Receptor
PDB id Resolution Class Description Source Keywords
1WBL 2.5 Å NON-ENZYME: BINDING WINGED BEAN LECTIN COMPLEXED WITH METHYL-ALPHA-D-GALACTOSE PSOPHOCARPUS TETRAGONOLOBUS LEGUME LECTIN GLYCOSYLATED PROTEIN BLOOD GROUP SPECIFICITYQUATERNARY ASSOCIATION AGGLUTININ LECTIN
Ref.: CARBOHYDRATE SPECIFICITY AND QUATERNARY ASSOCIATION WINGED BEAN LECTIN: X-RAY ANALYSIS OF THE LECTIN AT RESOLUTION. J.MOL.BIOL. V. 276 787 1998
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AMG A:400;
B:400;
C:400;
D:400;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
194.182 C7 H14 O6 CO[C@...
CA A:303;
B:303;
C:303;
D:303;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
MN A:300;
B:300;
C:300;
D:300;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
54.938 Mn [Mn+2...
NAG FUC NAG A:501;
B:601;
C:501;
D:501;
D:601;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
submit data
n/a n/a
NAG NAG A:601;
B:501;
Part of Protein;
Part of Protein;
none;
none;
submit data
408.404 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2D3S 2.35 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF BASIC WINGED BEAN LECTIN WITH TN-ANTIGE PSOPHOCARPUS TETRAGONOLOBUS LEGUME LECTIN GLYCOSYLATED PROTEIN AGGLUTININ TN-ANTIGENBINDING PROTEIN
Ref.: STRUCTURAL BASIS FOR THE SPECIFICITY OF BASIC WINGE LECTIN FOR THE TN-ANTIGEN: A CRYSTALLOGRAPHIC, THER AND MODELLING STUDY FEBS LETT. V. 579 6775 2005
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 544 families.
1 2DTW - 2GS C7 H14 O6 CO[C@@H]1[....
2 1WBL - AMG C7 H14 O6 CO[C@@H]1[....
3 2ZMK - GLA EGA n/a n/a
4 2D3S - TNR C11 H20 N2 O8 CC(=O)N[C@....
70% Homology Family (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 420 families.
1 1V00 - LAT C12 H22 O11 C([C@@H]1[....
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 - GAL BGC 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 LAT C12 H22 O11 C([C@@H]1[....
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 FUC LAT 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 - GLA EGA n/a n/a
16 2D3S - TNR C11 H20 N2 O8 CC(=O)N[C@....
50% Homology Family (61)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 319 families.
1 5T55 Kd = 0.68 nM NGA GLA GAL BGC n/a n/a
2 5T54 Kd = 0.87 nM A2G GLA FUC 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 - MAN MMA n/a n/a
9 2ARB Ka = 26000 M^-1 NAG MAN n/a n/a
10 1N3Q - GLC BDF n/a n/a
11 2AR6 Ka = 63000 M^-1 NAG MAN MAN MAN 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 - FUC GAL MAG FUC n/a n/a
17 1GSL - FUC GAL MAG FUC n/a n/a
18 1V00 - LAT C12 H22 O11 C([C@@H]1[....
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 - GAL BGC 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 LAT C12 H22 O11 C([C@@H]1[....
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 FUC LAT n/a n/a
30 3ZYR Kd = 4.6 uM ASN NAG NAG BMA MAN MAN NAG NAG n/a n/a
31 3ZVX - MAN MAN MAN n/a n/a
32 5U38 - MDM C13 H24 O11 CO[C@@H]1[....
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 - LBT C12 H22 O11 C([C@@H]1[....
38 4U2A - A2G C8 H15 N O6 CC(=O)N[C@....
39 4U36 - TNR C11 H20 N2 O8 CC(=O)N[C@....
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 - MDM C13 H24 O11 CO[C@@H]1[....
44 5EYY - MDM C13 H24 O11 CO[C@@H]1[....
45 2BQP - GLC C6 H12 O6 C([C@@H]1[....
46 5T7P - XMM C14 H15 Br Cl N O6 c1cc(c(c2c....
47 2DVA - GAL MGC n/a n/a
48 2DV9 - GAL GAL n/a n/a
49 1V6K - GAL GLC n/a n/a
50 1V6L - GAL BGC n/a n/a
51 2DVD - GAL GAL n/a n/a
52 2TEP - GAL NGA n/a n/a
53 2DVB - GAL C6 H12 O6 C([C@@H]1[....
