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Ternary substrate complex of the hypoxanthine phosphoribosyltransferase from trypanosoma cruzi
Analyse Ternary substrate complex of the hypoxanthine phosphoribosyltransferase from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1TC2
- Type
- protein
- Length
- 382 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein (hypoxanthine phosphoribosyltransferase)
- EC
- 2.4.2.8
- UniProt
- Q27796
- Ligands
- 7HP, PRP, MG, MN
- Pockets
- 5 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 27% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein (hypoxanthine phosphoribosyltransferase) (EC 2.4.2.8) | protein | 186 | 25% helix, 33% strand | Q27796 |
| B | Protein (hypoxanthine phosphoribosyltransferase) (EC 2.4.2.8) | protein | 196 | 29% helix, 31% strand | Q27796 |
Ligands and binding sites
- 7HP · 7-hydroxy-pyrazolo[4,3-d]pyrimidine · ligand · 2 copies · chains A, B
- PRP · 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 3 copies · chains A, B
- MN · Manganese (II) ion · metal · chains 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 | 306 | 0.78 | 0.89 | 41 | MG, MN, 7HP, PRP |
| 2 | 170 | 0.62 | 0.84 | 24 | empty |
| 3 | 301 | 0.55 | 0.75 | 37 | MG, 7HP, PRP |
| 4 | 112 | 0.40 | 0.75 | 18 | empty |
| 5 | 60 | 0.34 | 0.77 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 1674 Ų buried · 19 hydrogen bonds · protein-protein
Compared structures
- 1TC2 · Ternary substrate complex of the hypoxanthine phosphoribosyltransferase from trypanosoma… · 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 1TC2 · PDBe 1TC2 · UniProt Q27796
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