Structure of PDB 3vn4 Chain A Binding Site BS02

Receptor Information
>3vn4 Chain A (length=375) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DAQPGLYYSANEQCRVAFGPKAVACTFHLDMCQALSCHTDPLDQSSCSRL
LVPLLDGTECGVEKWCSKGRCRSLVELTPIAAVHGRWSSWGPRSPCSRSC
GGGVVTRRRQCNNPRPAFGGRACVGADLQAEMCNTQACEKTQLEFMSQQC
ARTDGQPLSFYHWGAAVSHSQGDALCRHMCRAIGESFIMKRGDSFLDGTR
CMPSGPREDGTLSLCVSGSCRTFGCDGRMDSQQVWDRCQVCGGDNSTCSP
RKGSFTAGRAREYVTFLTVTPNLTSVYIANHRPLFTHLAVRIGGRYVVAG
KMSISPNTTYPSLLEDGRVEYRVALTEDRLPRLEEIRIWGPLQEDADIQV
YRRYGEEYGNLTRPDITFTYFQPKP
Ligand information
Ligand IDBGC
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1
InChIKeyWQZGKKKJIJFFOK-VFUOTHLCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-glucopyranose;
beta-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL1614854
DrugBankDB02379
ZINCZINC000003833800
PDB chain3vn4 Chain C Residue 2 [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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PDB3vn4 Crystal structures of the noncatalytic domains of ADAMTS13 reveal multiple discontinuous exosites for von Willebrand factor
Resolution2.8 Å
Binding residue
(original residue number in PDB)		R398 C400 C438 F445 Q448
Binding residue
(residue number reindexed from 1)		R98 C100 C138 F145 Q148
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.24.87: ADAMTS13 endopeptidase.
Gene Ontology
Biological Process
GO:0030198 extracellular matrix organization

View graph for
Biological Process
External links
PDB RCSB:3vn4, PDBe:3vn4, PDBj:3vn4
PDBsum3vn4
PubMed23621748
UniProtQ76LX8|ATS13_HUMAN A disintegrin and metalloproteinase with thrombospondin motifs 13 (Gene Name=ADAMTS13)

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