54 1V6I - GAL GLC n/a n/a
55 2PEL Ki = 1.37 mM LAT C12 H22 O11 C([C@@H]1[....
56 1G9F - GAL NAG GAL NAG GAL n/a n/a
57 2DTW - 2GS C7 H14 O6 CO[C@@H]1[....
58 1WBL - AMG C7 H14 O6 CO[C@@H]1[....
59 2ZMK - GLA EGA n/a n/a
60 2D3S - TNR C11 H20 N2 O8 CC(=O)N[C@....
61 2FMD - MAN MAN n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AMG; Similar ligands found: 168
No: Ligand ECFP6 Tc MDL keys Tc
1 GYP 1 1
2 MBG 1 1
3 MMA 1 1
4 AMG 1 1
5 GAL MBG 0.613636 0.914286
6 M13 0.613636 0.914286
7 MMA MAN 0.613636 0.914286
8 MAN MMA 0.613636 0.914286
9 DR5 0.613636 0.914286
10 MDM 0.613636 0.914286
11 TRE 0.583333 0.857143
12 GLA MBG 0.581395 0.914286
13 JRV 0.5625 0.842105
14 MA3 0.525 0.914286
15 XGP 0.512195 0.674419
16 GL1 0.512195 0.674419
17 G1P 0.512195 0.674419
18 M1P 0.512195 0.674419
19 BQZ 0.5 0.878788
20 DEG 0.488889 0.837838
21 BMA MAN 0.478261 0.857143
22 BGC GLC 0.478261 0.857143
23 2M4 0.478261 0.857143
24 WZ1 0.470588 0.842105
25 MAG 0.468085 0.727273
26 2F8 0.468085 0.727273
27 EBQ 0.468085 0.861111
28 RGG 0.466667 0.909091
29 MAN MMA MAN 0.464286 0.914286
30 BGC SGC SGC GTM 0.462963 0.842105
31 BGC SSG SSG SGC MA3 0.462963 0.842105
32 GAL MGC 0.462963 0.680851
33 GLC SSG SGC SGC MA3 0.462963 0.842105
34 GAT 0.458333 0.674419
35 JZR 0.458333 0.775
36 BHG 0.458333 0.775
37 GLC HEX 0.458333 0.775
38 JSV 0.45098 0.842105
39 SMD 0.45098 0.842105
40 2GS 0.45 1
41 KGM 0.44898 0.756098
42 B7G 0.44898 0.756098
43 LAT GLA 0.446809 0.857143
44 2M8 0.446809 0.882353
45 GTM BGC BGC 0.442623 0.842105
46 HSJ 0.44 0.756098
47 BOG 0.44 0.756098
48 BNG 0.44 0.756098
49 GLC GLO 0.44 0.909091
50 R1P 0.439024 0.6
51 LBT 0.4375 0.857143
52 CBK 0.4375 0.857143
53 NGR 0.4375 0.857143
54 BGC GAL 0.4375 0.857143
55 GLC GLC 0.4375 0.857143
56 N9S 0.4375 0.857143
57 GLA GAL 0.4375 0.857143
58 MAN GLC 0.4375 0.857143
59 GLA GLA 0.4375 0.857143
60 CBI 0.4375 0.857143
61 56N 0.4375 0.805556
62 LAT 0.4375 0.857143
63 BMA BMA 0.4375 0.857143
64 LB2 0.4375 0.857143
65 MAL 0.4375 0.857143
66 M3M 0.4375 0.857143
67 B2G 0.4375 0.857143
68 BGC BMA 0.4375 0.857143
69 GAL BGC 0.4375 0.857143
70 MAB 0.4375 0.857143
71 GLC BGC 0.4375 0.857143
72 BMA GAL 0.4375 0.857143
73 GLC GAL 0.4375 0.857143
74 EBG 0.4375 0.810811
75 GAL FUC 0.431373 0.857143
76 MBG A2G 0.431034 0.680851
77 A2G MBG 0.431034 0.680851
78 GAL GAL 0.428571 0.857143
79 GLA BGC 0.428571 0.857143
80 MAN BMA 0.428571 0.857143
81 LAK 0.428571 0.857143
82 BMA GLA 0.428571 0.857143
83 MLB 0.428571 0.857143
84 GLA BMA 0.428571 0.857143
85 GAL GLC 0.428571 0.857143
86 BGC GLA 0.428571 0.857143
87 MAN MAN 0.428571 0.857143
88 GLA GLC 0.428571 0.857143
89 WZ2 0.42623 0.842105
90 GLA EGA 0.423077 0.861111
91 GAL PHB 0.423077 0.783784
92 T6P 0.42 0.666667
93 RZM 0.42 0.666667
94 BGC BGC SGC MGL 0.415385 0.842105
95 MGL SGC GLC GLC 0.415385 0.842105
96 MGL SGC BGC BGC 0.415385 0.842105
97 BMA IFM 0.415094 0.652174
98 IFM BGC 0.415094 0.652174
99 IFM BMA 0.415094 0.652174
