Research workbench
Crystal structure of (hish) K181A Y138A mutant of imidazoleglycerolphosphate synthase (hish hisf) which displays constitutive glutaminase activity
Analyse Crystal structure of (hish) K181A Y138A mutant of imidazoleglycerolphosphate… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- 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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