Structure of PDB 7pp6 Chain B Binding Site BS01

Receptor Information
>7pp6 Chain B (length=1148) 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
CGSTDKQTCLKTVVLLADKKKNVVVFKSDGSVLLNELQVNLPHVTASFSV
FRPSSYHIMVSMAIGVRLQVQLAPVMQLFVTLDQASQGQVQGLCGNFNGL
EGDDFKTASGLVEATGAGFANTWKAQSSCHDKLDWLDDPCSLNIESANYA
EHWCSLLKKTETPFGRCHSAVDPAEYYKRCKYDTCNCQNNEDCLCAALSS
YARACTAKGVMLWGWREHVCNKDVGSCPNSQVFLYNLTTCQQTCRSLSEA
DSHCLEGFAPVDGCGCPDHTFLDEKGRCVPLAKCSCYGLYLEAGDVVRCV
CRDGRLHCRALSCQTLAAGYYHVCPDGLMDDGRGGCVVEKECPCVHNNDL
YSSGAKIKVDCNTCTCKRGRWVCTQAVCHGTCSIYGSGHYITFDGKYYDF
DGHCSYVAVQDYCGLGSFSIITENVPCGTTGVTCSKAIKIFMGRTELKLE
DKHRVVIQRDEGHHVAYTTREVGQYLVVESSTGIIVIWDKRTTVFIKLAP
SYKGTVCGLCGNFDHRSNNDFTTRDHMVVSSELDFGNSWKEAPTCPDVST
NPEPCSLNPHRRSWAEKQCSILKSSVFSICHSKVDPKPFYEACVHDSCSC
DTGGDCECFCSAVASYAQECTKEGACVFWRTPDLCPIFCDYYNPPHECEW
HYEPCGNRSFETCRTINGIHSNISVSYLEGCYPRCPKDRPIYEEDLKKCV
TADKCGCYVEDTHYPPGASVPTEETCKSCVCTNSSQVVCRPEEGFCYW
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 chain7pp6 Chain B Residue 2001 [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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PDB7pp6 Helical self-assembly of a mucin segment suggests an evolutionary origin for von Willebrand factor tubules.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		N530 N532 L534 D537 D538
Binding residue
(residue number reindexed from 1)		N496 N498 L500 D503 D504
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7pp6, PDBe:7pp6, PDBj:7pp6
PDBsum7pp6
PubMed35377815
UniProtQ02817|MUC2_HUMAN Mucin-2 (Gene Name=MUC2)

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