Receptor
PDB id Resolution Class Description Source Keywords
1GZ9 1.7 Å NON-ENZYME: BINDING HIGH-RESOLUTION CRYSTAL STRUCTURE OF ERYTHRINA CRISTAGALLI L COMPLEX WITH 2'-ALPHA-L-FUCOSYLLACTOSE ERYTHRINA CRISTA-GALLI LECTIN FUCOSYLLACTOSE SUGAR BINDING PROTEIN PROTEIN-CARBOINTERACTIONS CARBOHYDRATE GLYCOPROTEIN LEGUME LECTIN
Ref.: HIGH-RESOLUTION CRYSTAL STRUCTURES OF ERYTHRINA CRI LECTIN IN COMPLEX WITH LACTOSE AND 2'-ALPHA-L-FUCOS AND CORRELATION WITH THERMODYNAMIC BINDING DATA J.MOL.BIOL. V. 321 69 2002
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...
BGC GAL FUC B:1;
 Valid;
 none;
 Kd = 0.31 mM
488.439 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: BGC GAL FUC; Similar ligands found: 118
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC GAL BGC FUC 1 1
2 BGC GAL FUC 1 1
3 BGC GAL FUC GLA 0.735294 1
4 NAG GAL FUC A2G 0.695652 0.73913
5 BGC GAL NAG GAL FUC 0.675 0.73913
6 BGC GAL NAG GAL FUC FUC 0.642857 0.723404
7 BGC GAL FUC A2G 0.617284 0.73913
8 XYS GAL FUC 0.605634 0.971429
9 NDG GAL FUC FUC 0.605263 0.693878
10 NDG FUC GAL FUC 0.6 0.723404
11 NAG GAL FUC FUC 0.6 0.723404
12 NAG GAL FUC 0.594595 0.73913
13 GLC BGC FUC GAL 0.588235 1
14 BGC FUC GAL 0.588235 1
15 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.571429 0.970588
16 MAN BMA BMA BMA BMA BMA BMA 0.571429 0.970588
17 GLC GLC GLC GLC BGC GLC GLC 0.571429 0.970588
18 GLA NAG GAL FUC 0.5625 0.73913
19 MAG GAL FUC FUC 0.558442 0.708333
20 MAG FUC GAL FUC 0.558442 0.708333
21 GAL NAG GAL FUC FUC 0.554217 0.723404
22 GLC GAL NAG GAL FUC GLA 0.544444 0.73913
23 BHE 0.540541 0.790698
24 NAG GAL FUC GLA 0.536585 0.73913
25 GLC GLC AC1 0.536232 0.767442
26 4YA 0.534247 0.790698
27 BGC GAL GLA 0.529412 0.970588
28 GAL FUC GAL 0.528571 1
29 GLC GAL NAG GAL FUC A2G 0.515789 0.693878
30 BGC GLC GLD GLC ACI GLD GLC ACI G6D 0.511111 0.673469
31 GAL NAG GAL FUC 0.505882 0.708333
32 BGC BGC BGC BGC BGC BGC BGC BGC 0.5 0.970588
33 BGC GLC GLC 0.5 0.970588
34 BGC GAL NGA 0.493506 0.755556
35 ACG 0.48913 0.717391
36 GLC BGC G6D ACI 0.488372 0.755556
37 BGC GLC AGL GLC GLC GLC 0.488095 0.73913
38 BGC GAL NGA GAL 0.4875 0.755556
39 NAG FUC GAL 0.487179 0.73913
40 GLC GLC G6D ACI 0.483146 0.723404
41 BMA BMA BMA BMA 0.479452 0.914286
42 FUC GAL 0.477612 0.970588
43 BGC GAL NAG GAL 0.47561 0.755556
44 GLC GLC GLC GLC GLC 0.473684 0.970588
45 BGC GLC GLC GLC 0.473684 0.970588
46 MAN MAN MAN GLC 0.472973 0.970588
47 MBG GLA 0.46875 0.971429
48 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.467532 0.970588
49 BMA BMA BMA BMA GLA 0.467532 0.970588
50 GLC GLC GLC G6D ACI GLC GLC 0.466667 0.755556
51 BGC BGC XYS GAL 0.4625 0.916667
52 GLC GLC AGL HMC GLC 0.462366 0.723404
53 GLC GLC G6D GLC ACI GLC 0.462366 0.723404
54 GLC GLC AC1 GLC GLC GLC 0.462366 0.723404
55 BGC GAL SIA NGA GAL FUC 0.461538 0.653846
