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Crystal structure of hprt from F. tularensis with zinc
Analyse Crystal structure of hprt from F. tularensis with zinc in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6IGS
- Type
- protein
- Length
- 650 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypoxanthine phosphoribosyltransferase
- EC
- 2.4.2.8
- UniProt
- A0A0E2ZT88
- Ligands
- ZN, SO4
- Pockets
- 9 · best druggability 0.58
Structure
x-ray diffraction · 4 distinct chains · 29% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hypoxanthine phosphoribosyltransferase (EC 2.4.2.8) | protein | 162 | 30% helix, 33% strand | A0A0E2ZT88 |
| B | Hypoxanthine phosphoribosyltransferase (EC 2.4.2.8) | protein | 167 | 26% helix, 37% strand | A0A0E2ZT88 |
| C | Hypoxanthine phosphoribosyltransferase (EC 2.4.2.8) | protein | 163 | 31% helix, 33% strand | A0A0E2ZT88 |
| D | Hypoxanthine phosphoribosyltransferase (EC 2.4.2.8) | protein | 158 | 28% helix, 35% strand | A0A0E2ZT88 |
Ligands and binding sites
- ZN · Zinc ion · metal · 8 copies · chains A, B, C, D
- SO4 · Sulfate ion · ion · 7 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 295 | 0.58 | 0.77 | 30 | SO4, ZN |
| 2 | 207 | 0.48 | 0.75 | 26 | SO4, ZN |
| 3 | 195 | 0.46 | 0.74 | 24 | SO4, ZN |
| 4 | 177 | 0.44 | 0.74 | 25 | SO4, ZN |
| 5 | 149 | 0.42 | 0.75 | 21 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1523 Ų buried · 15 hydrogen bonds · protein-protein
- C–D · 1369 Ų buried · 15 hydrogen bonds · protein-protein
- B–D · 172 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 6IGS · Crystal structure of HPRT from F. tularensis with Zinc · 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 A0A0E2ZT88
- Elsewhere: RCSB PDB 6IGS · PDBe 6IGS · UniProt A0A0E2ZT88
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