Research workbench
Crystal structure of soda-2 (BA5696) from bacillus anthracis at 1.8A resolution.
Analyse Crystal structure of soda-2 (BA5696) from bacillus anthracis at 1.8A resolution. in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1XRE
- Type
- protein
- Length
- 402 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Superoxide dismutase
- EC
- 1.15.1.1
- UniProt
- Q81JK8
- Ligands
- MN
- Pockets
- 4 · best druggability 0.53
Structure
x-ray diffraction · 1 distinct chain · 55% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Superoxide dismutase (EC 1.15.1.1) | protein | 201 | 55% helix, 12% strand | Q81JK8 |
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
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 177 | 0.53 | 0.79 | 20 | empty |
| 2 | 177 | 0.53 | 0.79 | 21 | empty |
| 3 | 84 | 0.33 | 0.74 | 14 | empty |
| 4 | 73 | 0.31 | 0.73 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 922 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 1XRE · Crystal Structure of SodA-2 (BA5696) from Bacillus anthracis at 1.8A Resolution. · the same entry in another collection · chain A against A, TM-score 1.00
- Q81JK8 · AlphaFold monomer V2.0 prediction for superoxide dismutase [mn] 2 (Q81JK8) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q81JK8
- Elsewhere: RCSB PDB 1XRE · PDBe 1XRE · UniProt Q81JK8
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