Receptor
PDB id Resolution Class Description Source Keywords
2ZMK 2.5 Å NON-ENZYME: BINDING CRYSTL STRUCTURE OF BASIC WINGED BEAN LECTIN IN COMPLEX WITH ALPHA-1,4-GAL-BETA-ETHYLENE PSOPHOCARPUS TETRAGONOLOBUS LEGUME LECTIN SUGAR BINDING PROTEIN SUGAR SPECIFICITY GLYCOPROTEIN LECTIN
Ref.: STRUCTURE AND SUGAR-SPECIFICITY OF BASIC WINGED-BEA STRUCTURES OF NEW DISACCHARIDE COMPLEXES AND A COMP STUDY WITH OTHER KNOWN DISACCHARIDE COMPLEXES OF TH ACTA CRYSTALLOGR.,SECT.D V. 64 730 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BMA C:504;
Invalid;
none;
submit data
180.156 C6 H12 O6 C([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...
GLA EGA A:308;
B:307;
C:303;
D:308;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
370.351 n/a O(CC)...
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 C:501;
Part of Protein;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
NAG FUC A:501;
B:501;
C:601;
D:501;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
367.351 n/a O=C(N...
NAG FUC NAG A:601;
D:601;
Part of Protein;
Part of Protein;
none;
none;
submit data n/a n/a n/a n/a
NAG NAG B:601;
Part of Protein;
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 510 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 391 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 298 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: GLA EGA; Similar ligands found: 261
No: Ligand ECFP6 Tc MDL keys Tc
1 GLA EGA 1 1
2 GLA GAL BGC 5VQ 0.727273 0.945946
3 MAL EDO 0.716981 0.891892
4 GLA GAL GLC NBU 0.689655 0.897436
5 LAT GLA 0.68 0.942857
6 MMA MAN 0.673077 0.944444
7 DR5 0.673077 0.944444
8 LMU 0.666667 0.833333
9 DMU 0.666667 0.833333
10 UMQ 0.666667 0.833333
11 LMT 0.666667 0.833333
12 MAN BMA BMA 0.648148 0.942857
13 B4G 0.648148 0.942857
14 BMA MAN BMA 0.648148 0.942857
15 MAN BMA BMA BMA BMA 0.648148 0.942857
16 BMA BMA BMA BMA BMA BMA 0.648148 0.942857
17 MLR 0.648148 0.942857
18 GLC BGC BGC 0.648148 0.942857
19 GLC GLC BGC 0.648148 0.942857
20 GAL GAL GAL 0.648148 0.942857
21 CEY 0.648148 0.942857
22 GLA GAL GLC 0.648148 0.942857
23 BGC BGC BGC BGC 0.648148 0.942857
24 BGC GLC GLC GLC GLC 0.648148 0.942857
25 DXI 0.648148 0.942857
26 CE8 0.648148 0.942857
27 GLC BGC GLC 0.648148 0.942857
28 BGC BGC BGC BGC BGC BGC 0.648148 0.942857
29 BMA BMA BMA BMA BMA 0.648148 0.942857
30 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.648148 0.942857
31 GLC BGC BGC BGC BGC 0.648148 0.942857
32 CT3 0.648148 0.942857
33 MAN BMA BMA BMA BMA BMA 0.648148 0.942857
34 BGC GLC GLC GLC 0.648148 0.942857
35 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.648148 0.942857
36 BGC BGC BGC GLC 0.648148 0.942857
37 CEX 0.648148 0.942857
38 BGC BGC GLC 0.648148 0.942857
39 BGC BGC BGC BGC BGC 0.648148 0.942857
40 MT7 0.648148 0.942857
41 BGC GLC GLC GLC GLC GLC GLC 0.648148 0.942857
42 CE5 0.648148 0.942857
43 CE6 0.648148 0.942857
44 GLC GLC GLC GLC GLC 0.648148 0.942857
45 BGC BGC BGC 0.648148 0.942857
46 GLC GAL GAL 0.648148 0.942857
47 MTT 0.648148 0.942857
48 GLC BGC BGC BGC BGC BGC 0.648148 0.942857
49 CTR 0.648148 0.942857
50 MAN MAN BMA BMA BMA BMA 0.648148 0.942857
51 BGC GLC GLC 0.648148 0.942857
52 CTT 0.648148 0.942857
53 GLA GAL BGC 0.648148 0.942857
54 BMA BMA BMA 0.648148 0.942857
55 GLC BGC BGC BGC 0.648148 0.942857
