Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:500;
 Invalid;
 none;
 submit data
35.453 Cl [Cl-]
NDG GAL D:1;
C:1;
 Valid;
Valid;
 none;
none;
 submit data
383.35 n/a O(C1C...
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: NDG GAL; Similar ligands found: 33
No: Ligand ECFP6 Tc MDL keys Tc
1 NDG GAL 1 1
2 NAG GAL 0.507463 0.741379
3 GLC BGC FUC GAL 0.464789 0.607143
4 BGC FUC GAL 0.464789 0.607143
5 BGC GAL FUC GLA 0.461538 0.607143
6 BGC GAL FUC 0.452055 0.607143
7 GLC GAL BGC FUC 0.452055 0.607143
8 NAG GAL GAL 0.447368 0.741379
9 TVD GAL 0.442857 0.693548
10 BGC GAL NGA GAL 0.4375 0.741379
11 NGT GAL 0.432432 0.606061
12 NAG GAL BGC GAL 0.432099 0.741379
13 GAL FUC GAL 0.430556 0.607143
14 GAL NAG GAL 0.43038 0.741379
15 BGC GAL NAG GAL 0.426829 0.741379
16 GLC BGC G6D ACI 0.425287 0.655738
17 NAG BMA 0.424658 0.677419
18 BGC GLC AGL GLC GLC GLC 0.423529 0.728814
19 A2G GAL 0.422535 0.741379
20 MAN NAG GAL 0.417722 0.741379
21 ABL 0.414286 0.688525
22 NAG G6S 0.4125 0.638889
23 BGC GAL GLA NGA GAL 0.406977 0.741379
24 GLC GLC GLC G6D ACI GLC GLC 0.406593 0.655738
25 GLC GLC G6D ACI 0.406593 0.634921
26 BGC GAL NGA 0.405063 0.741379
27 NAG GAL NAG GAL 0.404762 0.704918
28 GAL NAG GAL NAG GAL 0.404762 0.704918
29 NAG GAL NAG GAL NAG GAL 0.404762 0.693548
30 NAG GAL FUC GLA 0.402299 0.728814
31 NAG FUC GAL 0.4 0.728814
32 NOY BGC 0.4 0.688525
33 NOJ GLC 0.4 0.603175
Similar Ligands (3D)
Ligand no: 1; Ligand: NDG GAL; Similar ligands found: 27
No: Ligand Similarity coefficient
1 NDG GCD 0.9497
2 GLC GAL 0.9259
3 BGC GAL 0.9207
4 GAL NOK 0.9131
5 NOK GAL 0.9131
6 GAL NGT 0.9117
7 MGC GAL 0.9038
8 LOG GAL 0.8947
9 GAL GAL 0.8924
10 NAG GC4 0.8909
11 BGC BGC 0.8893
12 NAG NAG 0.8890
13 GLC BGC 0.8879
14 SN5 SN5 0.8878
15 NDG NAG 0.8863
16 GAL GC2 0.8862
17 FRU GAL 0.8851
18 PA1 GCS 0.8850
19 NGA GCD 0.8812
20 NGA GAL 0.8805
21 BGC Z9D 0.8793
22 GAL NAG 0.8780
23 BGC SGA 0.8726
24 SHG BGC 0.8705
25 WAN 0.8660
26 BMA GAL 0.8658
27 GAL SO4 GAL 0.8604
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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