MolNFT v1 · #10008 · protein
X-ray structure analysis of the iron-dependent superoxide dismutase from mycobacterium tuberculosis at 2.0 ångströms resolutions reveals novel dimer-dimer interactions
1IDS · Iron superoxide dismutase: “X-ray structure analysis of the iron-dependent superoxide dismutase from mycobacterium tuberculosis at 2.0…”. X-ray diffraction, 1 ligand (FE), 7 pockets (best druggability 0.85). MolNFT v1 #10008 on…
- PDB
- 1IDS
- Type
- protein
- Length
- 792 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Iron superoxide dismutase
- EC
- 1.15.1.1
- UniProt
- P17670
- Ligands
- FE
- Pockets
- 7 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 55% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Iron superoxide dismutase (EC 1.15.1.1) | protein | 198 | 55% helix, 14% strand | P17670 |
Ligands and binding sites
- FE · Fe (III) ion · metal · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 355 | 0.85 | 0.94 | 45 | empty |
| 2 | 438 | 0.64 | 0.77 | 52 | empty |
| 3 | 394 | 0.63 | 0.78 | 52 | empty |
| 4 | 322 | 0.60 | 0.78 | 38 | empty |
| 5 | 277 | 0.59 | 0.78 | 38 | empty |
Interfaces
6 interfaces between chains.
- B–D · 2256 Ų buried · 21 hydrogen bonds · protein-protein
- A–C · 2218 Ų buried · 19 hydrogen bonds · protein-protein
- A–B · 1007 Ų buried · 14 hydrogen bonds · protein-protein
- C–D · 1006 Ų buried · 16 hydrogen bonds · protein-protein
- B–C · 209 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 1IDS · X-ray structure analysis of the iron-dependent superoxide dismutase from mycobacterium… · 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 1IDS · PDBe 1IDS · UniProt P17670
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