MolNFT v1 · #51708 · protein
Crystal structure of the plasmodium falciparum triosephosphate isomerase in the loop closed state with 3- phosphoglycerate bound at the active site and interface
2VFI: “Crystal structure of the plasmodium falciparum triosephosphate isomerase in the loop closed state with 3…”. X-ray diffraction, 1 ligand (3PG), 5 pockets (best druggability 0.75). MolNFT v1 #51708 on GenesisL1: 3D structure, binding…
- PDB
- 2VFI
- 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
- 3PG
- Pockets
- 5 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Triosephosphate isomerase (EC 5.3.1.1) | protein | 246 | 43% helix, 17% strand | Q07412 |
Ligands and binding sites
- 3PG · 3-phosphoglyceric acid · ligand · 4 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, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 110 | 0.75 | 0.96 | 26 | empty |
| 2 | 93 | 0.61 | 0.88 | 22 | 3PG |
| 3 | 58 | 0.51 | 0.87 | 20 | 3PG |
| 4 | 82 | 0.50 | 0.84 | 27 | 3PG |
| 5 | 51 | 0.26 | 0.74 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1774 Ų buried · 33 hydrogen bonds · protein-protein
Compared structures
- 2VFI · Crystal structure of the Plasmodium falciparum triosephosphate isomerase in the loop… · 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 2VFI · PDBe 2VFI · UniProt Q07412
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.