Research workbench
Maca wild-type oxidized
Analyse Maca wild-type oxidized in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4AAL
- Type
- protein
- Length
- 639 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytochrome C551 peroxidase
- EC
- 1.11.1.5
- UniProt
- Q74FY6
- Ligands
- HEC, CA, PO4
- Pockets
- 6 · best druggability 0.88
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cytochrome C551 peroxidase (EC 1.11.1.5) | protein | 320 | 40% helix, 8% strand | Q74FY6 |
| B | Cytochrome C551 peroxidase (EC 1.11.1.5) | protein | 319 | 40% helix, 8% strand | Q74FY6 |
Ligands and binding sites
- HEC · Heme C · ligand · 4 copies · chains A, B
- CA · Calcium ion · metal · 2 copies · chains A, B
- PO4 · Phosphate ion · ion · 23 copies · chains A, B
- ACT · Acetate ion · additive · 6 copies · chains A, B
- EOH · Ethanol · additive · chains A, 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 | 860 | 0.88 | 0.91 | 111 | HEC, CA |
| 2 | 1187 | 0.84 | 0.85 | 134 | HEC, PO4 |
| 3 | 108 | 0.50 | 0.81 | 29 | empty |
| 4 | 98 | 0.48 | 0.81 | 24 | empty |
| 5 | 80 | 0.34 | 0.75 | 19 | PO4 |
Interfaces
1 interface between chains.
- A–B · 1484 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 cofactor (heme c attachment).
Compared structures
- 4AAL · MacA wild-type oxidized · 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 Q74FY6
- Elsewhere: RCSB PDB 4AAL · PDBe 4AAL · UniProt Q74FY6
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