Receptor
PDB id Resolution Class Description Source Keywords
3LLZ 1.55 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE ANALYSIS OF MACLURA POMIFERA AGGLUTININ CO GAL-BETA-1,3-GALNAC MACLURA POMIFERA MACLURA POMIFERA AGGLUTININ MPA MPA COMPLEX GAL-BETA-1 3LECTIN SUGAR BINDING PROTEIN
Ref.: CHARACTERIZATION OF THE SECONDARY BINDING SITES OF POMIFERA AGGLUTININ BY GLYCAN ARRAY AND CRYSTALLOGR ANALYSES. GLYCOBIOLOGY V. 20 1643 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NGA GAL C:1;
Valid;
none;
Kd = 16 uM
n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3LLZ 1.55 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE ANALYSIS OF MACLURA POMIFERA AGGLUTININ CO GAL-BETA-1,3-GALNAC MACLURA POMIFERA MACLURA POMIFERA AGGLUTININ MPA MPA COMPLEX GAL-BETA-1 3LECTIN SUGAR BINDING PROTEIN
Ref.: CHARACTERIZATION OF THE SECONDARY BINDING SITES OF POMIFERA AGGLUTININ BY GLYCAN ARRAY AND CRYSTALLOGR ANALYSES. GLYCOBIOLOGY V. 20 1643 2010
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 3LLZ Kd = 16 uM NGA GAL n/a n/a
2 3LM1 Kd = 20 uM LEC C14 H18 N2 O8 CC(=O)N[C@....
70% Homology Family (17)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 3LLZ Kd = 16 uM NGA GAL n/a n/a
2 3LM1 Kd = 20 uM LEC C14 H18 N2 O8 CC(=O)N[C@....
3 4R6O Ka = 335000 M^-1 ZZ1 GLA n/a n/a
4 4R6N Ka = 150 M^-1 MBG C7 H14 O6 CO[C@H]1[C....
5 5JM1 - AMG C7 H14 O6 CO[C@@H]1[....
6 5J51 - GLA GLA n/a n/a
7 5J4T - MBG C7 H14 O6 CO[C@H]1[C....
8 1UGX Ka = 806000 M^-1 MGC GAL n/a n/a
9 4R6P Ka = 12900 M^-1 ZZ1 GAL n/a n/a
10 1PXD Ka = 6500 M^-1 SFP C44 H34 N4 O12 S4 c1c(ccc(c1....
11 4R6R Ka = 2370 M^-1 147 C12 H15 N O8 c1cc(ccc1[....
12 4AKB - GAL C6 H12 O6 C([C@@H]1[....
13 1KUJ - MMA C7 H14 O6 CO[C@@H]1[....
14 1JOT - A2G GAL n/a n/a
15 1JAC - AMG C7 H14 O6 CO[C@@H]1[....
16 1M26 - A2G GAL n/a n/a
17 1TOQ - AMG C7 H14 O6 CO[C@@H]1[....
50% Homology Family (20)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 3LLZ Kd = 16 uM NGA GAL n/a n/a
2 3LM1 Kd = 20 uM LEC C14 H18 N2 O8 CC(=O)N[C@....
3 4R6Q Ka = 77900 M^-1 NBZ GLA n/a n/a
4 5J4X - MBG GAL n/a n/a
5 4R6O Ka = 335000 M^-1 ZZ1 GLA n/a n/a
6 4R6N Ka = 150 M^-1 MBG C7 H14 O6 CO[C@H]1[C....
7 5JM1 - AMG C7 H14 O6 CO[C@@H]1[....
8 5J51 - GLA GLA n/a n/a
9 5J4T - MBG C7 H14 O6 CO[C@H]1[C....
10 1UGX Ka = 806000 M^-1 MGC GAL n/a n/a
11 4R6P Ka = 12900 M^-1 ZZ1 GAL n/a n/a
12 1PXD Ka = 6500 M^-1 SFP C44 H34 N4 O12 S4 c1c(ccc(c1....
13 4R6R Ka = 2370 M^-1 147 C12 H15 N O8 c1cc(ccc1[....
14 4AKC - A2G GAL n/a n/a
15 4AKB - GAL C6 H12 O6 C([C@@H]1[....
16 1KUJ - MMA C7 H14 O6 CO[C@@H]1[....
17 1JOT - A2G GAL n/a n/a
18 1JAC - AMG C7 H14 O6 CO[C@@H]1[....
19 1M26 - A2G GAL n/a n/a
20 1TOQ - AMG C7 H14 O6 CO[C@@H]1[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: NGA GAL; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: NGA GAL; Similar ligands found: 33
No: Ligand Similarity coefficient
1 NGA GAL 1.0000
2 A2G GAL 0.9798
3 MGC GAL 0.9539
4 NOK GAL 0.9463
5 GAL NOK 0.9463
6 NAG GAL 0.9460
7 NGA GCD 0.9412
8 LOG GAL 0.9410
9 NAG GAD 0.9259
10 NAG GCD 0.9259
11 NAG GC4 0.9197
12 NDG GAD 0.9187
13 NAG BDP 0.9133
14 BGC GAL 0.8996
15 GAL NGT 0.8989
16 NGT GAL 0.8989
17 MBG GAL 0.8960
18 GLC GAL 0.8910
19 GAL GLA 0.8845
20 GAL GAL 0.8844
21 NDG GAL 0.8805
22 NGA NAG 0.8800
23 FRU GAL 0.8776
24 BGC BGC 0.8747
25 NOY BGC 0.8729
26 BMA GAL 0.8712
27 IFM BMA 0.8660
28 PA1 GCS 0.8651
29 4WS GAL 0.8600
30 BMA BMA 0.8588
31 YIO GAL 0.8576
32 NG6 GCD 0.8531
33 GAL NAG 0.8512
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3LLZ; Ligand: NGA GAL; 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: 3llz.bio3) has 10 residues
No: Leader PDB Ligand Sequence Similarity
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