MolNFT v1 · #17556 · protein
Towards understanding the mechanism of the complex cyclization reaction catalyzed by imidazole glycerophosphate synthase
1OX6 · Imidazole glycerol phosphate synthase hishf: “Towards understanding the mechanism of the complex cyclization reaction catalyzed by imidazole…”. X-ray diffraction, 3 ligands (POP, NI, SO4), 7 pockets (best druggability 0.80). MolNFT…
- PDB
- 1OX6
- Type
- protein
- Length
- 1,062 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Imidazole glycerol phosphate synthase hishf
- EC
- 2.4.2.-, 4.1.3.-
- UniProt
- P33734
- Ligands
- POP, NI, SO4
- Pockets
- 7 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Imidazole glycerol phosphate synthase hishf (EC 2.4.2.-, 4.1.3.-) | protein | 531 | 34% helix, 25% strand | P33734 |
Ligands and binding sites
- POP · Pyrophosphate 2- · ligand · chains B
- NI · Nickel (II) ion · metal · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 5 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 127 | 0.80 | 0.98 | 31 | empty |
| 2 | 112 | 0.78 | 0.97 | 30 | empty |
| 3 | 575 | 0.67 | 0.77 | 85 | SO4, POP |
| 4 | 479 | 0.65 | 0.78 | 59 | SO4 |
| 5 | 115 | 0.39 | 0.75 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 532 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 1OX6 · Towards understanding the mechanism of the complex cyclization reaction catalyzed by… · the same entry in another collection · chain A against A, TM-score 1.00
- P33734 · AlphaFold monomer V2.0 prediction for imidazole glycerol phosphate synthase hishf (P33734) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P33734
- Elsewhere: RCSB PDB 1OX6 · PDBe 1OX6 · UniProt P33734
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