Structure of PDB 3wa5 Chain A Binding Site BS01

Receptor Information

>3wa5 Chain A (length=400) Species: 208964 (Pseudomonas aeruginosa PAO1)

TATSDLIESLIQVTRQEARRVIAAIRNDNVPDATIAALDKSGSLIKLFQR
VGPPELARSLIASIAGRTTMQRYQARNALIRSLINNPLGTQTDNWIYFPT
ITFFDICADLADAAGRLGFAAAGATGVASQAIQGPFSGVGATGVNPTDLP
SIAFGDQLKLLNKDPATVTKYSNPLGDLGAYLSQLSPQDKLNQAQTLVGQ
PISTLFPDAYPGNPPSRAKVMSAAARKYDLTPQLIGAIILAEQRDQTRDE
DAKDYQAAVSIKSANTSIGLGQVVVSTAIKYELFTDLLGQPVRRGLSRKA
VATLLASDEFNIFATARYIRYVANLASQQDLRKLPKTRGAFPSIDLRAYA
GNPRNWPRDNVRALASEYTSRPWDDNLSPGWPMFVDDAYATFLDPGMRFP

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 3wa5 Chain A Residue 504

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3wa5 Complex structure of type VI peptidoglycan muramidase effector and a cognate immunity protein.
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): N181 D253 Q254 E258 Q280
• Binding residue (residue number reindexed from 1): N173 D245 Q246 E250 Q272
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 3.2.1.17: lysozyme.

Gene Ontology

Molecular Function

• GO:0003796 lysozyme activity
• GO:0016787 hydrolase activity
• GO:0046872 metal ion binding

Cellular Component

• GO:0005576 extracellular region
• GO:0016020 membrane
• GO:0033644 host cell membrane

External links

• PDB: RCSB:3wa5, PDBe:3wa5, PDBj:3wa5
• PDBsum: 3wa5
• PubMed: 24100309
• UniProt: Q9HYC5|TSE3_PSEAE Peptidoglycan muramidase Tse3 (Gene Name=tse3)