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A 1.4 ångström crystal structure for the hypoxanthine phosphoribosyltransferase of trypanosoma cruzi
Analyse A 1.4 ångström crystal structure for the hypoxanthine phosphoribosyltransferase… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1TC1
- Type
- protein
- Length
- 361 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.41
- Source
- Trypanosoma cruzi
- Molecule
- Protein (hypoxanthine phosphoribosyltransferase)
- EC
- 2.4.2.8
- UniProt
- Q27796
- Ligands
- FMB
- Pockets
- 5 · best druggability 0.58
Structure
x-ray diffraction · resolution 1.41 · 2 distinct chains · 25% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein (hypoxanthine phosphoribosyltransferase) (EC 2.4.2.8) | protein | 175 | 25% helix, 34% strand | Q27796 |
| B | Protein (hypoxanthine phosphoribosyltransferase) (EC 2.4.2.8) | protein | 186 | 25% helix, 33% strand | Q27796 |
Ligands and binding sites
- FMB · Formycin B · ligand · 2 copies · chains A, B
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · 2 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 386 | 0.58 | 0.75 | 42 | FMB, MES |
| 2 | 305 | 0.57 | 0.76 | 34 | FMB, MES |
| 3 | 139 | 0.56 | 0.83 | 21 | empty |
| 4 | 75 | 0.40 | 0.79 | 18 | empty |
| 5 | 69 | 0.34 | 0.76 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1564 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 1TC1 · A 1.4 ångström crystal structure for the hypoxanthine phosphoribosyltransferase of… · the same entry in another collection · 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 Q27796
- Elsewhere: RCSB PDB 1TC1 · PDBe 1TC1 · UniProt Q27796
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