Structure of PDB 3ghm Chain A Binding Site BS01

Receptor Information
>3ghm Chain A (length=369) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AQPGLYYSANEQCRVAFGPKAVACMCQALSCHTDPLDQSSCSRLLVPLLD
GTECGVEKWCSKGRCRSLVELTPIAAVHGRWSSWGPRSPCSRSCGGGVVT
RRRQCNNPRPAFGGRACVGADLQAEMCNTQACEKTQLEFMSQQCARTDGQ
PLSFYHWGAAVPHSQGDALCRHMCRAIGESFIMKRGDSFLDGTRCMPSGP
REDGTLSLCVLGSCRTFGCDGRMDSQQVWDRCQVCGGDNSTCSPRKGSFT
AGRAREYVTFLTVTPNLTSVYIANHRPLFTHLAVRIGGRYVVAGKMSISP
NTTYPSLLEDGRVEYRVALTEDRLPRLEEIRIWGPLQEDADIQVYRRYGE
EYGNLTRPDITFTYFQPKP
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 chain3ghm 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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PDB3ghm Production, crystallization and preliminary crystallographic analysis of an exosite-containing fragment of human von Willebrand factor-cleaving proteinase ADAMTS13
Resolution2.6 Å
Binding residue
(original residue number in PDB)		R398 C400 F445 Q448
Binding residue
(residue number reindexed from 1)		R92 C94 F139 Q142
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:3ghm, PDBe:3ghm, PDBj:3ghm
PDBsum3ghm
PubMed
UniProtQ76LX8|ATS13_HUMAN A disintegrin and metalloproteinase with thrombospondin motifs 13 (Gene Name=ADAMTS13)

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