Research workbench
Structural evidence for ammonia tunneling across the (beta-ALPHA)8 barrel of the imidazole glycerol phosphate synthase bienzyme complex
Analyse Structural evidence for ammonia tunneling across the (beta-ALPHA)8 barrel of… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3ZR4
- Type
- protein
- Length
- 1,330 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Imidazole glycerol phosphate synthase subunit hisf; Imidazole glycerol phosphate synthase…
- EC
- 4.1.3.-, 2.4.2.-
- UniProt
- Q9X0C6, Q9X0C8
- Ligands
- GLN
- Pockets
- 15 · best druggability 0.80
Structure
x-ray diffraction · 4 distinct chains · 37% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Imidazole glycerol phosphate synthase subunit hisf (EC 4.1.3.-) | protein | 242 | 42% helix, 26% strand | Q9X0C6 |
| B, D, F | Imidazole glycerol phosphate synthase subunit hish (EC 2.4.2.-) | protein | 200 | 28% helix, 35% strand | Q9X0C8 |
| C | Imidazole glycerol phosphate synthase subunit hisf (EC 4.1.3.-) | protein | 244 | 39% helix, 25% strand | Q9X0C6 |
| E | Imidazole glycerol phosphate synthase subunit hisf (EC 4.1.3.-) | protein | 244 | 39% helix, 25% strand | Q9X0C6 |
Ligands and binding sites
- GLN · Glutamine · ligand · 2 copies · chains A, B, D
- GOL · Glycerol · additive · 7 copies · chains A, B, C, D, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
15 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 931 | 0.80 | 0.82 | 98 | GLN |
| 2 | 974 | 0.80 | 0.81 | 103 | GLN |
| 3 | 591 | 0.74 | 0.81 | 76 | empty |
| 4 | 400 | 0.64 | 0.78 | 42 | empty |
| 5 | 419 | 0.62 | 0.77 | 46 | empty |
Interfaces
8 interfaces between chains.
- C–D · 1190 Ų buried · 22 hydrogen bonds · protein-protein
- A–B · 1183 Ų buried · 18 hydrogen bonds · protein-protein
- E–F · 1167 Ų buried · 19 hydrogen bonds · protein-protein
- B–D · 400 Ų buried · 4 hydrogen bonds · protein-protein
- B–E · 298 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 3ZR4 · Structural evidence for ammonia tunneling across the (beta-ALPHA)8 barrel of the… · 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 B against A, TM-score 0.99
- 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 3ZR4 · PDBe 3ZR4 · UniProt Q9X0C6 · UniProt Q9X0C8
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