56 BGC GAL 0.634615 0.942857
57 B2G 0.634615 0.942857
58 GLC GAL 0.634615 0.942857
59 GLA GAL 0.634615 0.942857
60 GLA GLA 0.634615 0.942857
61 N9S 0.634615 0.942857
62 BGC BMA 0.634615 0.942857
63 MAL 0.634615 0.942857
64 CBI 0.634615 0.942857
65 LAT 0.634615 0.942857
66 LBT 0.634615 0.942857
67 BMA GAL 0.634615 0.942857
68 CBK 0.634615 0.942857
69 MAB 0.634615 0.942857
70 GAL BGC 0.634615 0.942857
71 6UZ 0.584615 0.804878
72 GAL BGC NAG GAL 0.571429 0.73913
73 BMA BMA GLA BMA BMA 0.560606 0.942857
74 MA4 0.557143 0.846154
75 BGC BGC BGC BGC BGC BGC BGC BGC 0.555556 0.942857
76 BQZ 0.54902 0.857143
77 BGC BGC BGC FRU 0.546875 0.825
78 GLC GLC GLC BGC 0.545455 0.942857
79 CM5 0.542857 0.846154
80 GLA GAL GAL 0.540984 0.942857
81 GLC GLC XYP 0.538462 0.942857
82 U63 0.534483 0.846154
83 G2F BGC BGC BGC BGC BGC 0.53125 0.825
84 2M4 0.527273 0.942857
85 GLA MBG 0.527273 0.944444
86 MVP 0.52459 0.702128
87 TRE 0.520833 0.942857
88 M3M 0.517857 0.942857
89 NGR 0.517857 0.942857
90 MAN GLC 0.517857 0.942857
91 LB2 0.517857 0.942857
92 OXZ BGC BGC 0.515152 0.66
93 G2I 0.515152 0.733333
94 G3I 0.515152 0.733333
95 LSE 0.514706 0.693878
96 GAL FUC 0.508475 0.942857
97 GAL NDG 0.507937 0.73913
98 NLC 0.507937 0.73913
99 NDG GAL 0.507937 0.73913
100 SOR GLC GLC 0.507463 0.916667
101 10M 0.507246 0.777778
102 GLC GLC XYS 0.5 0.916667
103 SOR GLC GLC GLC 0.492754 0.916667
104 GLO GLC GLC GLC 0.492754 0.916667
105 BMA BMA 0.491525 0.864865
106 BGC BGC 0.491525 0.864865
107 8VZ 0.484375 0.68
108 ABD 0.480519 0.755556
109 BGC BGC SGC MGL 0.479452 0.871795
110 MGL SGC GLC GLC 0.479452 0.871795
111 MGL SGC BGC BGC 0.479452 0.871795
112 NPJ 0.478873 0.6
113 MAN BMA MAN 0.476923 0.942857
114 LAT SPH OLA 0.47619 0.648148
115 LAT SPH DAO 0.47619 0.648148
116 BGC BGC BGC GLC BGC BGC 0.47541 0.942857
117 GLC BGC BGC BGC BGC BGC BGC 0.47541 0.942857
118 MDM 0.474576 0.944444
119 M13 0.474576 0.944444
120 GAL MBG 0.474576 0.944444
121 GAL NAG MAN 0.472222 0.73913
122 MAN MAN BMA 0.467742 0.942857
123 BMA BMA MAN 0.467742 0.942857
124 VAM 0.467742 0.871795
125 BGC BGC BGC XYS BGC BGC 0.467532 0.891892
126 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.467532 0.891892
127 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.467532 0.891892
128 DOM 0.466667 0.891892
129 RCB 0.465753 0.6
130 GLO GLC GLC 0.465753 0.891892
131 GTM BGC BGC 0.464789 0.871795
132 FUC BGC GAL 0.462687 0.971429
133 BMA MAN MAN MAN 0.461538 0.942857
134 FMO 0.460317 0.825
135 NGA GAL BGC 0.458333 0.73913
136 GAL NGA GLA BGC GAL 0.455696 0.73913
137 XYT 0.454545 0.733333
138 BMA FRU 0.451613 0.8
139 5QP 0.451613 0.837838
140 FRU GAL 0.451613 0.8
141 RZM 0.45 0.659574
142 GLC GAL NAG GAL 0.448718 0.73913
143 LAT NAG GAL 0.448718 0.73913
144 BGC BGC BGC XYS GAL 0.448718 0.891892
145 GAL BGC BGC XYS 0.445946 0.891892
146 BGC 18C GAL 0.444444 0.625
147 MAN BMA NAG 0.444444 0.73913
148 GLA GAL NAG 0.444444 0.73913
149 LAT SPH OCA 0.444444 0.625
150 4MU BGC BGC 0.443038 0.772727
151 BGC GAL NAG GAL 0.441558 0.73913
152 GAL NAG GAL GLC 0.441558 0.73913
153 NAG BMA 0.441176 0.66
154 MAN MMA MAN 0.441176 0.944444
155 BMA BMA BMA BMA 0.441176 0.888889
156 BGC GLA GAL FUC 0.44 0.971429
157 GAL A2G 0.439394 0.73913
158 GAL MGC 0.439394 0.708333
159 GAL NGA 0.439394 0.73913
160 A2G GAL 0.439394 0.73913
