MolNFT v1 · #18804 · protein
Atomic resolution (1.15 ) crystal structure of bovine copper, zinc superoxide dismutase
1Q0E · Superoxide dismutase [cu-zn]: “Atomic resolution (1.15 ) crystal structure of bovine copper, zinc superoxide dismutase”. X-ray diffraction, 3 ligands (ACE, CU, ZN), 2 pockets (best druggability 0.66). MolNFT v1 #18804 on GenesisL1…
- PDB
- 1Q0E
- Type
- protein
- Length
- 302 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
- P00442
- Ligands
- ACE, CU, ZN
- Pockets
- 2 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 5% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Superoxide dismutase [cu-zn] (EC 1.15.1.1) | protein | 151 | 5% helix, 42% strand | P00442 |
Ligands and binding sites
- ACE · Acetyl group · ligand · chains B
- CU · Copper (II) ion · metal · 2 copies · chains A, B
- ZN · Zinc ion · metal · 2 copies · chains A, B
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 | 171 | 0.66 | 0.86 | 34 | empty |
| 2 | 122 | 0.37 | 0.73 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 732 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 1Q0E · Atomic resolution (1.15 ) crystal structure of bovine copper, zinc superoxide dismutase · the same entry in another collection · chain A against A, TM-score 1.00
- P00442 · AlphaFold monomer V2.0 prediction for superoxide dismutase [cu-zn] (P00442) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P00442
- Elsewhere: RCSB PDB 1Q0E · PDBe 1Q0E · UniProt P00442
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