Receptor
PDB id Resolution Class Description Source Keywords
1JLX 2.2 Å NON-ENZYME: BINDING AGGLUTININ IN COMPLEX WITH T-DISACCHARIDE AMARANTHUS CAUDATUS COMPLEX (LECTIN/SACCHARIDE) T-DISACCHARIDE HOMODIMER BIVALENT LECTIN
Ref.: STRUCTURE OF BENZYL T-ANTIGEN DISACCHARIDE BOUND TO AMARANTHUS CAUDATUS AGGLUTININ. NAT.STRUCT.BIOL. V. 4 779 1997
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FOR A:0;
B:0;
Invalid;
Invalid;
none;
none;
submit data
30.026 C H2 O C=O
GAL A2G MBN A:304;
B:304;
Valid;
Valid;
none;
none;
ic50 = 1.6 uM
471.459 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1JLX 2.2 Å NON-ENZYME: BINDING AGGLUTININ IN COMPLEX WITH T-DISACCHARIDE AMARANTHUS CAUDATUS COMPLEX (LECTIN/SACCHARIDE) T-DISACCHARIDE HOMODIMER BIVALENT LECTIN
Ref.: STRUCTURE OF BENZYL T-ANTIGEN DISACCHARIDE BOUND TO AMARANTHUS CAUDATUS AGGLUTININ. NAT.STRUCT.BIOL. V. 4 779 1997
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 1JLX ic50 = 1.6 uM GAL A2G MBN n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 1JLX ic50 = 1.6 uM GAL A2G MBN n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 272 families.
1 1JLX ic50 = 1.6 uM GAL A2G MBN n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GAL A2G MBN; Similar ligands found: 52
No: Ligand ECFP6 Tc MDL keys Tc
1 GAL A2G MBN 1 1
2 GAL MGC 0.597222 0.9
3 GAL A2G THR 0.535714 0.921569
4 GAL A2G 0.533333 0.9375
5 A2G GAL 0.533333 0.9375
6 GAL NGA 0.533333 0.9375
7 GAL A2G NPO 0.528736 0.761905
8 NPO A2G GAL 0.528736 0.761905
9 CG3 A2G GAL 0.52809 0.75
10 GAL SER A2G 0.518072 0.901961
11 GAL TNR 0.518072 0.901961
12 NGA SER GAL 0.518072 0.901961
13 A2G SER GAL 0.518072 0.901961
14 GAL NAG GAL BGC 0.488636 0.9375
15 LAT NAG GAL 0.488636 0.9375
16 BGC GAL NAG GAL 0.488636 0.9375
17 GAL NGA A2G 0.487805 0.865385
18 GAL NGA GLA BGC GAL 0.467391 0.9375
19 GAL LOG 0.457831 0.793103
20 LOG GAL 0.457831 0.793103
21 8VZ 0.455696 0.865385
22 NDG GAL 0.455696 0.9375
23 NLC 0.455696 0.9375
24 GAL NDG 0.455696 0.9375
25 MAG FUC GAL 0.448276 0.92
26 MAN BMA NAG 0.44186 0.9375
27 NAG GAL GAL 0.44186 0.9375
28 GLA GAL NAG 0.44186 0.9375
29 GAL NDG FUC 0.431818 0.918367
30 FUC NDG GAL 0.431818 0.918367
31 GAL NAG FUC 0.431818 0.918367
32 FUC NAG GAL 0.431818 0.918367
33 NOK GAL 0.428571 0.803571
34 GAL NOK 0.428571 0.803571
35 NAG BMA 0.421687 0.846154
36 GAL NAG GAL FUC 0.421053 0.918367
37 GLA NAG GAL FUC 0.421053 0.918367
38 1GN ACY GAL ACY 1GN BGC GAL BGC 0.42 0.882353
39 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.42 0.882353
40 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.417476 0.884615
41 GAL NAG GAL 0.413043 0.9
42 FUC NAG 0.409639 0.897959
43 NAG GAL FUC 0.406593 0.918367
44 DR3 0.406593 0.918367
45 GAL NAG GAL NAG GAL NAG 0.404255 0.901961
46 NAG GAL GAL NAG GAL 0.404255 0.882353
47 NAG GAL GAL NAG 0.404255 0.882353
48 FUC NAG GLA GAL 0.40404 0.9
49 LEC NGA 0.402062 0.75
50 GAL NAG MAN 0.4 0.9375
51 MAN NAG GAL 0.4 0.9375
52 GLC GAL NAG GAL 0.4 0.9375
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1JLX; Ligand: GAL A2G MBN; Similar sites found: 15
This union binding pocket(no: 1) in the query (biounit: 1jlx.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4TW7 37K 0.02828 0.40842 2.34375
2 5MR6 FAD 0.01062 0.42638 2.64026
3 4B74 1LH 0.02856 0.40055 3.63036
4 4L2I NAD 0.04785 0.41294 4.56274
5 2VEZ G6P 0.01475 0.42906 4.73684
6 4WAS NAP 0.04685 0.40809 5.94059
7 3HRD MCN 0.03179 0.41421 6.25
8 2EIX FAD 0.03639 0.40289 7.40741
9 1FKB RAP 0.006696 0.4461 7.47664
10 5DKK FMN 0.02565 0.4012 8.96552
11 1I1D 16G 0.01206 0.43494 9.93789
12 1I1D COA 0.02234 0.41155 9.93789
13 5EFW FMN 0.02194 0.40513 10
14 3Q9O NAD 0.01523 0.41682 10.231
15 2Z6D FMN 0.02572 0.40094 11.5385
Pocket No.: 2; Query (leader) PDB : 1JLX; Ligand: GAL A2G MBN; Similar sites found: 4
This union binding pocket(no: 2) in the query (biounit: 1jlx.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4LOO SB4 0.02064 0.40536 1.32013
2 1JJE BYS 0.02688 0.40196 6.30631
3 1OJ4 ANP 0.01896 0.40514 7.06714
4 3L9R L9R 0.02415 0.42015 7.14286
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