MolNFT v1 · #14390 · protein
Plasmodium falciparum triosephosphate isomerase (pftim) compled to substrate analog glycerol-3-phosphate (G3P).
1M7P: “Plasmodium falciparum triosephosphate isomerase (pftim) compled to substrate analog glycerol-3-phosphate…”. X-ray diffraction, 1 ligand (G3H), 4 pockets (best druggability 0.76). MolNFT v1 #14390 on GenesisL1: 3D structure, binding…
- PDB
- 1M7P
- 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
- G3H
- Pockets
- 4 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Triosephosphate isomerase (EC 5.3.1.1) | protein | 246 | 43% helix, 15% strand | Q07412 |
Ligands and binding sites
- G3H · Glyceraldehyde-3-phosphate · ligand · 2 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 | 103 | 0.76 | 0.97 | 26 | empty |
| 2 | 73 | 0.53 | 0.86 | 23 | empty |
| 3 | 94 | 0.43 | 0.78 | 19 | G3H |
| 4 | 80 | 0.42 | 0.80 | 19 | G3H |
Interfaces
1 interface between chains.
- A–B · 1778 Ų buried · 30 hydrogen bonds · protein-protein
Compared structures
- 1M7P · Plasmodium Falciparum Triosephosphate isomerase (PfTIM) compled to substrate analog… · 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 1M7P · PDBe 1M7P · UniProt Q07412
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