Structure of PDB 2ww8 Chain A Binding Site BS03

Receptor Information
>2ww8 Chain A (length=815) Species: 1313 (Streptococcus pneumoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AIGKVVIKETGEGGALLGDAVFELKNNTDGTTVSQRTEAQTGEAIFSNIK
PGTYTLTEAQPPVGYKPSTKQWTVEVEKNGRTTVQGEQVENREEALSDQY
PQTGTYPDVQTPYQIIKVDGSEKNGQHKALNPNPYERVIPEGTLSKRIYQ
VNNLDDNQYGIELTVSGKTVYEQKDKSVPLDVVILLDNSNSMSNIRNKNA
RRAERAGEATRSLIDKITSDSENRVALVTYASTIFDGTEFTVEKGVADKN
GKRLNDSLFWNYDQTSFTTNTKDYSYLKLTNDKNDIVELKNKVPTEAEDH
DGNRLMYQFGATFTQKALMKADEILTQQARQNSQKVIFHITDGVPTMSYP
INFNHATFAPSYQNQLNAFFSKSPNKDGILLSDFITQATSGEHTIVRGDG
QSYQMFTDKTVYEKGAPAAFPVKPEKYSEMKAAGYAVIGDPINGGYIWLN
WRESILAYPFNSNTAKITNHGDPTRWYYNGNIAPDGYDVFTVGIGINGDP
GTDEATATSFMQSISSKPENYTNVTDTTKILEQLNRYFHTIVTEKKSIEN
GTITDPMGELIDLQLGTDGRFDPADYTLTANDGSRLENGQAVGGPQNDGG
LLKNAKVLYDTTEKRIRVTGLYLGTDEKVTLTYNVRLNDEFVSNKFYDTN
GRTTLHPKEVEQNTVRDFPIPKIRDVRKYPEITISKEKKLGDIEFIKVNK
NDKKPLRGAVFSLQKQHPDYPDIYGAIDQNGTYQNVRTGEDGKLTFKNLS
DGKYRLFENSEPAGYKPVQNKPIVAFQIVNGEVRDVTSIVPQDIPAGYEF
TNDKHYITNEPIPPK
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 chain2ww8 Chain A Residue 1002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2ww8 Structural Basis of Host Cell Recognition by the Pilus Adhesin from Streptococcus Pneumoniae
Resolution1.9 Å
Binding residue
(original residue number in PDB)		L610 D613 R615 D617 D620
Binding residue
(residue number reindexed from 1)		L565 D568 R570 D572 D575
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
Cellular Component
GO:0016020 membrane

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Molecular Function
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Cellular Component
External links
PDB RCSB:2ww8, PDBe:2ww8, PDBj:2ww8
PDBsum2ww8
PubMed20152157
UniProtA0A0H2UNT6

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