MolNFT v1 · #53582 · protein
L38V SOD1 mutant complexed with aniline.
2WZ0 · Superoxide dismutase [cu-zn]: “L38V SOD1 mutant complexed with aniline.”. X-ray diffraction, 5 ligands (ZZT, DSN, ZN), 2 pockets (best druggability 0.62). MolNFT v1 #53582 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 2WZ0
- 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
- ZZT, DSN, ZN, CU, SO4
- 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
- ZZT · 2-methoxy-5-methylaniline · ligand · 2 copies · chains A, F
- DSN · D-serine · ligand · chains F
- ZN · Zinc ion · metal · 3 copies · chains A, F
- CU · Copper (II) ion · metal · 2 copies · chains A, F
- SO4 · Sulfate ion · ion · 2 copies · chains A, F
- DMS · Dimethyl sulfoxide · 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 | 189 | 0.62 | 0.83 | 29 | empty |
| 2 | 90 | 0.31 | 0.72 | 17 | empty |
Interfaces
1 interface between chains.
- A–F · 713 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
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 2WZ0 · PDBe 2WZ0 · UniProt P00441
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