Structure of PDB 2ww8 Chain A Binding Site BS02

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 1001 [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)		D367 N526 D530
Binding residue
(residue number reindexed from 1)		D322 N481 D485
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
Cellular Component
GO:0016020 membrane

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

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