Structure of PDB 1r17 Chain B Binding Site BS02

Receptor Information
>1r17 Chain B (length=320) Species: 1282 (Staphylococcus epidermidis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSNVNHLIKVTDQSITEGYDDSDGIIKAHDAENLIYDVTFEVDDKVKSGD
TMTVNIDKNTVPSDLTDSFAIPKIKDNSGEIIATGTYDNTNKQITYTFTD
YVDKYENIKAHLKLTSYIDKSKVPNNNTKLDVEYKTALSSVNKTITVEYQ
KPNENRTANLQSMFTNIDTKNHTVEQTIYINPLRYSAKETNVNISGNGDE
GSTIIDDSTIIKVYKVGDNQNLPDSNRIYDYSEYEDVTNDDYAQLGNNND
VNINFGNIDSPYIIKVISKYDPNKDDYTTIQQTVTMQTTINEYTGEFRTA
SYDNTIAFSTSSGQGQGDLP
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 chain1r17 Chain B Residue 599 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1r17 A "dock, lock and latch" Structural Model for a Staphylococcal Adhesin Binding to Fibrinogen
Resolution1.86 Å
Binding residue
(original residue number in PDB)		E292 S297 I300 E307
Binding residue
(residue number reindexed from 1)		E17 S22 I25 E32
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Cellular Component
GO:0005618 cell wall

View graph for
Biological Process
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Cellular Component
External links
PDB RCSB:1r17, PDBe:1r17, PDBj:1r17
PDBsum1r17
PubMed14567919
UniProtQ9KI13|SDRG_STAEP Serine-aspartate repeat-containing protein G (Gene Name=sdrG)

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