Receptor
PDB id Resolution Class Description Source Keywords
1SLB 2.3 Å NON-ENZYME: BINDING X-RAY CRYSTALLOGRAPHY REVEALS CROSSLINKING OF MAMMALIAN LECT (GALECTIN-1) BY BIANTENNARY COMPLEX TYPE SACCHARIDES BOS TAURUS COMPLEX(LECTIN-SACCHARIDE) COMPLEX(LECTIN-SACCHARIDE) COMPL
Ref.: CROSSLINKING OF MAMMALIAN LECTIN (GALECTIN-1) BY CO BIANTENNARY SACCHARIDES. NAT.STRUCT.BIOL. V. 1 863 1994
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MAN MAN MAN NAG GAL NAG GAL F:1;
 Valid;
 none;
 submit data
n/a n/a
NAG BMA MAN MAN NAG GAL NAG GAL E:1;
 Valid;
 none;
 submit data
1438.3 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1SLT 1.9 Å NON-ENZYME: BINDING STRUCTURE OF S-LECTIN, A DEVELOPMENTALLY REGULATED VERTEBRAT GALACTOSIDE BINDING PROTEIN BOS TAURUS LECTIN
Ref.: STRUCTURE OF S-LECTIN, A DEVELOPMENTALLY REGULATED VERTEBRATE BETA-GALACTOSIDE-BINDING PROTEIN. PROC.NATL.ACAD.SCI.USA V. 91 1428 1994
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 1SLC - NAG BMA MAN MAN NAG GAL NAG GAL n/a n/a
2 1SLB - NAG BMA MAN MAN NAG GAL NAG GAL n/a n/a
3 1SLT - NDG GAL n/a n/a
4 1SLA - NAG BMA MAN MAN NAG GAL NAG GAL n/a n/a
70% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 4XBL Kd = 340 uM NAG GAL n/a n/a
2 4Y24 Kd = 0.22 uM TD2 C28 H30 F2 N6 O8 S c1cc(cc(c1....
3 3OYW Kd = 78 uM YIO GAL n/a n/a
4 2ZKN - BGC GAL n/a n/a
5 3T2T - MQT C17 H22 O8 Cc1ccc(cc1....
6 3OY8 Kd = 220 uM GCO GAL n/a n/a
7 1SLC - NAG BMA MAN MAN NAG GAL NAG GAL n/a n/a
8 1SLB - NAG BMA MAN MAN NAG GAL NAG GAL n/a n/a
9 1SLT - NDG GAL n/a n/a
10 1SLA - NAG BMA MAN MAN NAG GAL NAG GAL n/a n/a
50% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 6E20 - NDG GAL n/a n/a
2 1C1L - BGC GAL n/a n/a
3 2YMZ Ka = 6000 M^-1 BGC GAL n/a n/a
4 3OYW Kd = 78 uM YIO GAL n/a n/a
5 2ZKN - BGC GAL n/a n/a
6 1GAN - NDG GAL n/a n/a
7 1WLW - GLC GAL n/a n/a
8 1IS3 - BGC GAL n/a n/a
9 1SLC - NAG BMA MAN MAN NAG GAL NAG GAL n/a n/a
10 1SLB - NAG BMA MAN MAN NAG GAL NAG GAL n/a n/a
11 1SLT - NDG GAL n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: MAN MAN MAN NAG GAL NAG GAL; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Ligand no: 2; Ligand: NAG BMA MAN MAN NAG GAL NAG GAL; Similar ligands found: 107
No: Ligand ECFP6 Tc MDL keys Tc
1 NAG BMA MAN MAN NAG GAL NAG GAL 1 1
2 NDG BMA MAN MAN NAG GAL NAG 0.945055 1
3 NAG NAG BMA MAN MAN NAG GAL NAG 0.934783 1
4 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.894737 0.979592
5 NAG BMA MAN MAN MAN MAN MAN MAN MAN MAN 0.827957 0.918367
6 NAG NAG MAN MAN MAN 0.784946 0.979592
7 NDG BMA MAN MAN NAG MAN MAN 0.78 0.979592
8 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.760417 0.918367
9 BMA MAN MAN NAG GAL NAG 0.744898 0.979592
10 NAG NAG BMA MAN NAG 0.734043 1
11 NAG GAL NAG GAL 0.719101 0.979592
12 NAG GAL NAG GAL NAG GAL 0.719101 1
13 BGC GAL NAG NAG GAL GAL 0.693878 0.979592
14 NAG NAG BMA MAN MAN NAG NAG 0.682243 0.924528
15 NAG NAG BMA MAN MAN MAN MAN 0.669725 0.90566
16 NAG NAG FUL BMA MAN MAN NAG GAL 0.663717 0.924528
17 NAG BMA MAN MAN MAN MAN 0.663265 0.918367
18 C4W NAG FUC BMA MAN MAN NAG GAL NAG 0.652542 0.844828
19 NAG GAL GAL 0.629214 0.918367
20 C4W NAG FUC BMA MAN MAN NAG 0.627119 0.942308
21 C4W NAG FUC BMA MAN MAN NAG NAG 0.623932 0.942308
22 NAG ASN NAG BMA MAN MAN NAG NAG 0.62069 0.890909
23 ALA ASN LYS NAG NAG BMA MAN MAN NAG NAG 0.62069 0.907407
24 MAN MAN MAN NAG NAG 0.612245 0.979592
25 NAG GAL NAG 0.595745 0.979592
26 GAL NAG GAL NAG GAL 0.59375 0.979592
27 NAG GAL 0.581395 0.918367
28 MAN NAG GAL 0.580645 0.918367
