Structure of PDB 1kap Chain P Binding Site BS08

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 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 chain1kap Chain P Residue 619 [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)		G361 L362 G363 D365 E383 D390
Binding residue
(residue number reindexed from 1)		G361 L362 G363 D365 E383 D390
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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