MolNFT v1 · #51195 · protein
Atomic resolution crystal structure of human superoxide dismutase
2V0A: “Atomic resolution crystal structure of human superoxide dismutase”. X-ray diffraction, 3 ligands (CU, ZN, SO4), 2 pockets (best druggability 0.59). MolNFT v1 #51195 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2V0A
- Type
- protein
- Length
- 306 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Superoxide dismutase
- EC
- 1.15.1.1
- UniProt
- P00441
- Ligands
- CU, ZN, SO4
- Pockets
- 2 · best druggability 0.59
Structure
x-ray diffraction · 1 distinct chain · 7% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, F | Superoxide dismutase (EC 1.15.1.1) | protein | 153 | 7% helix, 40% strand | P00441 |
Ligands and binding sites
- CU · Copper (II) ion · metal · 2 copies · chains A, F
- ZN · Zinc ion · metal · 2 copies · chains A, F
- SO4 · Sulfate ion · ion · 3 copies · chains A, F
- ACT · Acetate ion · additive · chains 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 | 0.59 | 0.82 | 26 | empty |
| 2 | 105 | 0.36 | 0.74 | 20 | empty |
Interfaces
1 interface between chains.
- A–F · 703 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 2V0A · Atomic resolution crystal structure of Human Superoxide Dismutase · 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 2V0A · PDBe 2V0A · UniProt P00441
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