Structure of PDB 3ppv Chain A Binding Site BS01

Receptor Information
>3ppv Chain A (length=184) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CSMVLDVAFVLEGSDKIGEADFNRSKEFMEEVIQRMDVGQDSIHVTVLQY
SYMVTVEYPFSEAQSKGDILQRVREIRYQGGNRTNTGLALRYLSDHSFLV
SQGDREQAPNLVYMVTGNPASDEIKRLPGDIQVVPIGVGPNANVQELERI
GWPNAPILIQDFETLPREAPDLVLQRCSSGEGLE
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 chain3ppv Chain A Residue 1683 [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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PDB3ppv A novel calcium-binding site of von Willebrand factor A2 domain regulates its cleavage by ADAMTS13
Resolution1.9 Å
Binding residue
(original residue number in PDB)		D1498 D1596 R1597 A1600 N1602
Binding residue
(residue number reindexed from 1)		D6 D104 R105 A108 N110
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:3ppv, PDBe:3ppv, PDBj:3ppv
PDBsum3ppv
PubMed21385852
UniProtP04275|VWF_HUMAN von Willebrand factor (Gene Name=VWF)

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