MolNFT v1 · #14138 · protein
Plasmodium falciparum triosephosphate isomerase- phosphoglycolate complex
1LZO: “Plasmodium falciparum triosephosphate isomerase- phosphoglycolate complex”. X-ray diffraction, 1 ligand (PGA), 10 pockets (best druggability 0.80). MolNFT v1 #14138 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1LZO
- 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
- PGA
- Pockets
- 10 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Triosephosphate isomerase (EC 5.3.1.1) | protein | 246 | 43% helix, 15% strand | Q07412 |
Ligands and binding sites
- PGA · 2-phosphoglycolic acid · ligand · 2 copies · chains B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 935 | 0.80 | 0.83 | 92 | empty |
| 2 | 120 | 0.77 | 0.96 | 27 | empty |
| 3 | 112 | 0.76 | 0.96 | 28 | empty |
| 4 | 115 | 0.57 | 0.85 | 23 | empty |
| 5 | 112 | 0.54 | 0.83 | 23 | empty |
Interfaces
5 interfaces between chains.
- A–B · 1711 Ų buried · 32 hydrogen bonds · protein-protein
- C–D · 1689 Ų buried · 30 hydrogen bonds · protein-protein
- B–C · 451 Ų buried · 3 hydrogen bonds · protein-protein
- B–D · 75 Ų buried · 2 hydrogen bonds · protein-protein
- A–C · 59 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 1LZO · Plasmodium Falciparum Triosephosphate Isomerase-Phosphoglycolate Complex · 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 0.99
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 1LZO · PDBe 1LZO · UniProt Q07412
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