Research workbench
A4V mutant of human SOD1 bound with benzyl benzoisoselenazolone derivative 5 in P21 space group
Analyse A4V mutant of human SOD1 bound with benzyl benzoisoselenazolone derivative 5 in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6Z4J
- Type
- protein
- Length
- 306 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.55
- Source
- Homo sapiens
- Molecule
- Superoxide dismutase [Cu-Zn]
- EC
- 1.15.1.1
- UniProt
- P00441
- Ligands
- Q7W, ZN, CL
- Pockets
- 2 · best druggability 0.61
Structure
x-ray diffraction · resolution 1.55 · 1 distinct chain · 6% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| AAA, BBB | Superoxide dismutase [Cu-Zn] (EC 1.15.1.1) | protein | 153 | 6% helix, 41% strand | P00441 |
Ligands and binding sites
- Q7W · ~{N}-[(3-chlorophenyl)methyl]-2-selanyl-benzamide · ligand · 2 copies · chains AAA, BBB
- ZN · Zinc ion · metal · 4 copies · chains AAA, BBB
- CL · Chloride ion · ion · 2 copies · chains AAA, BBB
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 212 | 0.61 | 0.82 | 33 | empty |
| 2 | 76 | 0.28 | 0.72 | 25 | Q7W |
Interfaces
1 interface between chains.
- AAA–BBB · 704 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent, 2 disulfide (covalent ligand, disulfide).
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 P00441
- Elsewhere: RCSB PDB 6Z4J · PDBe 6Z4J · UniProt P00441
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