MolNFT v1 · #93164 · protein
Crystal structure of amidotransferase hish from vibrio cholerae
4GUD · Imidazole glycerol phosphate synthase subunit hish: “Crystal structure of amidotransferase hish from vibrio cholerae”. X-ray diffraction, 4 pockets (best druggability 0.45). MolNFT v1 #93164 on GenesisL1: 3D structure, binding sites…
- PDB
- 4GUD
- Type
- protein
- Length
- 398 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Imidazole glycerol phosphate synthase subunit hish
- EC
- 2.4.2.-
- UniProt
- Q9KSX0
- Pockets
- 4 · best druggability 0.45
Structure
x-ray diffraction · 2 distinct chains · 27% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Imidazole glycerol phosphate synthase subunit hish (EC 2.4.2.-) | protein | 197 | 28% helix, 28% strand | Q9KSX0 |
| B | Imidazole glycerol phosphate synthase subunit hish (EC 2.4.2.-) | protein | 201 | 27% helix, 27% strand | Q9KSX0 |
Ligands and binding sites
- GOL · Glycerol · additive · chains A
- PEG · Di(hydroxyethyl)ether · additive · chains A
- 1PE · Pentaethylene glycol · additive · chains B
- EDO · 1,2-ethanediol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 61 | 0.45 | 0.84 | 22 | empty |
| 2 | 89 | 0.41 | 0.78 | 20 | empty |
| 3 | 113 | 0.39 | 0.75 | 20 | empty |
| 4 | 67 | 0.37 | 0.78 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 571 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 modified (engineered).
Compared structures
- 4GUD · Crystal Structure of Amidotransferase HisH from Vibrio cholerae · the same entry in another collection · chain A against A, TM-score 1.00
- Q9KSX0 · AlphaFold monomer V2.0 prediction for imidazole glycerol phosphate synthase subunit hish… · 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 Q9KSX0
- Elsewhere: RCSB PDB 4GUD · PDBe 4GUD · UniProt Q9KSX0
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