Target Binding Site Detail

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Target General Information
Ligand General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T18779 Target Info
Target Name Mucin-1 (MUC1)
Synonyms Tumour-associated antigen mucin 1; Tumor-associated mucin; Tumor-associated epithelial membraneantigen; Tumor-associated epithelial membrane antigen; Polymorphic epithelial mucin; Peanut-reactive urinary mucin; PUM; PEMT; PEM; MUC-1; Krebs von den Lungen-6; KL-6; H23AG; Episialin; EMA; Carcinoma-associated mucin; Cancer antigen 15-3; CD227 antigen; CD227; CA 15-3; Breast carcinoma-associated antigen DF3
Target Type Clinical trial Target
Gene Name MUC1
UniProt ID
MUC1_HUMAN
Ligand General Information  Top
Ligand Name N-Acetyl-2-deoxy-2-amino-galactose Ligand Info
Canonical SMILES CC(=O)NC1C(C(C(OC1O)CO)O)O
InChI 1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8+/m1/s1
InChIKey OVRNDRQMDRJTHS-CBQIKETKSA-N
PubChem Compound ID 84265
Drug Binding Sites of Target  Top
PDB ID: 6KX1      Crystal structure of SN-101 mAb in complex with MUC1 glycopeptide
Method X-ray diffraction Resolution 1.77 Å Mutation No [1]
PDB Sequence
VTSAPDTRPA
10
Residue
Distance (Å)
PRO5
4.848
ASP6
4.738
THR7
1.399
Residue
Distance (Å)
ARG8
3.359
PRO9
2.196
PDB ID: 7Q4I      Crystal structure of DmC1GalT1 in complex with UDP-Mn2+ and the APD-TGalNAc-RP
Method X-ray diffraction Resolution 2.40 Å Mutation No [2]
PDB Sequence
APDTR
Residue
Distance (Å)
ALA1
4.468
PRO2
2.941
Residue
Distance (Å)
ASP3
4.730
THR4
1.382
References  Top
REF 1 A straightforward approach to antibodies recognising cancer specific glycopeptidic neoepitopes. doi:10.1039/D0SC00317D.
REF 2 Structural basis for the synthesis of the core 1 structure by C1GalT1. Nat Commun. 2022 May 3;13(1):2398.

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