Structure of PDB 6rbf Chain D Binding Site BS01

Receptor Information
>6rbf Chain D (length=341) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APGTCSIYGSGHYITFDGKYYDFDGHCSYVAVQDYCGQNSSLGSFSIITE
NVPCGTTGVTCSKAIKIFMGRTELKLEDKHRVVIQRGHHVAYTTREVGQY
LVVESSTGIIVIWDKRTTVFIKLAPSYKGTVCGLCGNFDHRSNNDFTTRD
HMVVSSELDFGNSWKEAPTCPDVSTNPEPCSLNPHRRSWAEKQCSILKSS
VFSICHSKVDPKPFYEACVHDSCSCDTGGDCECFCSAVASYAQECTKEGA
CVFWRTPDLCPIFCDYYNPPHECEWHYEPCGNRSFETCRTINGSVSYLEG
CYPRCPDRPIYEEDLKKCVTADKCGCYVEDTHYPPGASVPT
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 chain6rbf Chain D Residue 1303 [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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PDB6rbf Intestinal Gel-Forming Mucins Polymerize by Disulfide-Mediated Dimerization of D3 Domains.
Resolution2.704 Å
Binding residue
(original residue number in PDB)		D872 N994 D996 R998 N1001 D1002
Binding residue
(residue number reindexed from 1)		D17 N137 D139 R141 N144 D145
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:6rbf, PDBe:6rbf, PDBj:6rbf
PDBsum6rbf
PubMed31310764
UniProtQ02817|MUC2_HUMAN Mucin-2 (Gene Name=MUC2)

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