Structure of PDB 6tm2 Chain A Binding Site BS02

Receptor Information
>6tm2 Chain A (length=708) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NVCSTWGNFHYKTFDGDVFRFPGLCDYNFASDCRGSYKEFAVHLKRGPGQ
AEAPAGVESILLTIKDDTIYLTRHLAVLNGAVVSTPHYSPGLLIEKSDAY
TKVYSRAGLTLMWNREDALMLELDTKFRNHTCGLCGDYNGLQSYSEFLSD
GVLFSPLEFGNMQKINQPDVVCEDPEEEVAPASCSEHRAECERLLTAEAF
ADCQDLVPLEPYLRACQQDRCRCPGGDTCVCSTVAEFSRQCSHAGGRPGN
WRTATLCPKTCPGNLVYLESGSPCMDTCSHLEVSSLCEEHRMDGCFCPEG
TVYDDIGDSGCVPVSQCHCRLHGHLYTPGQEITNDCEQCVCNAGRWVCKD
LPCPGTCALEGGSHITTFDGKTYTFHGDCYYVLAKGDHNDSYALLGELAP
CGSTDKQTCLKTVVLLADKKKNAVVFKSDGSVLLNQLQVNLPHVTASFSV
FRPSSYHIMVSMAIGVRLQVQLAPVMQLFVTLDQASQGQVQGLCGNFNGL
EGDDFKTASGLVEATGAGFANTWKAQSTCHDKLDWLDDPCSLNIESANYA
EHWCSLLKKTETPFGRCHSAVDPAEYYKRCKYDTCNCQNNEDCLCAALSS
YARACTAKGVMLWGWREHVCNKDVGSCPNSQVFLYNLTTCQQTCRSLSEA
DSHCLEGFAPVDGCGCPDHTFLDEKGRCVPLAKCSCYGLYLEAGDVVRCV
CRDGRLHC
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 chain6tm2 Chain A Residue 2002 [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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PDB6tm2 Assembly Mechanism of Mucin and von Willebrand Factor Polymers.
Resolution2.95 Å
Binding residue
(original residue number in PDB)
D171 N173 L175 E180
Binding residue
(residue number reindexed from 1)
D137 N139 L141 E146
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:6tm2, PDBe:6tm2, PDBj:6tm2
PDBsum6tm2
PubMed33031746
UniProtQ02817|MUC2_HUMAN Mucin-2 (Gene Name=MUC2)

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