Research workbench
S123C mutant of the iron-superoxide dismutase from mycobacterium tuberculosis.
Analyse S123C mutant of the iron-superoxide dismutase from mycobacterium tuberculosis. in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1GN2
- Type
- protein
- Length
- 1,584 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Superoxide dismutase
- EC
- 1.15.1.1
- UniProt
- P17670
- Ligands
- FE
- Pockets
- 18 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 56% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H | Superoxide dismutase (EC 1.15.1.1) | protein | 198 | 56% helix, 14% strand | P17670 |
Ligands and binding sites
- FE · Fe (III) ion · metal · 8 copies · chains A, B, C, D, E, F, G, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
18 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 341 | 0.85 | 0.94 | 40 | empty |
| 2 | 345 | 0.85 | 0.94 | 40 | empty |
| 3 | 772 | 0.74 | 0.79 | 79 | empty |
| 4 | 808 | 0.74 | 0.78 | 84 | empty |
| 5 | 771 | 0.74 | 0.79 | 81 | empty |
Interfaces
15 interfaces between chains.
- E–G · 2222 Ų buried · 18 hydrogen bonds · protein-protein
- A–C · 2220 Ų buried · 19 hydrogen bonds · protein-protein
- B–D · 2213 Ų buried · 16 hydrogen bonds · protein-protein
- F–H · 2207 Ų buried · 17 hydrogen bonds · protein-protein
- A–B · 1039 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 1GN2 · S123C mutant of the iron-superoxide dismutase from Mycobacterium tuberculosis. · 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 P17670
- Elsewhere: RCSB PDB 1GN2 · PDBe 1GN2 · UniProt P17670
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