Structure of PDB 7pp6 Chain E Binding Site BS01

Receptor Information

>7pp6 Chain E (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
CGSTDKQTCLKTVVLLADKKKNVVVFKSDGSVLLNELQVNLPHVTASFSV
FRPSSYHIMVSMAIGVRLQVQLAPVMQLFVTLDQASQGQVQGLCGNFNGL
EGDDFKTASGLVEATGAGFANTWKAQSSCHDKLDWLDDPCSLNIESANYA
EHWCSLLKKTETPFGRCHSAVDPAEYYKRCKYDTCNCQNNEDCLCAALSS
YARACTAKGVMLWGWREHVCNKDVGSCPNSQVFLYNLTTCQQTCRSLSEA
DSHCLEGFAPVDGCGCPDHTFLDEKGRCVPLAKCSCYGLYLEAGDVVRCV
CRDGRLHC

Ligand information

Ligand ID

InChI

InChI=1S/Ca/q+2

InChIKey

BHPQYMZQTOCNFJ-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Ca++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Ca+2]

Formula

Name

CALCIUM ION

PDB chain

7pp6 Chain E Residue 2001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	7pp6 Helical self-assembly of a mucin segment suggests an evolutionary origin for von Willebrand factor tubules.
Resolution	3.4 Å
Binding residue (original residue number in PDB)	D403 N530 N532 L534 D537 D538
Binding residue (residue number reindexed from 1)	D369 N496 N498 L500 D503 D504
Annotation score	4

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:7pp6, PDBe:7pp6, PDBj:7pp6
PDBsum	7pp6
PubMed	35377815
UniProt	Q02817\|MUC2_HUMAN Mucin-2 (Gene Name=MUC2)

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