MolNFT v1 · #75526 · protein
Structure of E97D mutant of tim from plasmodium falciparum
3PSV · Triosephosphate isomerase: “Structure of E97D mutant of tim from plasmodium falciparum”. X-ray diffraction, 1 ligand (SO4), 5 pockets (best druggability 0.76). MolNFT v1 #75526 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 3PSV
- Type
- protein
- Length
- 487 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Triosephosphate isomerase
- EC
- 5.3.1.1
- UniProt
- Q07412
- Ligands
- SO4
- Pockets
- 5 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Triosephosphate isomerase (EC 5.3.1.1) | protein | 243 | 44% helix, 17% strand | Q07412 |
| B | Triosephosphate isomerase (EC 5.3.1.1) | protein | 244 | 43% helix, 16% strand | Q07412 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 3 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 99 | 0.76 | 0.97 | 26 | empty |
| 2 | 82 | 0.60 | 0.89 | 23 | empty |
| 3 | 150 | 0.47 | 0.77 | 27 | SO4, EDO |
| 4 | 141 | 0.46 | 0.77 | 21 | SO4, EDO |
| 5 | 54 | 0.28 | 0.74 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 1737 Ų buried · 31 hydrogen bonds · protein-protein
Compared structures
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 Q07412
- Elsewhere: RCSB PDB 3PSV · PDBe 3PSV · UniProt Q07412
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