MolNFT v1 · #111631 · protein
F96S/L167V double mutant of plasmodium falciparum triosephosphate isomerase
4YWI: “F96S/L167V double mutant of plasmodium falciparum triosephosphate isomerase”. X-ray diffraction, 1 ligand (SO4), 4 pockets (best druggability 0.77). MolNFT v1 #111631 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4YWI
- Type
- protein
- Length
- 490 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
- 4 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Triosephosphate isomerase (EC 5.3.1.1) | protein | 244 | 45% helix, 16% strand | Q07412 |
| B | Triosephosphate isomerase (EC 5.3.1.1) | protein | 246 | 43% helix, 15% strand | Q07412 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
- 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
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 114 | 0.77 | 0.97 | 27 | EDO |
| 2 | 87 | 0.58 | 0.88 | 24 | empty |
| 3 | 152 | 0.48 | 0.78 | 29 | SO4, EDO |
| 4 | 120 | 0.43 | 0.77 | 24 | SO4 |
Interfaces
1 interface between chains.
- A–B · 1668 Ų buried · 26 hydrogen bonds · protein-protein
Compared structures
- 4YWI · F96S/L167V Double 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 B 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 4YWI · PDBe 4YWI · UniProt Q07412
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.