PDB Entry (2htx)
PDB ID: 2htx Resolution: 1.56 Å Exp. Method: X-RAY DIFFRACTION
PMID: 17461426 DOI: 10.1002/bit.21459
Protein
Protein Name: Lysozyme C
Uniprot ID/ACC: P00698 (LYSC_CHICK) Organism: Gallus gallus (Chicken)
Gene Symbol: LYZ Gene ID: 396218
Protein Class: HYDROLASE
Ligand
Ligand Name:   UNDECA-3,7-DIENE-1,3,7,11-TETRACARBALDEHYDE
Canonical SMILES:   O=CCCC/C=C(\C=O)CC/C=C(\C=O)CCC=O
Standard InChI:   InChI=1S/C15H20O4/c16-10-3-1-2-6-14(12-18)7-4-8-15(13-19)9-5-11-17/h6,8,10-13H,1-5,7,9H2/b14-6-,15-8-
HET Code:   220 PubChem:   21363450
DrugBank:   - ChEMBL:   -
Molecular Formula:   C15H20O4 Mol. Weight:   264.13617 logP:   2.3655
HBD:   0 HBA:   4
#Rotatable Bonds:   12 TPSA:   68.28
Covalent Mechanism
Reaction Name Residue Chain ID SASA pKa Warhead Name Warhead Structure
Imine Condensation LYS 13 A 91.93 10.24 Aldehyde
Binding Affinity
-