093 | 0.83 | 0.84 | 88 | HEM, MYV, GOL |
| 2 | 1149 | 0.82 | 0.83 | 84 | HEM, MYV, GOL |
| 3 | 874 | 0.80 | 0.82 | 99 | SO4 |
| 4 | 154 | 0.50 | 0.78 | 23 | empty |
| 5 | 98 | 0.50 | 0.82 | 13 | SO4 |
Interfaces
1 interface between chains.
- A–B · 1086 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 4AW3 · Structure of the mixed-function P450 MycG F286V mutant in complex with mycinamicin V in… · the same entry in another collection · chain B against B, 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 4AW3 · PDBe 4AW3 · UniProt Q59523
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