Research workbench
Crystal structure of T. brucei hypoxanthine guanine phosphoribosyltransferase in complex with (4S,7S)-7-hydroxy-4- ((guanin-9-YL)METHYL)-2,5-dioxaheptan-1,7-diphosphonate
Analyse Crystal structure of T. brucei hypoxanthine guanine phosphoribosyltransferase… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7SB7
- Type
- protein
- Length
- 355 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypoxanthine-guanine phosphoribosyltransferase
- EC
- 2.4.2.8
- UniProt
- Q07010
- Ligands
- 8QI
- Pockets
- 5 · best druggability 0.45
Structure
x-ray diffraction · 2 distinct chains · 33% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hypoxanthine-guanine phosphoribosyltransferase (EC 2.4.2.8) | protein | 177 | 34% helix, 29% strand | Q07010 |
| B | Hypoxanthine-guanine phosphoribosyltransferase (EC 2.4.2.8) | protein | 178 | 32% helix, 30% strand | Q07010 |
Ligands and binding sites
- 8QI · ({(2S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2S)-2-hydroxy-2-phosphonoethoxy]propoxy}methyl) phosphonic acid · ligand · 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 166 | 0.45 | 0.75 | 24 | empty |
| 2 | 98 | 0.36 | 0.75 | 18 | empty |
| 3 | 98 | 0.36 | 0.74 | 21 | 8QI |
| 4 | 94 | 0.35 | 0.74 | 21 | 8QI |
| 5 | 78 | 0.35 | 0.76 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 1570 Ų buried · 24 hydrogen bonds · protein-protein
Compared structures
- 7SB7 · Crystal structure of T. brucei hypoxanthine guanine phosphoribosyltransferase in complex… · the same entry in another collection · chain A against A, TM-score 1.00
- Q07010 · AlphaFold monomer V2.0 prediction for hypoxanthine-guanine phosphoribosyltransferase… · a predicted model of the same protein · chain B 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 Q07010
- Elsewhere: RCSB PDB 7SB7 · PDBe 7SB7 · UniProt Q07010
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