Structure of PDB 4m5e Chain A Binding Site BS01

Receptor Information

>4m5e Chain A (length=405) Species: 208964 (Pseudomonas aeruginosa PAO1)

TATSDLIESLISYSWDDWQVTRQEARRVIAAIRNDNVPDATIAALDKSGS
LIKLFQRVGPPELARSLIASIAGRTTMQRYQARNALIRSLINNPLGTQTD
NWIYFPTITFFDICADLADAAGRLGFAAAGATGVASQAIQGPFSGVGATG
VNPTDLPSIAFGDQLKLLNKDPATVTKYSNPLGDLGAYLSQLSPQDKLNQ
AQTLVGQPISTLFPDAYPGNPPSRAKVMSAAARKYDLTPQLIGAIILAEQ
RDQTRDEDAKDYQAAVSIKSANTSIGLGQVVVSTAIKYELFTDLLGQPVR
RGLSRKAVATLLASDEFNIFATARYIRYVANLASQQDLRKLPKTRGAFPS
IDLRAYAGNPRNWPRDNVRALASEYTSRPWDDNLSPGWPMFVDDAYATFL
DLEHH

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: 4m5e Chain A Residue 505

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4m5e Structural insights into the T6SS effector protein Tse3 and the Tse3-Tsi3 complex from Pseudomonas aeruginosa reveal a calcium-dependent membrane-binding mechanism
• Resolution: 1.49 Å
• Binding residue (original residue number in PDB): E375 S378 R379 D382 N384
• Binding residue (residue number reindexed from 1): E374 S377 R378 D381 N383
• 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:4m5e, PDBe:4m5e, PDBj:4m5e
• PDBsum: 4m5e
• PubMed: 24724564
• UniProt: Q9HYC5|TSE3_PSEAE Peptidoglycan muramidase Tse3 (Gene Name=tse3)