MolNFT v1 · #111773 · protein
F96A mutant of plasmodium falciparum triosephosphate isomerase
4Z0S: “F96A mutant of plasmodium falciparum triosephosphate isomerase”. X-ray diffraction, 5 pockets (best druggability 0.77). MolNFT v1 #111773 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4Z0S
- Type
- protein
- Length
- 488 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
- Pockets
- 5 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Triosephosphate isomerase (EC 5.3.1.1) | protein | 247 | 41% helix, 16% strand | Q07412 |
| B | Triosephosphate isomerase (EC 5.3.1.1) | protein | 241 | 41% helix, 17% strand | Q07412 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 7 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 | 115 | 0.77 | 0.96 | 27 | EDO |
| 2 | 78 | 0.54 | 0.86 | 23 | empty |
| 3 | 107 | 0.42 | 0.77 | 20 | EDO |
| 4 | 63 | 0.41 | 0.80 | 23 | empty |
| 5 | 98 | 0.40 | 0.77 | 21 | EDO |
Interfaces
1 interface between chains.
- A–B · 1669 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 4Z0S · PDBe 4Z0S · UniProt Q07412
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