MolNFT v1 · #122447 · protein
Crystal structure of hypoxanthine-guanine phosphoribosyltransferase from schistosoma mansoni in complex with imp
5IPF · Hypoxanthine-guanine phosphoribosyltransferase (hgprt): “Crystal structure of hypoxanthine-guanine phosphoribosyltransferase from schistosoma mansoni in complex with…”. X-ray diffraction, 1 ligand (IMP), 11 pockets (best…
- PDB
- 5IPF
- Type
- protein
- Length
- 768 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypoxanthine-guanine phosphoribosyltransferase (hgprt)
- EC
- 2.4.2.8
- UniProt
- G4LWQ2
- Ligands
- IMP
- Pockets
- 11 · best druggability 0.85
Structure
x-ray diffraction · 4 distinct chains · 31% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hypoxanthine-guanine phosphoribosyltransferase (hgprt) (EC 2.4.2.8) | protein | 201 | 29% helix, 28% strand | G4LWQ2 |
| B | Hypoxanthine-guanine phosphoribosyltransferase (hgprt) (EC 2.4.2.8) | protein | 192 | 31% helix, 28% strand | G4LWQ2 |
| C | Hypoxanthine-guanine phosphoribosyltransferase (hgprt) (EC 2.4.2.8) | protein | 186 | 32% helix, 27% strand | G4LWQ2 |
| D | Hypoxanthine-guanine phosphoribosyltransferase (hgprt) (EC 2.4.2.8) | protein | 189 | 32% helix, 29% strand | G4LWQ2 |
Ligands and binding sites
- IMP · Inosinic acid · ligand · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1111 | 0.85 | 0.86 | 100 | empty |
| 2 | 117 | 0.55 | 0.83 | 28 | empty |
| 3 | 86 | 0.55 | 0.86 | 23 | empty |
| 4 | 96 | 0.52 | 0.82 | 23 | empty |
| 5 | 109 | 0.48 | 0.79 | 22 | empty |
Interfaces
6 interfaces between chains.
- B–D · 1131 Ų buried · 5 hydrogen bonds · protein-protein
- A–C · 1097 Ų buried · 7 hydrogen bonds · protein-protein
- A–B · 996 Ų buried · 8 hydrogen bonds · protein-protein
- C–D · 900 Ų buried · 6 hydrogen bonds · protein-protein
- B–C · 296 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 5IPF · Crystal structure of Hypoxanthine-guanine phosphoribosyltransferase from Schistosoma… · the same entry in another collection · chain C against C, 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 G4LWQ2
- Elsewhere: RCSB PDB 5IPF · PDBe 5IPF · UniProt G4LWQ2
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