MolNFT v1 · #161991 · protein
Staphylococcus aureus superoxide dismutase soda double mutant
6QV9: “Staphylococcus aureus superoxide dismutase soda double mutant”. X-ray diffraction, 1 ligand (MN), 2 pockets (best druggability 0.57). MolNFT v1 #161991 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6QV9
- Type
- protein
- Length
- 394 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Superoxide dismutase
- EC
- 1.15.1.1
- UniProt
- W8TT57
- Ligands
- MN
- Pockets
- 2 · best druggability 0.57
Structure
x-ray diffraction · 1 distinct chain · 57% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Superoxide dismutase (EC 1.15.1.1) | protein | 197 | 57% helix, 13% strand | W8TT57 |
Ligands and binding sites
- MN · Manganese (II) 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 175 | 0.57 | 0.81 | 19 | empty |
| 2 | 182 | 0.55 | 0.79 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 949 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 6QV9 · Staphylococcus aureus superoxide dismutase SodA double mutant · 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 W8TT57
- Elsewhere: RCSB PDB 6QV9 · PDBe 6QV9 · UniProt W8TT57
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