Structure of PDB 2ww8 Chain A Binding Site BS01

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 IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain2ww8 Chain A Residue 1000 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB2ww8 Structural Basis of Host Cell Recognition by the Pilus Adhesin from Streptococcus Pneumoniae
Resolution1.9 Å
Binding residue
(original residue number in PDB)		S234 S236 D387
Binding residue
(residue number reindexed from 1)		S189 S191 D342
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

[Back to BioLiP]