Research workbench
Novel imp binding in feedback inhibition of hypoxanthine-guanine phosphoribosyltransferase from thermoanaerobacter tengcongensis
Analyse Novel imp binding in feedback inhibition of hypoxanthine-guanine… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1YFZ
- 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
- Q8R7L0
- Ligands
- IMP, MG
- Pockets
- 4 · best druggability 0.62
Structure
x-ray diffraction · 2 distinct chains · 29% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hypoxanthine-guanine phosphoribosyltransferase (EC 2.4.2.8) | protein | 178 | 30% helix, 33% strand | Q8R7L0 |
| B | Hypoxanthine-guanine phosphoribosyltransferase (EC 2.4.2.8) | protein | 177 | 28% helix, 34% strand | Q8R7L0 |
Ligands and binding sites
- IMP · Inosinic acid · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 4 copies · chains A, B
- ACT · Acetate ion · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 435 | 0.62 | 0.76 | 33 | ACT, MG, IMP |
| 2 | 366 | 0.59 | 0.76 | 31 | ACT, MG, IMP |
| 3 | 75 | 0.36 | 0.77 | 12 | empty |
| 4 | 53 | 0.26 | 0.73 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 817 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 1YFZ · Novel IMP Binding in Feedback Inhibition of Hypoxanthine-Guanine… · 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 Q8R7L0
- Elsewhere: RCSB PDB 1YFZ · PDBe 1YFZ · UniProt Q8R7L0
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