Structure of PDB 3ghn Chain A Binding Site BS02

Receptor Information
>3ghn Chain A (length=371) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AQPGLYYSANEQCRVAFGPKAVACTDMCQALSCHTDPLDQSSCSRLLVPL
LDGTECGVEKWCSKGRCRSLVELTPIAAVHGRWSSWGPRSPCSRSCGGGV
VTRRRQCNNPRPAFGGRACVGADLQAEMCNTQACEKTQLEFMSQQCARTD
GQPLSFYHWGAAVPHSQGDALCRHMCRAIGESFIMKRGDSFLDGTRCMPS
GPREDGTLSLCVLGSCRTFGCDGRMDSQQVWDRCQVCGGDNSTCSPRKGS
FTAGRAREYVTFLTVTPNLTSVYIANHRPLFTHLAVRIGGRYVVAGKMSI
SPNTTYPSLLEDGRVEYRVALTEDRLPRLEEIRIWGPLQEDADIQVYRRY
GEEYGNLTRPDITFTYFQPKP
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 chain3ghn 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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PDB3ghn Production, crystallization and preliminary crystallographic analysis of an exosite-containing fragment of human von Willebrand factor-cleaving proteinase ADAMTS13
Resolution2.8 Å
Binding residue
(original residue number in PDB)		R398 C438 K440 F445 Q448
Binding residue
(residue number reindexed from 1)		R94 C134 K136 F141 Q144
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:3ghn, PDBe:3ghn, PDBj:3ghn
PDBsum3ghn
PubMed
UniProtQ76LX8|ATS13_HUMAN A disintegrin and metalloproteinase with thrombospondin motifs 13 (Gene Name=ADAMTS13)

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