MolNFT v1 · #8072 · protein
Structural evidence for ammonia tunneling across the (BETA/ALPHA)8 barrel of the imidazole glycerol phosphate synthase bienzyme complex.
1GPW · Hisf protein: “Structural evidence for ammonia tunneling across the (BETA/ALPHA)8 barrel of the imidazole glycerol phosphate…”. X-ray diffraction, 1 ligand (PO4), 16 pockets (best druggability 0.76). MolNFT v1 #8072 on GenesisL1: 3D…
- PDB
- 1GPW
- Type
- protein
- Length
- 1,359 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hisf protein; Amidotransferase hish
- UniProt
- Q9X0C6, Q9X0C8
- Ligands
- PO4
- Pockets
- 16 · best druggability 0.76
Structure
x-ray diffraction · 4 distinct chains · 33% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Hisf protein | protein | 253 | 38% helix, 26% strand | Q9X0C6 |
| B | Amidotransferase hish | protein | 200 | 26% helix, 37% strand | Q9X0C8 |
| D, F | Amidotransferase hish | protein | 201 | 26% helix, 33% strand | Q9X0C8 |
| E | Hisf protein | protein | 251 | 41% helix, 22% strand | Q9X0C6 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 6 copies · chains A, C, D, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1068 | 0.76 | 0.78 | 78 | PO4 |
| 2 | 512 | 0.72 | 0.81 | 50 | PO4 |
| 3 | 330 | 0.71 | 0.84 | 41 | empty |
| 4 | 365 | 0.71 | 0.83 | 40 | empty |
| 5 | 333 | 0.69 | 0.83 | 40 | empty |
Interfaces
5 interfaces between chains.
- E–F · 1169 Ų buried · 16 hydrogen bonds · protein-protein
- C–D · 1134 Ų buried · 17 hydrogen bonds · protein-protein
- A–B · 1107 Ų buried · 14 hydrogen bonds · protein-protein
- A–D · 409 Ų buried · 6 hydrogen bonds · protein-protein
- B–E · 360 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 1GPW · 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 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 Q9X0C6
- Every structure of UniProt Q9X0C8
- Elsewhere: RCSB PDB 1GPW · PDBe 1GPW · UniProt Q9X0C6 · UniProt Q9X0C8
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