100 BMA BMA MAN 0.415094 0.857143
101 MAN MAN BMA 0.415094 0.857143
102 VAM 0.415094 0.842105
103 HNV 0.413793 0.842105
104 NAG MBG 0.413793 0.680851
105 WZ3 0.412698 0.888889
106 BMA MAN MAN 0.411765 0.857143
107 DOM 0.411765 0.810811
108 MAN 7D1 0.411765 0.810811
109 SWE 0.411765 0.789474
110 GLC GLC GLC GLC BGC 0.411765 0.857143
111 BGC BGC 0.411765 0.833333
112 SUC 0.411765 0.789474
113 GLC GLC GLC GLC GLC BGC 0.411765 0.857143
114 MFB 0.410256 0.727273
115 MFU 0.410256 0.727273
116 BGC BGC BGC BGC BGC BGC BGC 0.407407 0.857143
117 3X8 0.407407 0.763158
118 XLM 0.407407 0.888889
119 GLC DMJ 0.407407 0.638298
120 BGC BGC BGC BGC BGC 0.407407 0.857143
121 NOJ BGC 0.407407 0.638298
122 FK9 0.407407 0.756098
123 DMJ MAN 0.407407 0.638298
124 CTR 0.403846 0.857143
125 GLC BGC GLC 0.403846 0.857143
126 GAL GAL GAL 0.403846 0.857143
127 BMA BMA BMA 0.403846 0.857143
128 BGC BGC GLC 0.403846 0.857143
129 MAN MAN BMA BMA BMA BMA 0.403846 0.857143
130 CEX 0.403846 0.857143
131 GLA GAL GLC 0.403846 0.857143
132 MTT 0.403846 0.857143
133 GLC GLC GLC GLC GLC 0.403846 0.857143
134 MAN BMA BMA BMA BMA BMA 0.403846 0.857143
135 CE5 0.403846 0.857143
136 B4G 0.403846 0.857143
137 CEY 0.403846 0.857143
138 GLC BGC BGC 0.403846 0.857143
139 BGC GLC GLC GLC 0.403846 0.857143
140 BMA MAN BMA 0.403846 0.857143
141 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.403846 0.857143
142 CT3 0.403846 0.857143
143 GLC BGC BGC BGC 0.403846 0.857143
144 BGC BGC BGC 0.403846 0.857143
145 BGC GLC GLC GLC GLC 0.403846 0.857143
146 MAN BMA BMA BMA BMA 0.403846 0.857143
147 BGC GLC GLC 0.403846 0.857143
148 BMA BMA BMA BMA BMA BMA 0.403846 0.857143
149 CTT 0.403846 0.857143
150 BMA BMA BMA BMA BMA 0.403846 0.857143
151 GLC GAL GAL 0.403846 0.857143
152 DXI 0.403846 0.857143
153 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.403846 0.857143
154 BGC GLC GLC GLC GLC GLC GLC 0.403846 0.857143
155 CE6 0.403846 0.857143
156 SER MAN 0.403846 0.697674
157 MLR 0.403846 0.857143
158 GLC BGC BGC BGC BGC BGC 0.403846 0.857143
159 CE8 0.403846 0.857143
160 U63 0.403846 0.769231
161 GLA GAL BGC 0.403846 0.857143
162 GLC BGC BGC BGC BGC 0.403846 0.857143
163 BGC BGC BGC GLC 0.403846 0.857143
164 MAN BMA BMA 0.403846 0.857143
165 MT7 0.403846 0.857143
166 BGC BGC BGC BGC 0.403846 0.857143
167 IFM MAN 0.4 0.652174
168 GLC 7LQ 0.4 0.857143
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2D3S; Ligand: TNR; 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: 2d3s.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2D3S; Ligand: TNR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2d3s.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2D3S; Ligand: TNR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2d3s.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2D3S; Ligand: TNR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2d3s.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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