Target Binding Site Detail

Content Navigation (  All   None )                                      
Target General Information
Ligand General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T16285 Target Info
Target Name Tracheobronchial mucin 5A (MUC5AC)
Synonyms Tracheobronchial mucin; TBM; Mucin5AC; Mucin5 subtype AC, tracheobronchial; Mucin-5AC; Mucin-5 subtype AC, tracheobronchial; Major airway glycoprotein; MUC5; MUC-5AC; Lewis B blood group antigen; LeB; Gastric mucin
Target Type Literature-reported Target
Gene Name MUC5AC
UniProt ID
MUC5A_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: 5AJO      Crystal structure of the inactive form of GalNAc-T2 in complex with the glycopeptide MUC5AC-3,13
Method X-ray diffraction Resolution 1.48 Å Mutation Yes [1]
PDB Sequence
AGTTPSPVPT
9
TSTTSAA
Residue
Distance (Å)
THR2
3.814
THR3
1.421
PRO4
3.595
SER5
2.537
PRO6
3.908
Residue
Distance (Å)
SER11
3.122
THR13
1.409
SER14
3.543
ALA15
3.395
PDB ID: 5AJP      Crystal structure of the active form of GalNAc-T2 in complex with UDP and the glycopeptide MUC5AC-13
Method X-ray diffraction Resolution 1.65 Å Mutation Yes [1]
PDB Sequence
TTPSPVPTTS
11
TTSAA
Residue
Distance (Å)
SER11
3.162
THR13
1.414
Residue
Distance (Å)
SER14
3.630
ALA15
3.310
PDB ID: 5AJN      Crystal structure of the inactive form of GalNAc-T2 in complex with the glycopeptide MUC5AC-Cys13
Method X-ray diffraction Resolution 1.67 Å Mutation Yes [1]
PDB Sequence
GTTPSPVPTT
10
STCSAA
Residue
Distance (Å)
SER11
3.253
CYS13
1.696
Residue
Distance (Å)
SER14
3.560
ALA15
3.383
References  Top
REF 1 Dynamic interplay between catalytic and lectin domains of GalNAc-transferases modulates protein O-glycosylation. Nat Commun. 2015 May 5;6:6937.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.