29 C4W NAG FUC BMA MAN NAG GAL 0.564103 0.844828
30 GAL NAG GAL 0.557895 0.918367
31 NAG GAL BGC GAL 0.556701 0.918367
32 YZ0 MAN MAN NAG MAN 0.556604 0.92
33 NAG NAG NAG NAG NAG NAG NAG NAG 0.554348 1
34 NAG NAG NAG NAG NAG NAG 0.554348 1
35 NAG NAG NAG NAG NAG 0.554348 1
36 NDG NAG NAG NAG NAG 0.554348 1
37 NAG GAL FUC A2G 0.541667 0.938776
38 C4W NAG FUC BMA MAN NAG 0.537815 0.942308
39 BGC FUC GAL NAG GAL 0.537037 0.938776
40 NAG NAG BMA MAN 0.533333 0.90566
41 MAN BMA MAN MAN MAN MAN MAN 0.528846 0.68
42 NAG NAG NAG TMX 0.525253 0.844828
43 C4W NAG FUC BMA MAN 0.521739 0.942308
44 NAG GAL NAG GAL SIA 0.511811 0.924528
45 GDL NAG 0.51087 0.979592
46 NAG G6S 0.510204 0.707692
47 MAN MAN MAN MAN MAN MAN MAN 0.509804 0.673469
48 NAG GAL FUC GLA 0.509615 0.938776
49 BGC GAL GLA NGA 0.504854 0.918367
50 BGC GAL NAG GAL FUC 0.5 0.938776
51 BGC GAL NAG 0.5 0.918367
52 BGC GAL NAG GAL FUC FUC 0.495575 0.959184
53 MAN AML MAN MAN MAN MAN MAN MAN MAN 0.495413 0.618182
54 1GN ACY GAL 1GN BGC ACY GAL BGC 0.495413 0.979592
55 MMA MAN NAG MAN NAG NAG 0.495327 0.98
56 BMA Z4Y NAG 0.495238 0.9
57 YZ0 MAN Z4Y NAG MAN 0.491667 0.867925
58 BGC GAL NAG GAL 0.490196 0.918367
59 NAG NAG BMA 0.490196 0.90566
60 C4W NAG FUC BMA MAN MAN NAG GAL SIA NAG 0.487013 0.803279
61 BGC GAL GLA NGA GAL 0.485714 0.918367
62 C4W NAG FUC BMA 0.482143 0.942308
63 MMA MAN NAG 0.48 0.92
64 NAG BMA MAN MAN MAN MAN MAN 0.466667 0.673077
65 A2G GAL NAG 0.461538 0.979592
66 GLC GAL NAG GAL FUC GLA 0.452991 0.938776
67 BGC GAL NAG GAL SIA 0.451128 0.924528
68 GLC GAL NAG GAL FUC A2G 0.446281 1
69 BGC GAL NGA 0.445545 0.918367
70 MAN MAN MAN GLC 0.443299 0.673469
71 BGC GAL NGA GAL 0.442308 0.918367
72 NAG GCU NAG GCD 0.434426 0.907407
73 BMA MAN NAG 0.432692 0.918367
74 NDG GLA GLC NAG GLC RAM 0.432 1
75 KDO MAN MAN MAN MAN MAN 0.432 0.673077
76 TVD GAL 0.431579 0.96
77 NDG NAG GLA NAG GLC RAM 0.430894 1
78 NDG GLA NAG GLC RAM 0.430894 1
79 MAN MAN NAG 0.428571 0.882353
80 NAG NAG BMA BMA 0.427273 0.907407
81 BMA NGT MAN MAN 0.424779 0.677966
82 NAG GAL FUC FUC 0.424528 0.959184
83 NDG FUC GAL FUC 0.424528 0.959184
84 NAG GAL UNU 0.422018 0.96
85 C4W NAG FUC BMA MAN NAG GAL SIA 0.421053 0.803279
86 BGC GAL GLA 0.421053 0.673469
87 NAG GAL FUC 0.419048 0.938776
88 BGC BGC BGC BGC BGC BGC BGC BGC 0.418367 0.673469
89 A2G GAL 0.416667 0.918367
90 BGC FUC GAL NAG 0.415929 0.938776
91 GAL NAG GAL FUC FUC 0.415929 0.959184
92 OPM MAN MAN 0.413462 0.607143
93 BGC GAL FUC A2G 0.408696 0.938776
94 BGC BGC BGC BGC 0.407767 0.673469
95 GLA NAG GAL FUC 0.405405 0.938776
96 BGC GLC GLC 0.40404 0.673469
97 MMA MAN MAN 0.40404 0.68
98 BGC GLC GLC GLC 0.401961 0.673469
99 GLC GLC GLC GLC GLC 0.401961 0.673469
100 NAG NAG NAG 0.401869 0.924528
101 NAG NAG NAG NAG 0.401869 0.924528
102 NAG NAG NAG NAG NAG NAG NAG 0.401869 0.924528
103 NAG GAL 5N6 0.4 0.907407
104 GAL NAG 0.4 0.918367
105 GYP GZL NAG 0.4 0.867925
106 NAG FUC GAL 0.4 0.938776
107 SN5 SN5 0.4 0.811321
Similar Ligands (3D)
Ligand no: 1; Ligand: MAN MAN MAN NAG GAL NAG GAL; Similar ligands found: 1
No: Ligand Similarity coefficient
1 MAN MAN MAN NAG GAL NAG GAL 1.0000
Ligand no: 2; Ligand: NAG BMA MAN MAN NAG GAL NAG GAL; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1SLT; Ligand: NDG GAL; Similar sites found with APoc: 3
This union binding pocket(no: 1) in the query (biounit: 1slt.bio3) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 3VV1 FUC GAL 35.0746
2 3VV1 FUC GAL 35.0746
3 5H9P TD2 45.5224
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