MolNFT v1 · #52439 · protein
Crystal structure of glmu from haemophilus influenzae in complex with quinazoline inhibitor 2
2W0W · Glucosamine-1-phosphate N-acetyltransferase: “Crystal structure of glmu from haemophilus influenzae in complex with quinazoline inhibitor 2”. X-ray diffraction, 1 ligand (LZS), 2 pockets (best druggability 0.67). MolNFT v1 #52439 on…
- PDB
- 2W0W
- Type
- protein
- Length
- 450 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glucosamine-1-phosphate N-acetyltransferase
- EC
- 2.3.1.157
- UniProt
- P43889
- Ligands
- LZS
- Pockets
- 2 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 21% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glucosamine-1-phosphate N-acetyltransferase (EC 2.3.1.157) | protein | 450 | 21% helix, 35% strand | P43889 |
Ligands and binding sites
- LZS · N-{6-(cyclopropylmethoxy)-7-methoxy-2-[6-(2-methylpropyl)-5-oxo-3,4,5,6-tetrahydro-2,6-naphthyridin-2(1H)-yl]quinazolin-4-yl}-2,2,2-trifluoroethanesulfonamide · ligand · chains A
- PG4 · Tetraethylene glycol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 550 | 0.67 | 0.77 | 45 | LZS |
| 2 | 224 | 0.50 | 0.75 | 25 | empty |
Compared structures
- 2W0W · Crystal structure of Glmu from Haemophilus influenzae in complex with quinazoline… · the same entry in another collection · chain A against A, TM-score 1.00
- P43889 · AlphaFold monomer V2.0 prediction for bifunctional protein glmu (P43889) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 P43889
- Elsewhere: RCSB PDB 2W0W · PDBe 2W0W · UniProt P43889
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