Structure of PDB 8alk Chain A Binding Site BS02

Receptor Information
>8alk Chain A (length=447) Species: 446 (Legionella pneumophila) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDKIITGKKIIFSQSVAKDQTKNLSSFLSERFYSVNQSHNHSIIIGSSLS
HQENDIEHDTILDTSGVLVTTDTNGIVNGARVAITDGLGGGDQEEDDEIY
RVSHSSCENFLNSDQNIDTTLSLITQHTEASMAAFIYQNHPGKGYIGEFA
NIGDGLIIILDKRFKIKHMVSASHIYRGFGTWTPPSLQALATTANKDALL
VRQTLKLAEGDIIISMTDGVWGELKTSLIAQTNDRRDIGVDKEYFKTLFD
ELTDAPYPSSFDIARIITQRAMSRSLERRKTLIKLINEIEQQHFHEKSVK
TINEVLEYFIKTGHVETAQTLKAILFEDGLSDGITYFENIEIPLEMVMHD
LKSRCVGDCSTINVTRIPYHLDELIRGFINYPEKHQILAPLFKARVKSEA
DLEEAFHRLSLEMVQPEIESPISETHFERAFKKETLDKTQAVLTHYF
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain8alk Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8alk Dephosphocholination by Legionella effector Lem3 functions through remodelling of the switch II region of Rab1b.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		D105 G106
Binding residue
(residue number reindexed from 1)		D86 G87
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.-
External links
PDB RCSB:8alk, PDBe:8alk, PDBj:8alk
PDBsum8alk
PubMed37076474
UniProtQ5ZXN5|LEM3_LEGPH Phosphocholine hydrolase Lem3 (Gene Name=lem3)

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