Receptor
PDB id Resolution Class Description Source Keywords
1AX2 1.95 Å NON-ENZYME: BINDING ERYTHRINA CORALLODENDRON LECTIN IN COMPLEX WITH N-ACETYLLACT ERYTHRINA CORALLODENDRON LECTIN GLYCOPROTEIN
Ref.: STRUCTURES OF THE ERYTHRINA CORALLODENDRON LECTIN A COMPLEXES WITH MONO- AND DISACCHARIDES. J.MOL.BIOL. V. 277 917 1998
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:290;
 Part of Protein;
 none;
 submit data
40.078 Ca [Ca+2...
MN A:289;
 Part of Protein;
 none;
 submit data
54.938 Mn [Mn+2...
NAG FUC NAG BMA XYP MAN MAN B:1;
 Part of Protein;
 none;
 submit data
n/a n/a
NDG GAL C:1;
 Valid;
 none;
 Ka = 9730 M^-1
383.35 n/a O(C1C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1AX2 1.95 Å NON-ENZYME: BINDING ERYTHRINA CORALLODENDRON LECTIN IN COMPLEX WITH N-ACETYLLACT ERYTHRINA CORALLODENDRON LECTIN GLYCOPROTEIN
Ref.: STRUCTURES OF THE ERYTHRINA CORALLODENDRON LECTIN A COMPLEXES WITH MONO- AND DISACCHARIDES. J.MOL.BIOL. V. 277 917 1998
Members (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 1V00 - BGC GAL n/a n/a
2 3N3H - CIT C6 H8 O7 C(C(=O)O)C....
3 3N36 - GLA C6 H12 O6 C([C@@H]1[....
4 1AX0 Ka = 1340 M^-1 A2G C8 H15 N O6 CC(=O)N[C@....
5 1UZY - BGC GAL n/a n/a
6 1LTE - BGC GAL n/a n/a
7 1AX1 Ka = 1940 M^-1 BGC GAL n/a n/a
8 1AX2 Ka = 9730 M^-1 NDG GAL n/a n/a
9 1GZC Kd = 0.32 mM BGC GAL n/a n/a
10 3N35 - A2G C8 H15 N O6 CC(=O)N[C@....
11 1AXZ Ka = 1570 M^-1 GAL C6 H12 O6 C([C@@H]1[....
12 1GZ9 Kd = 0.31 mM BGC GAL FUC n/a n/a
70% Homology Family (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 1V00 - BGC GAL n/a n/a
2 3N3H - CIT C6 H8 O7 C(C(=O)O)C....
3 3N36 - GLA C6 H12 O6 C([C@@H]1[....
4 1AX0 Ka = 1340 M^-1 A2G C8 H15 N O6 CC(=O)N[C@....
5 1UZY - BGC GAL n/a n/a
6 1LTE - BGC GAL n/a n/a
7 1AX1 Ka = 1940 M^-1 BGC GAL n/a n/a
8 1AX2 Ka = 9730 M^-1 NDG GAL n/a n/a
9 1GZC Kd = 0.32 mM BGC GAL n/a n/a
10 3N35 - A2G C8 H15 N O6 CC(=O)N[C@....
11 1AXZ Ka = 1570 M^-1 GAL C6 H12 O6 C([C@@H]1[....
12 1GZ9 Kd = 0.31 mM BGC GAL FUC n/a n/a
13 2DTW - 2GS C7 H14 O6 CO[C@@H]1[....
14 1WBL - AMG C7 H14 O6 CO[C@@H]1[....
15 2ZMK - EGA GLA n/a n/a
16 2D3S - SER A2G n/a n/a
50% Homology Family (67)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 5T55 Kd = 0.68 nM BGC GAL GLA NGA n/a n/a
2 5T54 Kd = 0.87 nM GLA FUC A2G n/a n/a
3 5T5J Kd = 0.73 nM ACA SER SER VAL GLY A2G n/a n/a
4 5T52 Kd = 0.54 nM NGA C8 H15 N O6 CC(=O)N[C@....
5 5T5L Kd = 0.73 nM ACE SER SER VAL GLY A2G n/a n/a
6 5T5P Kd = 0.71 nM ACE SER THR VAL GLY A2G n/a n/a
7 1FNZ - A2G C8 H15 N O6 CC(=O)N[C@....
