Structure of PDB 7bb8 Chain B Binding Site BS03

Receptor Information
>7bb8 Chain B (length=360) Species: 28035 (Staphylococcus lugdunensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASYVVNNENIDKDGRQAYTGSYSLNDQRTFTTIDNRTNQDEQTTATLKYD
GKKAQVWVADQYITDKQAQNIGREFDERIDPLIENNFGEPSDVDNNGKVN
ILVYDIKDNYDQTGTYIGGYFHPRDLYNVRGSNHSEIFYMDTYPSMGTDR
QHLNESQIYSTLAHEYQHMVNANENLFKEQSQEEMDPWLNEALSMASEQM
YLNAPLNSRIDYYNNSKSIAYGHSLIRWDEQGDTLSNYSLSYLFIEYLKK
QSDNGEQVFKELINDPGDTNTALQNAIHEHVDPNLSLSKFMTNFRIALVK
KENSGPYGFKGDADFNNVHPQPISQIPETLAPQGSVLFQTNQDFNVPNDK
DEDISYNKVN
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 chain7bb8 Chain B Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7bb8 Crystal structure of Staphylococcus lugdunensis protease, Lugdulysin
Resolution1.506 Å
Binding residue
(original residue number in PDB)		N252 E256 I340 N341 D342
Binding residue
(residue number reindexed from 1)		N175 E179 I263 N264 D265
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008237 metallopeptidase activity
GO:0046872 metal ion binding
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:7bb8, PDBe:7bb8, PDBj:7bb8
PDBsum7bb8
PubMed
UniProtA0A292DHH8

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