MolNFT v1 · #32408 · protein
Structure of iron dependent superoxide dismutase from P. falciparum.
2BPI · Fe-superoxide dismutase: “Structure of iron dependent superoxide dismutase from P. falciparum.”. X-ray diffraction, 1 ligand (FE), 4 pockets (best druggability 0.55). MolNFT v1 #32408 on GenesisL1: 3D structure, binding sites and…
- PDB
- 2BPI
- Type
- protein
- Length
- 394 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fe-superoxide dismutase
- EC
- 1.15.1.1
- UniProt
- Q8IAY6
- Ligands
- FE
- Pockets
- 4 · best druggability 0.55
Structure
x-ray diffraction · 1 distinct chain · 53% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Fe-superoxide dismutase (EC 1.15.1.1) | protein | 197 | 53% helix, 12% strand | Q8IAY6 |
Ligands and binding sites
- FE · Fe (III) 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 | 222 | 0.55 | 0.78 | 26 | empty |
| 2 | 190 | 0.53 | 0.78 | 20 | empty |
| 3 | 83 | 0.33 | 0.74 | 24 | empty |
| 4 | 50 | 0.28 | 0.74 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 988 Ų buried · 21 hydrogen bonds · protein-protein
Compared structures
- 2BPI · Structure of Iron dependent superoxide dismutase from P. falciparum. · the same entry in another collection · chain A against A, TM-score 1.00
- Q8IAY6 · AlphaFold monomer V2.0 prediction for superoxide dismutase [fe] (Q8IAY6) · a predicted model of the same protein · 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 Q8IAY6
- Elsewhere: RCSB PDB 2BPI · PDBe 2BPI · UniProt Q8IAY6
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