Structure of PDB 6tm2 Chain E Binding Site BS01

Receptor Information
>6tm2 Chain E (length=90) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CCLWSDWINEDHPSSGSDDGDRETFDGVCGAPEDIECRSVKDPHLSLEQH
GQKVQCDVSVGFICKNEDQFGNGPFGLCYDYKIRVNCCWP
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 E Residue 1501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6tm2 Assembly Mechanism of Mucin and von Willebrand Factor Polymers.
Resolution2.95 Å
Binding residue
(original residue number in PDB)		N1310 D1312 D1322 E1324 D1381 Y1382
Binding residue
(residue number reindexed from 1)		N9 D11 D21 E23 D80 Y81
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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