Structure of PDB 1kap Chain P Binding Site BS02

Receptor Information
>1kap Chain P (length=470) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GRSDAYTQVDNFLHAYARGGDELVNGHPSYTVDQAAEQILREQASWQKAP
GDSVLTLSYSFLTKPNDFFNTPWKYVSDIYSLGKFSAFSAQQQAQAKLSL
QSWSDVTNIHFVDAGQGDQGDLTFGNFSSSVGGAAFAFLPDVPDALKGQS
WYLINSSYSANVNPANGNYGRQTLTHEIGHTLGLSHPGDYNAGEGDPTYA
DATYAEDTRAYSVMSYWEEQNTGQDFKGAYSSAPLLDDIAAIQKLYGANL
TTRTGDTVYGFNSNTERDFYSATSSSSKLVFSVWDAGGNDTLDFSGFSQN
QKINLNEKALSDVGGLKGNVSIAAGVTVENAIGGSGSDLLIGNDVANVLK
GGAGNDILYGGLGADQLWGGAGADTFVYGDIAESSAAAPDTLRDFVSGQD
KIDLSGLDAFVNGGLVLQYVDAFAGKAGQAILSYDAASKAGSLAIDFSGD
AHADFAINLIGQATQADIVV
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain1kap Chain P Residue 613 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1kap Three-dimensional structure of the alkaline protease of Pseudomonas aeruginosa: a two-domain protein with a calcium binding parallel beta roll motif.
Resolution1.64 Å
Binding residue
(original residue number in PDB)		H176 H180 H186
Binding residue
(residue number reindexed from 1)		H176 H180 H186
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.24.40: serralysin.
Gene Ontology
Molecular Function
GO:0004222 metalloendopeptidase activity
GO:0005509 calcium ion binding
GO:0008233 peptidase activity
GO:0008237 metallopeptidase activity
GO:0008270 zinc ion binding
GO:0046872 metal ion binding
Biological Process
GO:0001869 negative regulation of complement activation, lectin pathway
GO:0006508 proteolysis
GO:0010765 positive regulation of sodium ion transport
GO:0045959 negative regulation of complement activation, classical pathway
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1kap, PDBe:1kap, PDBj:1kap
PDBsum1kap
PubMed8253063
UniProtQ03023|APRA_PSEAE Serralysin (Gene Name=aprA)

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