Structure of PDB 3ayq Chain A Binding Site BS01

Receptor Information

>3ayq Chain A (length=122) Species: 74491 (Meretrix lusoria)

FAGGTVSQRCLSCICKMESGCRNVGCKMDMGSLSCGYFQIKEAYWIDCGR
PGSSWKSCAASSYCASLCVQNYMKRYAKWAGCPLRCEGFAREHNGGPRGC
KKGSTIGYWNRLQKISGCHGVQ

Ligand information

• Ligand ID: 4NN
• InChI: InChI=1S/C8H11NO5/c1-4(11)9-5-2-6(12)7(3-10)14-8(5)13/h2,6-7,10,12H,3H2,1H3,(H,9,11)/t6-,7+/m0/s1
• InChIKey: COFUDTMBMJHQIZ-NKWVEPMBSA-N
• SMILES:
  CACTVS 3.370: CC(=O)NC1=C[C@H](O)[C@@H](CO)OC1=O
  OpenEye OEToolkits 1.7.2: CC(=O)NC1=CC(C(OC1=O)CO)O
  OpenEye OEToolkits 1.7.2: CC(=O)NC1=C[C@@H]([C@H](OC1=O)CO)O
  CACTVS 3.370: CC(=O)NC1=C[CH](O)[CH](CO)OC1=O
  ACDLabs 12.01: O=C1OC(CO)C(O)C=C1NC(=O)C
• Formula: C8 H11 N O5
• Name: N-[(5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-oxo-5,6-dihydro-2H-pyran-3-yl]acetamide
• PDB chain: 3ayq Chain B Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3ayq Crystal structure of inhibitor bound lysozyme from Meretrix lusoria
• Resolution: 1.77 Å
• Binding residue (original residue number in PDB): E18 D29 Q39 K41 N94
• Binding residue (residue number reindexed from 1): E18 D29 Q39 K41 N94
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.2.1.17: lysozyme.

Gene Ontology

Molecular Function

• GO:0003796 lysozyme activity
• GO:0004568 chitinase activity
• GO:0016798 hydrolase activity, acting on glycosyl bonds

Biological Process

• GO:0031640 killing of cells of another organism
• GO:0042742 defense response to bacterium

Cellular Component

• GO:0005576 extracellular region

External links

• PDB: RCSB:3ayq, PDBe:3ayq, PDBj:3ayq
• PDBsum: 3ayq
• UniProt: P86383|LYS_MERLU Lysozyme