Receptor
PDB id Resolution Class Description Source Keywords
3oyw 2.5 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF HUMAN GALECTIN-1 IN COMPLEX WITH THIODIGALACTOSIDE HOMO SAPIENS CARBOHYDRATE BINDING PROTEIN GALECTIN LACTOBIONIC ACID
Ref.: GALECTIN INHIBITORY DISACCHARIDES PROMOTE TUMOUR IM A BREAST CANCER MODEL CANCER LETT. 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
YIO GAL F:1;
E:1;
Valid;
Valid;
none;
none;
Kd = 78 uM
358.364 n/a S(C1C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3OYW 2.5 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF HUMAN GALECTIN-1 IN COMPLEX WITH THIODIGALACTOSIDE HOMO SAPIENS CARBOHYDRATE BINDING PROTEIN GALECTIN LACTOBIONIC ACID
Ref.: GALECTIN INHIBITORY DISACCHARIDES PROMOTE TUMOUR IM A BREAST CANCER MODEL CANCER LETT. 2010
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 3OYW Kd = 78 uM YIO GAL n/a n/a
2 2ZKN - BGC GAL n/a n/a
3 3T2T - MQT C17 H22 O8 Cc1ccc(cc1....
4 3OY8 Kd = 220 uM GCO 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: YIO GAL; Similar ligands found: 28
No: Ligand ECFP6 Tc MDL keys Tc
1 YIO GAL 1 1
2 QWJ 0.608696 0.918919
3 SGC BGC 0.568182 0.971429
4 IPT 0.552632 0.810811
5 MA1 GLC 0.543478 1
6 SGC SGC BGC 0.520833 0.971429
7 U2A BGC 0.520833 0.894737
8 Z4R MAN 0.510204 0.894737
9 SSG SGC SSG GLC 0.5 1
10 MA3 SGC SSG SSG BGC 0.471698 0.894737
11 GTM SGC SGC BGC 0.471698 0.894737
12 MSX MAN 0.428571 0.944444
13 HTG 0.42 0.744186
14 SOG 0.411765 0.744186
15 7K2 0.407407 0.75
16 GLC GLC 0.405405 0.771429
17 GAL 0.405405 0.771429
18 GXL 0.405405 0.771429
19 WOO 0.405405 0.771429
20 ALL 0.405405 0.771429
21 BMA 0.405405 0.771429
22 GLC 0.405405 0.771429
23 BGC GAL 0.405405 0.771429
24 MAN 0.405405 0.771429
25 BGC 0.405405 0.771429
26 GLA 0.405405 0.771429
27 GAL GAL 0.405405 0.771429
28 GIV 0.405405 0.771429
Similar Ligands (3D)
Ligand no: 1; Ligand: YIO GAL; Similar ligands found: 18
No: Ligand Similarity coefficient
1 TWJ SDY 0.9343
2 GLC GAL 0.9301
3 MHD GAL 0.9241
4 GAL BGC 0.9075
5 FRU GAL 0.9055
6 BGC BGC 0.8926
7 ISX 0.8795
8 GLA GLA 0.8769
9 145 0.8769
10 MBG GAL 0.8742
11 BK1 0.8717
12 GLC BGC 0.8660
13 GLC GLA 0.8639
14 BGC GLA 0.8603
15 XYS XYP 0.8582
16 NGA GAL 0.8576
17 56N 0.8546
18 BGC GLC 0.8507
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3OYW; Ligand: YIO 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: 3oyw.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3OYW; Ligand: YIO GAL; Similar sites found with APoc: 3
This union binding pocket(no: 2) in the query (biounit: 3oyw.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 3VV1 FUC GAL 38.0597
2 3VV1 FUC GAL 38.0597
3 5H9P TD2 48.5075
APoc FAQ
Feedback