Structure of PDB 1akl Chain A Binding Site BS06

Receptor Information
>1akl Chain A (length=470) Species: 287 (Pseudomonas aeruginosa) [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 chain1akl Chain A Residue 505 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1akl Crystal structure of the unliganded alkaline protease from Pseudomonas aeruginosa IFO3080 and its conformational changes on ligand binding.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		G370 G372 D374 Q399 D400
Binding residue
(residue number reindexed from 1)		G370 G372 D374 Q399 D400
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:1akl, PDBe:1akl, PDBj:1akl
PDBsum1akl
PubMed8690704
UniProtQ03023|APRA_PSEAE Serralysin (Gene Name=aprA)

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