Structure of PDB 3vn4 Chain A Binding Site BS03

Receptor Information

>3vn4 Chain A (length=375) Species: 9606 (Homo sapiens)

DAQPGLYYSANEQCRVAFGPKAVACTFHLDMCQALSCHTDPLDQSSCSRL
LVPLLDGTECGVEKWCSKGRCRSLVELTPIAAVHGRWSSWGPRSPCSRSC
GGGVVTRRRQCNNPRPAFGGRACVGADLQAEMCNTQACEKTQLEFMSQQC
ARTDGQPLSFYHWGAAVSHSQGDALCRHMCRAIGESFIMKRGDSFLDGTR
CMPSGPREDGTLSLCVSGSCRTFGCDGRMDSQQVWDRCQVCGGDNSTCSP
RKGSFTAGRAREYVTFLTVTPNLTSVYIANHRPLFTHLAVRIGGRYVVAG
KMSISPNTTYPSLLEDGRVEYRVALTEDRLPRLEEIRIWGPLQEDADIQV
YRRYGEEYGNLTRPDITFTYFQPKP

Ligand information

• Ligand ID: BMA
• InChI: InChI=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
• InChIKey: WQZGKKKJIJFFOK-RWOPYEJCSA-N
• SMILES:
  CACTVS 3.341: OC[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(C(O1)O)O)O)O)O
  CACTVS 3.341: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: beta-D-mannopyranose;
  beta-D-mannose;
  D-mannose;
  mannose
• ZINC: ZINC000003830679
• PDB chain: 3vn4 Chain A Residue 905

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3vn4 Crystal structures of the noncatalytic domains of ADAMTS13 reveal multiple discontinuous exosites for von Willebrand factor
• Resolution: 2.8 Å
• Binding residue (original residue number in PDB): R386 W387
• Binding residue (residue number reindexed from 1): R86 W87
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 3.4.24.87: ADAMTS13 endopeptidase.

Gene Ontology

Biological Process

• GO:0030198 extracellular matrix organization

External links

• PDB: RCSB:3vn4, PDBe:3vn4, PDBj:3vn4
• PDBsum: 3vn4
• PubMed: 23621748
• UniProt: Q76LX8|ATS13_HUMAN A disintegrin and metalloproteinase with thrombospondin motifs 13 (Gene Name=ADAMTS13)