161 RGG 0.438596 0.833333
162 GLC DMJ 0.4375 0.666667
163 4MU BGC BGC BGC BGC 0.4375 0.772727
164 MAN BMA MAN MAN MAN 0.43662 0.942857
165 M5S 0.43662 0.942857
166 NAG GAL GAL NAG GAL 0.435897 0.693878
167 BGC BGC XYS BGC 0.434211 0.891892
168 OPM MAN MAN 0.432432 0.853659
169 DEG 0.431034 0.820513
170 ABL 0.430769 0.673469
171 CGC 0.430769 0.888889
172 FUC GAL GLC 0.428571 0.971429
173 BGC GAL FUC 0.428571 0.971429
174 GLC GAL FUC 0.428571 0.971429
175 LAT FUC 0.428571 0.971429
176 GAL NGT 0.428571 0.666667
177 NGT GAL 0.428571 0.666667
178 8B7 0.428571 0.971429
179 GLA GLA FUC 0.426471 0.971429
180 GAL GAL FUC 0.426471 0.971429
181 GLA GAL FUC 0.426471 0.971429
182 FUC GLA GLA 0.426471 0.971429
183 FUC GAL GLA 0.426471 0.971429
184 NGA GLA GAL BGC 0.425 0.73913
185 ERA BGC GAL 0.424242 0.614035
186 GYP 0.423077 0.861111
187 MBG 0.423077 0.861111
188 AMG 0.423077 0.861111
189 MMA 0.423077 0.861111
190 MAN MAN BMA MAN 0.422535 0.942857
191 MAN MAN MAN MAN 0.422535 0.942857
192 IFM BGC 0.421875 0.680851
193 9MR 0.421875 0.711111
194 ISX 0.421875 0.727273
195 IFM BMA 0.421875 0.680851
196 BMA IFM 0.421875 0.680851
197 BGC OXZ 0.421875 0.64
198 GAL GAL SO4 0.42029 0.634615
199 BOG 0.419355 0.785714
200 HSJ 0.419355 0.785714
201 BNG 0.419355 0.785714
202 BMA MAN MAN MAN MAN 0.418919 0.942857
203 QV4 0.418605 0.73913
204 GLC GLC G6D ACI GLC GLC GLC 0.418605 0.73913
205 NAG GAL GAL NAG 0.417722 0.693878
206 GAL NAG GAL NAG GAL NAG 0.417722 0.68
207 NOJ GLC 0.415385 0.666667
208 MAN MNM 0.415385 0.673469
209 NOY BGC 0.415385 0.673469
210 A2G MBG 0.414286 0.708333
211 MAN MAN MAN GLC 0.414286 0.942857
212 MBG A2G 0.414286 0.708333
213 6SA 0.412371 0.73913
214 GAL BGC BGC BGC XYS BGC XYS 0.411765 0.891892
215 BGC BGC BGC XYS BGC XYS GAL 0.411765 0.891892
216 GAL NAG GAL 0.410256 0.708333
217 BGC GLC 0.409836 0.942857
218 BGC GLA 0.409836 0.942857
219 JZR 0.409836 0.761905
220 GLC BGC 0.409836 0.942857
221 BMA MAN 0.409836 0.942857
222 MAN MAN 0.409836 0.942857
223 BMA GLA 0.409836 0.942857
224 GAL GLC 0.409836 0.942857
225 LAK 0.409836 0.942857
226 GLA GLC 0.409836 0.942857
227 BHG 0.409836 0.761905
228 GLC HEX 0.409836 0.761905
229 GLA BGC 0.409836 0.942857
230 GLC GLC 0.409836 0.942857
231 MLB 0.409836 0.942857
232 GLA BMA 0.409836 0.942857
233 MAN BMA 0.409836 0.942857
234 GAL GAL 0.409836 0.942857
235 LGN 0.408163 0.625
236 IGC 0.408163 0.625
237 MAN DGO 0.40625 0.864865
238 NAG NDG BMA 0.405063 0.641509
239 NAG NAG BMA 0.405063 0.641509
240 GLC ACI G6D BGC 0.404762 0.73913
241 GLC ACI GLD GLC 0.404762 0.73913
242 GLC G6D ACI GLC 0.404762 0.73913
243 GLC G6D ADH GLC 0.404762 0.73913
244 B7G 0.403226 0.785714
245 KGM 0.403226 0.785714
246 T6P 0.403226 0.733333
247 GDQ GLC 0.402985 0.64
248 MAN G63 0.402985 0.627451
249 GLC SGC SGC MGL 0.402597 0.871795
250 MAN MAN MAN BMA MAN 0.402597 0.942857
251 BGC BGC BGC XYS BGC XYS XYS 0.4 0.891892
252 GLC GLC DAF BGC 0.4 0.708333
253 BGC BGC XYS BGC XYS BGC XYS 0.4 0.891892
254 AAO 0.4 0.73913
255 WZ3 0.4 0.918919
256 ACR GLC GLC GLC 0.4 0.708333
257 GLC GLC ACI G6D GLC GLC 0.4 0.708333
258 GLC BGC BGC XYS BGC XYS XYS 0.4 0.891892
259 GLC GLC AGL HMC GLC 0.4 0.708333
260 ARE 0.4 0.73913
261 GLF B8D 0.4 0.780488
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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