MolNFT v1 · #52112 · protein
Crystal structure of G85R als mutant of human CU,ZN superoxide dismutase (cuznsod) at 1.36 a resolution
2VR8 · Superoxide dismutase [cu-zn]: “Crystal structure of G85R als mutant of human CU,ZN superoxide dismutase (cuznsod) at 1.36 a resolution”. X-ray diffraction, 5 ligands (ACE, ZN, CU), 2 pockets (best druggability 0.61). MolNFT v1…
- PDB
- 2VR8
- 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, ZN, CU, SCN, SO4
- Pockets
- 2 · best druggability 0.61
Structure
x-ray diffraction · 1 distinct chain · 6% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, F | Superoxide dismutase [cu-zn] (EC 1.15.1.1) | protein | 153 | 6% helix, 39% strand | P00441 |
Ligands and binding sites
- ACE · Acetyl group · ligand · 2 copies · chains A, F
- ZN · Zinc ion · metal · 6 copies · chains A, F
- CU · Copper (II) ion · metal · 2 copies · chains A, F
- SCN · Thiocyanate ion · ion · 4 copies · chains A, F
- SO4 · Sulfate ion · ion · 2 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 | 207 | 0.61 | 0.82 | 32 | empty |
| 2 | 82 | 0.32 | 0.74 | 16 | empty |
Interfaces
1 interface between chains.
- A–F · 692 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent, 2 disulfide, 2 modified (covalent ligand, disulfide, oxidation).
Compared structures
- 2VR8 · Crystal Structure of G85R ALS mutant of Human Cu,Zn Superoxide Dismutase (CuZnSOD) at… · 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 2VR8 · PDBe 2VR8 · UniProt P00441
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