56 BGC FUC GAL FUC A2G 0.460674 0.723404
57 NAG NON FUC GAL FUC 0.457447 0.618182
58 GLC GLC AGL HMC 0.456522 0.73913
59 GAL NAG FUC GAL 0.453488 0.73913
60 BGC GAL GLA NGA GAL 0.453488 0.755556
61 NDG GAL 0.452055 0.607143
62 BGC FUC GAL NAG GAL 0.451613 0.73913
63 BGC DAF 0.451219 0.755556
64 BGC GAL NAG 0.451219 0.755556
65 ARE 0.446809 0.755556
66 AAO 0.446809 0.755556
67 NAG FUC 0.445946 0.717391
68 GLC GLC FRU 0.444444 0.846154
69 BGC GAL GLA NGA 0.44186 0.755556
70 GAL GLC GLD ACI 0.44186 0.755556
71 GAL FUC A2G 0.439024 0.73913
72 G2F SHG BGC BGC 0.438356 0.868421
73 NAG GAL 0.438356 0.755556
74 BGC BGC BGC XYS XYS GAL GAL 0.438202 0.916667
75 TXT 0.436782 0.790698
76 BGC FUC GAL NAG 0.433333 0.73913
77 G4D G4D G4D G4D G4D G4D G4D G4D G4D G4D G4D 0.432432 0.942857
78 BGC SGA 0.432432 0.647059
79 GAL FUC NGA 0.428571 0.708333
80 GAL FUC 0.428571 0.942857
81 BGC Z9D 0.428571 0.942857
82 BGC BGC BGC XYS BGC XYS GAL 0.428571 0.916667
83 MGL GAL 0.426471 0.971429
84 ABC 0.424242 0.717391
85 BGC GLA GAL 0.424242 0.970588
86 BGC BGC BGC XYS BGC XYS 0.423529 0.916667
87 GLC GLC GLC AC1 0.422222 0.723404
88 GLC GLC GLC GLC GLC GLC AC1 0.422222 0.723404
89 HSH GLA FUC 0.421687 0.790698
90 GLC GAL EMB GAL MEC 0.421053 0.641509
91 GTR RAM GTR RAM GTR RAM 0.419753 0.692308
92 BGC GLC AC1 GLC GLC GLC AC1 0.419355 0.723404
93 BGC G6D GLC ACI G6D ACI 0.419355 0.723404
94 GLC GLC GLC DAF DAF 0.419355 0.723404
95 BGC BGC BGC XYS 0.416667 0.916667
96 NAG FUC GAL FUC A2G 0.414894 0.693878
97 NAG GAL FUC FUC A2G 0.414894 0.693878
98 AOG FUC 0.414634 0.653846
99 OPM MAN MAN 0.414634 0.829268
100 BMA MAN MAN MAN 0.414634 0.944444
101 BGC BGC BGC BGC BGC XYS 0.413793 0.916667
102 BGC BGC BGC BGC XYS BGC XYS BGC BGC 0.413793 0.916667
103 GLC AGL HMC 0.413793 0.73913
104 MAN MAN MAN MAN MAN MAN MAN 0.413793 0.970588
105 BGC BGC BGC XYS BGC XYS BGC XYS BGC 0.413793 0.916667
106 RAM MAN GLA ABE RAM MAN GLA 0.411765 0.894737
107 BGC BGC BGC XYS BGC XYS XYS GAL GAL 0.410526 0.916667
108 BGC BGC BGC XYS BGC XYS XYS GAL 0.410526 0.916667
109 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.408163 0.755556
110 AIG FUC 0.407407 0.653846
111 MAN BMA MAN MAN MAN MAN MAN 0.406593 0.971429
112 BGC BGC XYS XYS GAL 0.406593 0.916667
113 BGC GAL NAG NAG GAL GAL 0.40625 0.708333
114 NAG BMA MAN MAN MAN MAN MAN MAN MAN MAN 0.40404 0.755556
115 BGC BGC BGC XYS BGC XYS XYS 0.402299 0.916667
116 GLA NAG FUC GAL 0.402174 0.723404
117 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.402062 0.68
118 MAN BMA BMA 0.4 0.916667
Similar Ligands (3D)
Ligand no: 1; Ligand: BGC GAL FUC; Similar ligands found: 2
No: Ligand Similarity coefficient
1 GLC GAL FUC 0.9615
2 NDG GAL FUC 0.9106
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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