MolNFT v1 · #53506 · protein
Yersinia pseudotuberculosis superoxide dismutase C with bound azide
2WWN · Superoxide dismutase [cu-zn]: “Yersinia pseudotuberculosis superoxide dismutase C with bound azide”. X-ray diffraction, 2 ligands (ZN, AZI), 2 pockets (best druggability 0.29). MolNFT v1 #53506 on GenesisL1: 3D structure, binding…
- PDB
- 2WWN
- Type
- protein
- Length
- 314 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
- Q66ED7
- Ligands
- ZN, AZI
- Pockets
- 2 · best druggability 0.29
Structure
x-ray diffraction · 2 distinct chains · 6% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Superoxide dismutase [cu-zn] (EC 1.15.1.1) | protein | 158 | 6% helix, 41% strand | Q66ED7 |
| B | Superoxide dismutase [cu-zn] (EC 1.15.1.1) | protein | 156 | 6% helix, 40% strand | Q66ED7 |
Ligands and binding sites
- ZN · Zinc ion · metal · 7 copies · chains A, B
- AZI · Azide ion · ion · 2 copies · chains B
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 54 | 0.29 | 0.75 | 14 | empty |
| 2 | 57 | 0.24 | 0.71 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 834 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 2WWN · Yersinia pseudotuberculosis Superoxide Dismutase C with bound Azide · 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 Q66ED7
- Elsewhere: RCSB PDB 2WWN · PDBe 2WWN · UniProt Q66ED7
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.