MolNFT v1 · #53104 · protein
Structure of metal loaded pathogenic SOD1 mutant G93A.
2WKO · Superoxide dismutase [cu-zn]: “Structure of metal loaded pathogenic SOD1 mutant G93A.”. X-ray diffraction, 4 ligands (ACE, CU, ZN), 2 pockets (best druggability 0.62). MolNFT v1 #53104 on GenesisL1: 3D structure, binding sites and…
- PDB
- 2WKO
- Type
- protein
- Length
- 306 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Superoxide dismutase [cu-zn]
- EC
- 1.15.1.1
- UniProt
- P00441
- Ligands
- ACE, CU, ZN, IOD
- Pockets
- 2 · best druggability 0.62
Structure
x-ray diffraction · 1 distinct chain · 7% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, F | Superoxide dismutase [cu-zn] (EC 1.15.1.1) | protein | 153 | 7% helix, 41% strand | P00441 |
Ligands and binding sites
- ACE · Acetyl group · ligand · 2 copies · chains A, F
- CU · Copper (II) ion · metal · 2 copies · chains A, F
- ZN · Zinc ion · metal · 2 copies · chains A, F
- IOD · Iodide ion · ion · 3 copies · chains A, F
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 | 181 | 0.62 | 0.83 | 27 | empty |
| 2 | 63 | 0.29 | 0.74 | 16 | empty |
Interfaces
1 interface between chains.
- A–F · 709 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent, 2 disulfide, 1 modified (covalent ligand, disulfide, oxidation).
Compared structures
- 2WKO · Structure of metal loaded Pathogenic SOD1 Mutant G93A. · 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 P00441
- Elsewhere: RCSB PDB 2WKO · PDBe 2WKO · UniProt P00441
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