Research workbench
Monohydrogen phosphate binding to trypanosomal triosephosphate isomerase
Analyse Monohydrogen phosphate binding to trypanosomal triosephosphate isomerase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1AG1
- Type
- protein
- Length
- 498 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Triosephosphate isomerase
- EC
- 5.3.1.1
- UniProt
- P04789
- Ligands
- PO4
- Pockets
- 4 · best druggability 0.42
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| O, T | Triosephosphate isomerase (EC 5.3.1.1) | protein | 249 | 45% helix, 17% strand | P04789 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · chains T
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 130 | 0.42 | 0.76 | 31 | empty |
| 2 | 59 | 0.38 | 0.80 | 19 | PO4 |
| 3 | 77 | 0.33 | 0.74 | 17 | empty |
| 4 | 70 | 0.32 | 0.75 | 16 | empty |
Interfaces
1 interface between chains.
- O–T · 1572 Ų buried · 26 hydrogen bonds · protein-protein
Compared structures
- 1AG1 · Monohydrogen phosphate binding to trypanosomal triosephosphate isomerase · the same entry in another collection · chain O against O, TM-score 1.00
- 4TIM · Crystallographic and molecular modeling studies on trypanosomal triosephosphate… · a predicted model of the same protein · chain O against A, TM-score 1.00
- 4TIM · Crystallographic and molecular modeling studies on trypanosomal triosephosphate… · a predicted model of the same protein · chain O against A, TM-score 1.00
- P04789 · AlphaFold monomer V2.0 prediction for triosephosphate isomerase, glycosomal (P04789) · a predicted model of the same protein · chain O against A, TM-score 0.98
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 P04789
- Elsewhere: RCSB PDB 1AG1 · PDBe 1AG1 · UniProt P04789
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