MolNFT v1 · #56624 · protein
Crystal structure of human cu-zn superoxide dismutase mutant G93A
2ZKY · Superoxide dismutase [cu-zn]: “Crystal structure of human cu-zn superoxide dismutase mutant G93A”. X-ray diffraction, 1 ligand (ZN), 12 pockets (best druggability 0.82). MolNFT v1 #56624 on GenesisL1: 3D structure, binding sites and…
- PDB
- 2ZKY
- Type
- protein
- Length
- 1,528 residues
- Chains
- 10
- 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
- ZN
- Pockets
- 12 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 7% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Superoxide dismutase [cu-zn] (EC 1.15.1.1) | protein | 152 | 8% helix, 41% strand | P00441 |
| C, D, E, F, G, H, I, J | Superoxide dismutase [cu-zn] (EC 1.15.1.1) | protein | 153 | 6% helix, 42% strand | P00441 |
Ligands and binding sites
- ZN · Zinc ion · metal · 10 copies · chains A, B, C, D, E, F, G, H, I, J
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 982 | 0.82 | 0.84 | 107 | empty |
| 2 | 1054 | 0.78 | 0.80 | 104 | empty |
| 3 | 448 | 0.73 | 0.83 | 67 | empty |
| 4 | 768 | 0.71 | 0.77 | 78 | empty |
| 5 | 172 | 0.67 | 0.87 | 30 | empty |
Interfaces
13 interfaces between chains.
- C–D · 732 Ų buried · 4 hydrogen bonds · protein-protein
- A–B · 712 Ų buried · 4 hydrogen bonds · protein-protein
- E–F · 707 Ų buried · 4 hydrogen bonds · protein-protein
- G–H · 703 Ų buried · 4 hydrogen bonds · protein-protein
- I–J · 689 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 disulfide (disulfide).
Compared structures
- 2ZKY · Crystal structure of human Cu-Zn superoxide dismutase 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 2ZKY · PDBe 2ZKY · UniProt P00441
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