MolNFT v1 · #53079 · protein
Crystal structure of (hish) K181A Y138A mutant of imidazoleglycerolphosphate synthase (hish hisf) which displays constitutive glutaminase activity
2WJZ · Imidazole glycerol phosphate synthase hisf: “Crystal structure of (hish) K181A Y138A mutant of imidazoleglycerolphosphate synthase (hish hisf) which…”. X-ray diffraction, 1 ligand (PO4), 11 pockets (best druggability 0.78). MolNFT…
- PDB
- 2WJZ
- Type
- protein
- Length
- 1,324 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Imidazole glycerol phosphate synthase hisf; Imidazole glycerol phosphate synthase subunit…
- EC
- 4.1.3.-, 2.4.2.-
- UniProt
- Q9X0C6, Q9X0C8
- Ligands
- PO4
- Pockets
- 11 · best druggability 0.78
Structure
x-ray diffraction · 4 distinct chains · 34% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Imidazole glycerol phosphate synthase hisf (EC 4.1.3.-) | protein | 251 | 39% helix, 24% strand | Q9X0C6 |
| B | Imidazole glycerol phosphate synthase subunit hish (EC 2.4.2.-) | protein | 193 | 26% helix, 35% strand | Q9X0C8 |
| D, F | Imidazole glycerol phosphate synthase subunit hish (EC 2.4.2.-) | protein | 196 | 26% helix, 35% strand | Q9X0C8 |
| E | Imidazole glycerol phosphate synthase hisf (EC 4.1.3.-) | protein | 237 | 40% helix, 26% strand | Q9X0C6 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 3 copies · chains A, C, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 675 | 0.78 | 0.83 | 88 | empty |
| 2 | 533 | 0.75 | 0.83 | 63 | empty |
| 3 | 345 | 0.74 | 0.86 | 44 | empty |
| 4 | 72 | 0.65 | 0.92 | 27 | empty |
| 5 | 408 | 0.62 | 0.77 | 55 | PO4 |
Interfaces
6 interfaces between chains.
- A–B · 1013 Ų buried · 16 hydrogen bonds · protein-protein
- C–D · 1003 Ų buried · 13 hydrogen bonds · protein-protein
- E–F · 935 Ų buried · 10 hydrogen bonds · protein-protein
- B–C · 249 Ų buried · 3 hydrogen bonds · protein-protein
- D–F · 53 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 2WJZ · Crystal structure of (HisH) K181A Y138A mutant of imidazoleglycerolphosphate synthase… · the same entry in another collection · chain F against F, TM-score 1.00
- Q9X0C8 · AlphaFold monomer V2.0 prediction for imidazole glycerol phosphate synthase subunit hish… · a predicted model of the same protein · chain D against A, TM-score 1.00
- Q9X0C6 · AlphaFold monomer V2.0 prediction for imidazole glycerol phosphate synthase subunit hisf… · a predicted model of the same protein · chain E 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 Q9X0C6
- Every structure of UniProt Q9X0C8
- Elsewhere: RCSB PDB 2WJZ · PDBe 2WJZ · UniProt Q9X0C6 · UniProt Q9X0C8
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