Receptor
PDB id Resolution Class Description Source Keywords
1G6I 1.59 Å EC: 3.2.1.113 CRYSTAL STRUCTURE OF THE YEAST ALPHA-1,2-MANNOSIDASE WITH BO DEOXYMANNOJIRIMYCIN AT 1.59 A RESOLUTION SACCHAROMYCES CEREVISIAE ALPHA-ALPHA7 BARREL HYDROLASE
Ref.: STRUCTURE AND FUNCTION OF CLASS I A1,2-MANNOSIDASES IN GLYCOPROTEIN BIOSYNTHESIS. CARBOHYDRATE BIOENGINEERING. 28 2002 INTERDISCIPLINARY APPROACHES.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:1001;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
DMJ A:1002;
Valid;
none;
submit data
163.172 C6 H13 N O4 C1[C@...
NAG NDG BMA MAN MAN MAN MAN A:550;
Part of Protein;
none;
submit data n/a n/a n/a n/a
NAG NAG BMA MAN MAN A:1201;
Part of Protein;
none;
submit data
910.826 n/a O=C(N...
NAG A:1200;
Part of Protein;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1DL2 1.54 Å EC: 3.2.1.113 CRYSTAL STRUCTURE OF CLASS I ALPHA-1,2-MANNOSIDASE FROM SACC CEREVISIAE AT 1.54 ANGSTROM RESOLUTION SACCHAROMYCES CEREVISIAE ALPHA-ALPHA HELIX BARREL HYDROLASE
Ref.: CRYSTAL STRUCTURE OF A CLASS I ALPHA1,2-MANNOSIDASE IN N-GLYCAN PROCESSING AND ENDOPLASMIC RETICULUM QU CONTROL. EMBO J. V. 19 581 2000
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1DL2 - NDG NAG NDG BMA MAN MAN MAN MAN n/a n/a
2 1G6I - DMJ C6 H13 N O4 C1[C@H]([C....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1DL2 - NDG NAG NDG BMA MAN MAN MAN MAN n/a n/a
2 1G6I - DMJ C6 H13 N O4 C1[C@H]([C....
50% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5KKB - BMA NAG MAN MAN MAN MAN MAN MAN MAN n/a n/a
2 2RI9 Ki = 0.6 mM MMA LDY n/a n/a
3 1KRE - DMJ C6 H13 N O4 C1[C@H]([C....
4 5KIJ - NAG BMA MAN MAN MAN MAN MAN MAN MAN n/a n/a
5 1FO2 ic50 = 20 uM DMJ C6 H13 N O4 C1[C@H]([C....
6 1FO3 ic50 = 0.2 uM KIF C8 H12 N2 O6 C([C@@H]1[....
7 5KK7 - SMD C13 H24 O10 S CO[C@@H]1[....
8 1DL2 - NDG NAG NDG BMA MAN MAN MAN MAN n/a n/a
9 1G6I - DMJ C6 H13 N O4 C1[C@H]([C....
10 1X9D Kd = 110 uM SMD C13 H24 O10 S CO[C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DMJ; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 NOJ 1 1
2 DGJ 1 1
3 DMJ 1 1
4 IMR 0.703704 0.853659
5 EDG 0.703704 0.853659
6 1AB 0.703704 0.853659
7 LDU 0.703704 0.853659
8 HQ6 0.454545 0.765957
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1DL2; Ligand: NAG NAG BMA; 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: 1dl2.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1DL2; Ligand: NAG; 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: 1dl2.bio1) has 5 residues
No: Leader PDB Ligand Sequence Similarity
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