Research workbench
Structure of C126A mutant of plasmodium falciparum triosephosphate isomerase
Analyse Structure of C126A mutant of plasmodium falciparum triosephosphate isomerase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3PWA
- Type
- protein
- Length
- 492 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 0.79
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Triosephosphate isomerase (EC 5.3.1.1) | protein | 246 | 43% helix, 16% strand | Q07412 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · chains B
- ACT · Acetate ion · additive · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 212 | 0.79 | 0.93 | 40 | empty |
| 2 | 90 | 0.41 | 0.78 | 22 | SO4 |
| 3 | 71 | 0.40 | 0.79 | 18 | EDO, ACT |
| 4 | 59 | 0.28 | 0.74 | 17 | empty |
| 5 | 56 | 0.26 | 0.73 | 20 | ACT |
Interfaces
1 interface between chains.
- A–B · 1705 Ų buried · 25 hydrogen bonds · protein-protein
Compared structures
- 3PWA · Structure of C126A 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 3PWA · PDBe 3PWA · UniProt Q07412
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.