MolNFT v1 · #161990 · protein
Staphylococcus aureus superoxide dismutase sodm double mutant
6QV8: “Staphylococcus aureus superoxide dismutase sodm double mutant”. X-ray diffraction, 1 ligand (MN), 3 pockets (best druggability 0.56). MolNFT v1 #161990 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6QV8
- Type
- protein
- Length
- 396 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Superoxide dismutase
- EC
- 1.15.1.1
- UniProt
- W8UU58
- Ligands
- MN
- Pockets
- 3 · best druggability 0.56
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 | 198 | 57% helix, 13% strand | W8UU58 |
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
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 189 | 0.56 | 0.80 | 19 | empty |
| 2 | 178 | 0.56 | 0.80 | 21 | empty |
| 3 | 52 | 0.26 | 0.73 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 972 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 6QV8 · Staphylococcus aureus superoxide dismutase SodM 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 W8UU58
- Elsewhere: RCSB PDB 6QV8 · PDBe 6QV8 · UniProt W8UU58
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