-->
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
473.475 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 510 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 391 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 298 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: 59
No: Ligand ECFP6 Tc MDL keys Tc
1 GAL A2G MBN 1 1
2 A2G SER GAL 0.607595 0.849057
3 NGA SER GAL 0.607595 0.849057
4 GAL TNR 0.607595 0.849057
5 GAL SER A2G 0.607595 0.849057
6 GAL MGC 0.597222 0.918367
7 A2G GAL 0.554054 0.957447
8 GAL NGA 0.554054 0.957447
9 GAL A2G 0.554054 0.957447
10 NPO A2G GAL 0.528736 0.746032
11 GAL A2G NPO 0.528736 0.746032
12 CG3 A2G GAL 0.52809 0.734375
13 NAG A2G GAL 0.523256 0.9
14 GAL NAG GAL GLC 0.505747 0.957447
15 BGC GAL NAG GAL 0.505747 0.957447
16 GAL A2G THR 0.5 0.884615
17 GAL NGA GLA BGC GAL 0.483516 0.957447
18 GAL NDG 0.474359 0.957447
19 NLC 0.474359 0.957447
20 NDG GAL 0.474359 0.957447
21 THR NGA GAL NAG 0.469388 0.884615
22 GAL NDG FUC 0.465116 0.9375
23 MAG FUC GAL 0.465116 0.938776
24 FUC NDG GAL 0.465116 0.9375
25 MAN BMA NAG 0.458824 0.957447
26 GLA GAL NAG 0.458824 0.957447
27 8VZ 0.455696 0.882353
28 GAL NAG GAL FUC 0.451613 0.9375
29 GLA NAG GAL FUC 0.451613 0.9375
30 1GN ACY GAL ACY 1GN BGC GAL BGC 0.44898 0.9
31 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.44898 0.9
32 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.445545 0.901961
33 GAL LOG 0.440476 0.807018
34 NAG BMA 0.439024 0.862745
35 DR3 0.438202 0.9375
36 FUC NAG GAL 0.438202 0.865385
37 GAL NAG GAL 0.428571 0.918367
38 GLC NAG GAL GAL FUC 0.425743 0.9375
39 FUC GAL NAG GAL BGC 0.425743 0.9375
40 GAL GLC NAG GAL FUC 0.425743 0.9375
41 GAL NGA A2G 0.425287 0.9
42 NAG GAL GAL NAG 0.419355 0.9
43 GAL NAG GAL NAG GAL NAG 0.419355 0.92
44 NAG GAL GAL NAG GAL 0.419355 0.9
45 GLA GAL NAG FUC GAL GLC 0.419048 0.9375
46 FUC NAG GLA GAL 0.418367 0.918367
47 4UZ 0.416667 0.877551
48 GAL NAG MAN 0.41573 0.957447
49 GLC GAL NAG GAL 0.414894 0.957447
50 LAT NAG GAL 0.414894 0.957447
51 GAL BGC NAG GAL 0.413043 0.957447
52 NAG NGA 0.404762 0.9
53 NAG A2G 0.404762 0.9
54 GAL NOK 0.402299 0.77193
55 GAL GC2 0.402174 0.666667
56 GAL NAG GAL BGC 0.402062 0.918367
57 LEC NGA 0.402062 0.734375
58 9PH 0.401961 0.656716
59 NAG BDP NAG BDP NAG BDP NAG 0.4 0.901961
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 with APoc: 30
This union binding pocket(no: 1) in the query (biounit: 1jlx.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 5M90 JIF 2.31023
2 4TW7 37K 2.34375
3 5MR6 FAD 2.64026
4 2WKQ FMN 2.64026
5 3R7F CP 3.30033
6 4B74 1LH 3.63036
7 5T0B SIA GAL NAG 3.88889
8 3AY6 NAI 4.08922
9 4L2I NAD 4.56274
10 5X7Q ACR 4.62046
11 1N1D C2G 4.65116
12 1W8D NAP 5.29801
13 2V0U FMN 5.47945
14 6AOV SIA GAL NAG GAL NAG 5.74713
15 4WAS NAP 5.94059
16 2PR5 FMN 6.06061
17 3A28 NAD 6.20155
18 3HRD MCN 6.25
19 2EIX FAD 7.40741
20 1FKB RAP 7.47664
21 4P7U 1PS 8.03571
22 5DKK FMN 8.96552
23 1I1D 16G 9.93789
24 1I1D COA 9.93789
25 5EFW FMN 10
26 3Q9O NAD 10.231
27 2FYU FDN 11.2903
28 2Z6D FMN 11.5385
29 6C0B MLI 14.5215
30 5DJU FMN 19.6721
Pocket No.: 2; Query (leader) PDB : 1JLX; Ligand: GAL A2G MBN; Similar sites found with APoc: 14
This union binding pocket(no: 2) in the query (biounit: 1jlx.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 5VAD 91Y 2.64026
2 2GJ5 VD3 3.08642
3 5ME4 HP4 4.0146
4 2PT9 2MH 4.9505
5 6GBV FMN 5.47945
6 2FNA ADP 5.94059
7 1JJE BYS 6.30631
8 1OJ4 ANP 7.06714
9 3L9R L9R 7.14286
10 4Q9M 2ZW 7.72358
11 4Q9M FPP 7.72358
12 2Q7D ANP 8.25082
13 1OYF MHN 8.26446
14 5N26 CPT 10.4396
APoc FAQ
Feedback