MolNFT v1 · #9347 · protein
Crystal structure of recombinant human triosephosphate isomerase at 2.8 ångströms resolution. triosephosphate isomerase related human genetic disorders and comparison with the trypanosomal enzyme
1HTI: “Crystal structure of recombinant human triosephosphate isomerase at 2.8 ångströms resolution. triosephosphate…”. X-ray diffraction, 1 ligand (PGA), 3 pockets (best druggability 0.62). MolNFT v1 #9347 on GenesisL1: 3D structure…
- PDB
- 1HTI
- Type
- protein
- Length
- 496 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Triosephosphate isomerase
- EC
- 5.3.1.1
- UniProt
- P60174
- Ligands
- PGA
- Pockets
- 3 · best druggability 0.62
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Triosephosphate isomerase (EC 5.3.1.1) | protein | 248 | 42% helix, 16% strand | P60174 |
Ligands and binding sites
- PGA · 2-phosphoglycolic acid · ligand · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 137 | 0.62 | 0.86 | 29 | empty |
| 2 | 143 | 0.47 | 0.77 | 29 | empty |
| 3 | 66 | 0.40 | 0.80 | 21 | PGA |
Interfaces
1 interface between chains.
- A–B · 1761 Ų buried · 40 hydrogen bonds · protein-protein
Compared structures
- 1HTI · Crystal structure of recombinant human triosephosphate isomerase at 2.8 ångströms… · the same entry in another collection · chain A against A, TM-score 1.00
- P60174 · AlphaFold monomer V2.0 prediction for triosephosphate isomerase (P60174) · a predicted model of the same protein · chain A 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 P60174
- Elsewhere: RCSB PDB 1HTI · PDBe 1HTI · UniProt P60174
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