MolNFT v1 · #26414 · protein
Structure of the LOOP6 hinge mutant of plasmodium falciparum triosephosphate isomerase, W168F, complexed with glycerol-2-phosphate
1WOA: “Structure of the LOOP6 hinge mutant of plasmodium falciparum triosephosphate isomerase, W168F, complexed with…”. X-ray diffraction, 1 ligand (G2H), 7 pockets (best druggability 0.77). MolNFT v1 #26414 on GenesisL1: 3D structure…
- PDB
- 1WOA
- Type
- protein
- Length
- 984 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Triosephosphate isomerase
- EC
- 5.3.1.1
- UniProt
- Q07412
- Ligands
- G2H
- Pockets
- 7 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Triosephosphate isomerase (EC 5.3.1.1) | protein | 246 | 42% helix, 17% strand | Q07412 |
Ligands and binding sites
- G2H · 2-hydroxy-1-(hydroxymethyl)ethyl dihydrogen phosphate · ligand · 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 253 | 0.77 | 0.90 | 43 | empty |
| 2 | 240 | 0.76 | 0.90 | 41 | empty |
| 3 | 911 | 0.76 | 0.79 | 78 | empty |
| 4 | 86 | 0.46 | 0.81 | 19 | G2H |
| 5 | 84 | 0.44 | 0.80 | 19 | G2H |
Interfaces
4 interfaces between chains.
- A–B · 1747 Ų buried · 31 hydrogen bonds · protein-protein
- C–D · 1742 Ų buried · 31 hydrogen bonds · protein-protein
- A–C · 456 Ų buried · 5 hydrogen bonds · protein-protein
- A–D · 49 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 1WOA · Structure of the loop6 hinge mutant of Plasmodium falciparum Triosephosphate Isomerase… · the same entry in another collection · chain A against A, TM-score 1.00
- Q07412 · AlphaFold monomer V2.0 prediction for triosephosphate isomerase (Q07412) · 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 Q07412
- Elsewhere: RCSB PDB 1WOA · PDBe 1WOA · UniProt Q07412
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