Structure of PDB 4m5f Chain A Binding Site BS01

Receptor Information

>4m5f Chain A (length=399) Species: 208964 (Pseudomonas aeruginosa PAO1)

TATSDLIESLISYSWDDWQVTRQEARRVIAAIRNDNVPDATIAALDKSGS
LIKLFQRVGPPELARSLIASIAGRTTMQRYQARNALIRSLINNPLGTQTD
NWIYFPTITFFDICADLADAAGRLGFAAAGATGVASQAIQGPFSGVGATG
VNPTDLPSIAFGDQLKLLNKDPATVTKYSNPLGDLGAYLSQLSPQDKLNQ
AQTLVGQPISTLFPDAYPGNPPSRAKVMSAAARKYDLTPQLIGAIILAEQ
RDQTRDEDAKDYQAAVSIKSANTSIGLGQVVVSTAIKYELFTDLLGQPVR
RGLSRKAVATLLASDEFNIFATARYIRYVANLASQQDLRKLPKTRGAFPS
IDLRAYAGNPRNWPRDNVRALASEYTSRPWDDNLSPGWPMFVDDAYATF

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: 4m5f Chain A Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4m5f Structural insights into the T6SS effector protein Tse3 and the Tse3-Tsi3 complex from Pseudomonas aeruginosa reveal a calcium-dependent membrane-binding mechanism
• Resolution: 2.5 Å
• Binding residue (original residue number in PDB): N181 D253 Q254 E258 Q280
• Binding residue (residue number reindexed from 1): N180 D252 Q253 E257 Q279
• 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:4m5f, PDBe:4m5f, PDBj:4m5f
• PDBsum: 4m5f
• PubMed: 24724564
• UniProt: Q9HYC5|TSE3_PSEAE Peptidoglycan muramidase Tse3 (Gene Name=tse3)