Structure of PDB 8vdk Chain A Binding Site BS02

Receptor Information
>8vdk Chain A (length=432) Species: 359787 (Staphylococcus aureus subsp. aureus JH1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKNVNDLITSNTTLTVVDADNSKTIVPAQDYLSLKSQITVDDKVKSGDYF
TIKYSDTVQVYGLNPEDIKNIGDIKDPNNGETIATAKHDTANNLITYTFT
DYVDRFNSVKMGINYSIYMDADTIPVDKKDVPFSVTIGNQITTTTADITY
PAYKEADNNSIGSAFTETVSHVGNVEDPGYYNQVVYVNPMDKDLKGAKLK
VEAYHPKYPTNIGQINQNVTNIKIYRVPEGYTLNKGYDVNTNDLVDVTDE
FKNKMTYGSNQSVNLDFGDITSAYVVMVNTKFQYTNSESPTLVQMATLSS
TGNKSVSTGNALGFTNQEVYKIGNYVWEDTNKNGVQELGEKGVGNVTVTV
FDNNTNTKVGEAVTKEDGSYLIPNLPNGDYRVEFSNLPKGYEVTPSKQGN
NEELDSNGLSSVITVNGKDNLSADLGIYKPKY
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 chain8vdk Chain A Residue 513 [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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PDB8vdk Crystal Structure of LPXTG-motif Cell Wall Anchor Domain Protein MSCRAMM_SdrD from Staphylococcus aureus
Resolution1.8 Å
Binding residue
(original residue number in PDB)		D336 N338 N340 V342 E344 E347
Binding residue
(residue number reindexed from 1)		D329 N331 N333 V335 E337 E340
Annotation score4
External links
PDB RCSB:8vdk, PDBe:8vdk, PDBj:8vdk
PDBsum8vdk
PubMed
UniProtQ99W47|SDRD_STAAM Serine-aspartate repeat-containing protein D (Gene Name=sdrD)

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