Structure of PDB 6qig Chain A Binding Site BS03

Receptor Information
>6qig Chain A (length=581) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ILHLELLVAVGPDVFQAHQEDTERYVLTNLNIGAELLRDPSLGAQFRVHL
VKMVILTEPEGAPNITANLTSSLLSVCGWSQTINPEDDTDPGHADLVLYI
TRFDLELPDGNRQVRGVTQLGGACSPTWSCLITEDTGFDLGVTIAHQIGH
SFGLEHDGAPGSGCGPSGHVMASDGAAPRAGLAWSPCSRRQLLSLLSAGR
ARCVWDPPRPQPGSAGHPPDAQPGLYYSANEQCRVAFGPKAVACTFAREH
LDMCQALSCHTDPLDQSSCSRLLVPLLDGTECGVEKWCSKGRCRSLVELT
PIAAVHGRWSSWGPRSPCSRSCGGGVVTRRRQCNNPRPAFGGRACVGADL
QAEMCNTQACEKTQLEFMSQQCARTHWGAAVPHSQGDALCRHMCRARGDS
FLDGTRCMPSGPREDGTLSLCVSGSCRTFGCDGRMDSQQVWDRCQVCGGD
NSTCSPRKGSFTAGRAREYVTFLTVTPNLTSVYIANHRPLFTHLAVRIGG
RYVVAGKMSISPNTTYPSLLEDGRVEYRVALTEDRLPRLEEIRIWGPLQE
DADIQVYRRYGEEYGNLTRPDITFTYFQPKP
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 chain6qig Chain A Residue 718 [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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PDB6qig Crystal structure and substrate-induced activation of ADAMTS13.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		E83 D166 D173 C281 D284
Binding residue
(residue number reindexed from 1)		E5 D88 D95 C203 D206
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.24.87: ADAMTS13 endopeptidase.
Gene Ontology
Molecular Function
GO:0004222 metalloendopeptidase activity
GO:0008237 metallopeptidase activity
Biological Process
GO:0006508 proteolysis
GO:0030198 extracellular matrix organization

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:6qig, PDBe:6qig, PDBj:6qig
PDBsum6qig
PubMed31439947
UniProtQ76LX8|ATS13_HUMAN A disintegrin and metalloproteinase with thrombospondin motifs 13 (Gene Name=ADAMTS13)

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