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Receptor
PDB id Resolution Class Description Source Keywords
3CXQ 2.3 Å EC: 2.3.1.4 CRYSTAL STRUCTURE OF HUMAN GLUCOSAMINE 6-PHOSPHATE N-ACETYLT 1 BOUND TO GLCN6P HOMO SAPIENS GLUCOSAMINE 6-PHOSPHATE N-ACETYLTRANSFERASE 1 ACYLTRANSFERAENDOSOME GOLGI APPARATUS MEMBRANE TRANSFERASE
Ref.: ACCEPTOR SUBSTRATE BINDING REVEALED BY CRYSTAL STRU HUMAN GLUCOSAMINE-6-PHOSPHATE N-ACETYLTRANSFERASE 1 FEBS LETT. V. 582 2973 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLP A:185;
Valid;
none;
submit data
259.151 C6 H14 N O8 P C([C@...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3CXQ 2.3 Å EC: 2.3.1.4 CRYSTAL STRUCTURE OF HUMAN GLUCOSAMINE 6-PHOSPHATE N-ACETYLT 1 BOUND TO GLCN6P HOMO SAPIENS GLUCOSAMINE 6-PHOSPHATE N-ACETYLTRANSFERASE 1 ACYLTRANSFERAENDOSOME GOLGI APPARATUS MEMBRANE TRANSFERASE
Ref.: ACCEPTOR SUBSTRATE BINDING REVEALED BY CRYSTAL STRU HUMAN GLUCOSAMINE-6-PHOSPHATE N-ACETYLTRANSFERASE 1 FEBS LETT. V. 582 2973 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3CXQ - GLP C6 H14 N O8 P C([C@@H]1[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3CXQ - GLP C6 H14 N O8 P C([C@@H]1[....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3CXQ - GLP C6 H14 N O8 P C([C@@H]1[....
2 4AG9 - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
3 2VXK - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
4 2VEZ Ki = 2.6 mM G6P C6 H13 O9 P C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLP; Similar ligands found: 35
No: Ligand ECFP6 Tc MDL keys Tc
1 GLP 1 1
2 4R1 1 1
3 RP5 0.634146 0.755102
4 ABF 0.634146 0.755102
5 HSX 0.634146 0.755102
6 GRF 0.604651 0.846154
7 BGP 0.590909 0.829787
8 G6P 0.590909 0.829787
9 M6P 0.590909 0.829787
10 M6D 0.590909 0.829787
11 A6P 0.590909 0.829787
12 BG6 0.590909 0.829787
13 AHG 0.560976 0.673077
14 3LJ 0.541667 0.77193
15 RF5 0.521739 0.679245
16 50A 0.521739 0.679245
17 16G 0.509434 0.867925
18 4QY 0.509434 0.867925
19 BMX 0.509434 0.867925
20 NNG 0.490566 0.867925
21 95Z 0.488372 0.729167
22 X6X 0.488372 0.729167
23 PA1 0.488372 0.729167
24 1GN 0.488372 0.729167
25 GCS 0.488372 0.729167
26 FDQ 0.469388 0.660377
27 RI2 0.46 0.72
28 G16 0.433962 0.795918
29 D6G 0.431373 0.795918
30 TEC 0.412698 0.62069
31 1FT 0.412698 0.722222
32 PPC 0.410714 0.698113
33 PRP 0.410714 0.74
34 T6P 0.410714 0.764706
35 N 0.408163 0.660377
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3CXQ; Ligand: GLP; 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: 3cxq.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3CXQ; Ligand: GLP; 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: 3cxq.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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