Receptor
PDB id Resolution Class Description Source Keywords
1NWG 2.32 Å EC: 2.4.1.22 BETA-1,4-GALACTOSYLTRANSFERASE COMPLEX WITH ALPHA- LACTALBUMIN AND N-BUTANOYL-GLUCOAMINE MUS MUSCULUS ALPHA-LACTALBUMIN; BETA14-GALACTOSYLTRANSFERASE; N- BUTANOYL-GLUCOAMINE TRANSFERASE ACTIVATOR/TRANSFERASE COMPLEX
Ref.: ALPHA-LACTALBUMIN (LA) STIMULATES MILK BETA-1,4-GALACTOSYLTRANSFERASE I (BETA 4GAL-T1) TO TRANSFER GLUCOSE FROM UDP-GLUCOSE TO N-ACETYLGLUCOSAMINE. CRYSTAL STRUCTURE OF BETA 4GAL-T1 X LA COMPLEX WITH UDP-GLC. J.BIOL.CHEM. V. 276 3766
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BGN B:403;
D:527;
Valid;
Valid;
none;
none;
submit data
249.261 C10 H19 N O6 CCCC(...
CA A:124;
C:526;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1YRO 1.9 Å EC: 2.4.1.22 CRYSTAL STRUCTURE OF BETA14,-GALACTOSYLTRANSFERASE MUTANT AR COMPLEX WITH ALPHA-LACTALBUMIN IN THE PRESENCE OF UDP-GALACM N MUS MUSCULUS ARG228LYS MUTATION; UDP-GAL COMPLEX TRANSFERASE ACTIVATOR- TRANSFERASE COMPLEX
Ref.: MUTATION OF ARGININE 228 TO LYSINE ENHANCES THE GLUCOSYLTRANSFERASE ACTIVITY OF BOVINE BETA-1,4-GALACTOSYLTRANSFERASE I BIOCHEMISTRY V. 44 3202 2005
Members (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1NHE - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
2 1YRO - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
3 1NF5 - BGC C6 H12 O6 C([C@@H]1[....
4 1O23 - GUD C15 H24 N2 O17 P2 C1=CN(C(=O....
5 2FYC - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
6 1PZY - NAG C8 H15 N O6 CC(=O)N[C@....
7 1NMM - NAG C8 H15 N O6 CC(=O)N[C@....
8 1NWG - BGN C10 H19 N O6 CCCC(=O)N[....
9 2FYD - NGA C8 H15 N O6 CC(=O)N[C@....
10 1NKH - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
11 1OQM - UD2 C17 H27 N3 O17 P2 CC(=O)N[C@....
12 1NQI - NAG C8 H15 N O6 CC(=O)N[C@....
70% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1NHE - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
2 1YRO - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
3 1NF5 - BGC C6 H12 O6 C([C@@H]1[....
4 1O23 - GUD C15 H24 N2 O17 P2 C1=CN(C(=O....
5 2FYC - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
6 1PZY - NAG C8 H15 N O6 CC(=O)N[C@....
7 1NMM - NAG C8 H15 N O6 CC(=O)N[C@....
8 1NWG - BGN C10 H19 N O6 CCCC(=O)N[....
9 2FYD - NGA C8 H15 N O6 CC(=O)N[C@....
10 1NKH - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
11 1OQM - UD2 C17 H27 N3 O17 P2 CC(=O)N[C@....
12 1NQI - NAG C8 H15 N O6 CC(=O)N[C@....
50% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1NHE - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
2 1YRO - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
3 1NF5 - BGC C6 H12 O6 C([C@@H]1[....
4 1O23 - GUD C15 H24 N2 O17 P2 C1=CN(C(=O....
5 2FYC - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
6 1PZY - NAG C8 H15 N O6 CC(=O)N[C@....
7 1NMM - NAG C8 H15 N O6 CC(=O)N[C@....
8 1NWG - BGN C10 H19 N O6 CCCC(=O)N[....
9 2FYD - NGA C8 H15 N O6 CC(=O)N[C@....
10 1NKH - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
11 1OQM - UD2 C17 H27 N3 O17 P2 CC(=O)N[C@....
12 1NQI - NAG C8 H15 N O6 CC(=O)N[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BGN; Similar ligands found: 16
No: Ligand ECFP6 Tc MDL keys Tc
1 BGN 1 1
2 A2G 0.638298 0.888889
3 HSQ 0.638298 0.888889
4 BM3 0.638298 0.888889
5 NGA 0.638298 0.888889
6 NAG 0.638298 0.888889
7 NDG 0.638298 0.888889
8 4V5 0.583333 0.857143
9 SIZ 0.576923 0.8125
10 STZ 0.563636 0.6
11 YX1 0.545455 0.6
12 9C1 0.508772 0.795918
13 BG8 0.47541 0.8125
14 MQG 0.436364 0.637931
15 4UZ 0.432836 0.730769
16 SNG 0.413793 0.78
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1YRO; Ligand: GDU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1yro.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1YRO; Ligand: UDP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1yro.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1YRO; Ligand: UDP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1yro.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1YRO; Ligand: GDU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1yro.bio2) has 38 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback