Structure of PDB 7a5o Chain E Binding Site BS02

Receptor Information
>7a5o Chain E (length=1205) 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
CRDGRLHCRALSCQTLAAGYYHVCPDGLMDDGRGGCVVEKECPCVHNNDL
YSSGAKIKVDCNTCTCKRGRWVCTQAVCHGTCSIYGSGHYITFDGKYYDF
DGHCSYVAVQDYCGLGSFSIITENVPCGTTGVTCSKAIKIFMGRTELKLE
DKHRVVIQRDEGHHVAYTTREVGQYLVVESSTGIIVIWDKRTTVFIKLAP
SYKGTVCGLCGNFDHRSNNDFTTRDHMVVSSELDFGNSWKEAPTCPDVST
NPEPCSLNPHRRSWAEKQCSILKSSVFSICHSKVDPKPFYEACVHDSCSC
DTGGDCECFCSAVASYAQECTKEGACVFWRTPDLCPIFCDYYNPPHECEW
HYEPCGNRSFETCRTINGIHSNISVSYLEGCYPRCPKDRPIYEEDLKKCV
TADKCGCYVEDTHYPCCLWSDWINEDHPSSGSDDGDRETFDGVCGAPEDI
ECRSVKDPHLSLEQHGQKVQCDVSVGFICKNEDQFGNGPFGLCYDYKIRV
NCCWP
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 chain7a5o Chain E 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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PDB7a5o 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:7a5o, PDBe:7a5o, PDBj:7a5o
PDBsum7a5o
PubMed33031746
UniProtQ02817|MUC2_HUMAN Mucin-2 (Gene Name=MUC2)

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