8 1S1A - MMA MAN n/a n/a
9 2ARB Ka = 26000 M^-1 MAN NAG n/a n/a
10 1N3Q - FRU GLC n/a n/a
11 2AR6 Ka = 63000 M^-1 MAN MAN MAN NAG NAG n/a n/a
12 1N3O - GYP C7 H14 O6 CO[C@@H]1[....
13 1N3P - GLC FRU n/a n/a
14 2ARX - MAN MAN n/a n/a
15 2ARE Ka = 1900 M^-1 MAN C6 H12 O6 C([C@@H]1[....
16 1LED - MAG GAL FUC FUC n/a n/a
17 1GSL - MAG FUC GAL FUC n/a n/a
18 1V00 - BGC GAL n/a n/a
19 3N3H - CIT C6 H8 O7 C(C(=O)O)C....
20 3N36 - GLA C6 H12 O6 C([C@@H]1[....
21 1AX0 Ka = 1340 M^-1 A2G C8 H15 N O6 CC(=O)N[C@....
22 1UZY - BGC GAL n/a n/a
23 1LTE - BGC GAL n/a n/a
24 1AX1 Ka = 1940 M^-1 BGC GAL n/a n/a
25 1AX2 Ka = 9730 M^-1 NDG GAL n/a n/a
26 1GZC Kd = 0.32 mM BGC GAL n/a n/a
27 3N35 - A2G C8 H15 N O6 CC(=O)N[C@....
28 1AXZ Ka = 1570 M^-1 GAL C6 H12 O6 C([C@@H]1[....
29 1GZ9 Kd = 0.31 mM BGC GAL FUC n/a n/a
30 3ZYR Kd = 4.6 uM NAG ASN NAG BMA MAN MAN NAG NAG n/a n/a
31 3ZVX - MAN MAN MAN n/a n/a
32 5U38 - MMA MAN n/a n/a
33 5KXE Kd = 5.45 uM 6Y2 C22 H31 N3 O13 CC(=O)N[C@....
34 5KXB - NGA C8 H15 N O6 CC(=O)N[C@....
35 5KXC - 6Y2 C22 H31 N3 O13 CC(=O)N[C@....
36 5KXD - 6Y2 C22 H31 N3 O13 CC(=O)N[C@....
37 4WV8 - GLC GAL n/a n/a
38 4U2A - A2G C8 H15 N O6 CC(=O)N[C@....
39 4U36 - SER A2G n/a n/a
40 1JXN - MFU C7 H14 O5 C[C@H]1[C@....
41 3WCS - MAN NAG GAL n/a n/a
42 3WOG - MAN NAG n/a n/a
43 5EYX - MMA MAN n/a n/a
44 5EYY - MMA MAN n/a n/a
45 2BQP - GLC C6 H12 O6 C([C@@H]1[....
46 5T7P - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
47 2DVA - MGC GAL n/a n/a
48 6VC4 Kd = 360 uM QWG C22 H37 N3 O14 S2 CO[C@@H]1[....
49 6VGF Kd = 180 uM WA3 C42 H68 N6 O27 S4 c1c(nnn1C[....
50 2DV9 - GAL GAL n/a n/a
51 1V6K - GLC GAL n/a n/a
52 1V6L - BGC GAL n/a n/a
53 2DVD - GAL GAL n/a n/a
54 6VC3 Kd = 482 uM QWJ C15 H24 O9 S2 C#CCSC[C@@....
55 2TEP - NGA GAL n/a n/a
56 6V95 Kd = 495 uM QSG C32 H48 N10 O20 c1c(nnn1[C....
57 6VAV Kd = 690 uM QTY C32 H48 N10 O16 c1c(nnn1[C....
58 2DVB - GAL C6 H12 O6 C([C@@H]1[....
59 1V6I - GLC GAL n/a n/a
60 6VAW Kd = 1563 uM S3W C20 H33 N5 O12 CO[C@@H]1[....
61 2PEL Ki = 1.37 mM BGC GAL n/a n/a
62 1G9F - GAL NAG GAL NAG GAL n/a n/a
63 2DTW - 2GS C7 H14 O6 CO[C@@H]1[....
64 1WBL - AMG C7 H14 O6 CO[C@@H]1[....
65 2ZMK - EGA GLA n/a n/a
66 2D3S - SER A2G n/a n/a
67 2FMD - MAN MAN 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 : 1AX2; Ligand: NDG 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: 1ax2.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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