Structure of PDB 7a5o Chain E Binding Site BS03

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 2003 [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)		D872 N994 D996 R998 N1001 D1002
Binding residue
(residue number reindexed from 1)		D794 N912 D914 R916 N919 D920
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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