Structure of PDB 7qcl Chain B Binding Site BS04

Receptor Information
>7qcl Chain B (length=546) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PPECPDTWWLCDCFMATCKYNNTVEIVKVECEPPPMPTCSNGLQPVRVED
PDGCCWHWECDCYCTGWGDPHYVTFDGLYYSYQGNCTYVLVEEISPSVDN
FGVYIDNYHCDPNDKVSCPRTLIVRHETQEVLIKTVHMMPMQVQVQAVAL
PYKKYGLEVYQSGINYVVDIPELGVLVSYNGLSFSVRLPYHRFGNNTKGQ
CGTCTNTTSDDCILPSGEIVSNCEAAADQWLVNDPSKPHCPDCTPSPLCQ
LIKDSLFAQCHALVPPQHYYDACVFDSCFMPGSSLECASLQAYAALCAQQ
NICLDWRNHTHGACLVECPSHREYQACGPAEEPTCKSSSSQQNNTVLVEG
CFCPEGTMNYAPGFDVCVKTCGCVGPDNVPREFGEHFEFDCKNCVCLEGG
SGIICQPKRCSQKPVTHCVEDGTYLATEVNPADTCCNITVCKCNTSLCKE
KPSVCPLGFEVKSKMVPGRCCPFYWCESKGVCVHGNAEYQPGSPVYSSKC
QDCVCTDKVDNNTLLNVIACTHVPCNTSCSPGFELMEAPGECCKKC
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 chain7qcl Chain B Residue 5003 [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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PDB7qcl The intestinal MUC2 mucin C-terminus is stabilized by an extra disulfide bond in comparison to von Willebrand factor and other gel-forming mucins.
Resolution3.36 Å
Binding residue
(original residue number in PDB)		D4444 T4575 T4577 T4579 D4582 D4583
Binding residue
(residue number reindexed from 1)		D76 T203 T205 T207 D210 D211
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7qcl, PDBe:7qcl, PDBj:7qcl
PDBsum7qcl
PubMed37031240
UniProtQ02817|MUC2_HUMAN Mucin-2 (Gene Name=MUC2)

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