Structure of PDB 7qcu Chain A Binding Site BS01

Receptor Information
>7qcu Chain A (length=443) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PECPDTWWLCDCFMATCKYNNTVEIVKVECEPPPMPTCSNGLQPVRVEDP
DGCCWHWECDCYCTGWGDPHYVTFDGLYYSYQGNCTYVLVEEISPSVDNF
GVYIDNYHCDPNDKVSCPRTLIVRHETQEVLIKTVHMMPMQVQVQAVALP
YKKYGLEVYQSGINYVVDIPELGVLVSYNGLSFSVRLPYHRFGNNTKGQC
GTCTNTTSDDCILPSGEIVSNCEAAADQWLVNDPSKPHCPDCTPSPLCQL
IKDSLFAQCHALVPPQHYYDACVFDSCFMPGSSLECASLQAYAALCAQQN
ICLDWRNHTHGACLVECPSHREYQACGPAEEPTCKSSSSQQNNTVLVEGC
FCPEGTMNYAPGFDVCVKTCGCVGPDNVPREFGEHFEFDCKNCVCLEGGS
GIICQPKRCSQKPVTHCVEDGTYLATEVNPADTCCNITVCKCN
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 chain7qcu Chain A Residue 5201 [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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PDB7qcu Structural Characterization of Mucin2 C-terminal region
Resolution3.25 Å
Binding residue
(original residue number in PDB)		D4444 T4575 T4577 T4579 D4582 D4583
Binding residue
(residue number reindexed from 1)		D75 T202 T204 T206 D209 D210
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7qcu, PDBe:7qcu, PDBj:7qcu
PDBsum7qcu
PubMed37031240
UniProtQ02817|MUC2_HUMAN Mucin-2 (Gene Name=MUC2)

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