Receptor
PDB id Resolution Class Description Source Keywords
3QDX 1.7 Å NON-ENZYME: BINDING STRUCTURE OF THE ORTHORHOMBIC FORM OF THE BOLETUS EDULIS LEC COMPLEX WITH T-ANTIGEN DISACCHARIDE AND N,N-DIACETYL CHITOB BOLETUS EDULIS BOLETUS EDULIS LECTIN MUSHROOM T-ANTIGEN DISACCHARIDE NDIACETYL CHITOBIOSE CARBOHYDRATE SUGAR BINDING SUGAR BINPROTEIN
Ref.: STRUCTURE OF A LECTIN WITH ANTITUMORAL PROPERTIES I BOLETE (BOLETUS EDULIS) MUSHROOMS. GLYCOBIOLOGY V. 21 1000 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
A2G GAL A:146;
B:146;
Valid;
Valid;
none;
none;
submit data
383.35 n/a O=C(N...
CBS A:144;
B:144;
Valid;
Valid;
none;
none;
submit data
424.4 C16 H28 N2 O11 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3QDX 1.7 Å NON-ENZYME: BINDING STRUCTURE OF THE ORTHORHOMBIC FORM OF THE BOLETUS EDULIS LEC COMPLEX WITH T-ANTIGEN DISACCHARIDE AND N,N-DIACETYL CHITOB BOLETUS EDULIS BOLETUS EDULIS LECTIN MUSHROOM T-ANTIGEN DISACCHARIDE NDIACETYL CHITOBIOSE CARBOHYDRATE SUGAR BINDING SUGAR BINPROTEIN
Ref.: STRUCTURE OF A LECTIN WITH ANTITUMORAL PROPERTIES I BOLETE (BOLETUS EDULIS) MUSHROOMS. GLYCOBIOLOGY V. 21 1000 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 3QDX - CBS C16 H28 N2 O11 CC(=O)N[C@....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 3QDX - CBS C16 H28 N2 O11 CC(=O)N[C@....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 272 families.
1 3QDX - CBS C16 H28 N2 O11 CC(=O)N[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: A2G GAL; Similar ligands found: 292
No: Ligand ECFP6 Tc MDL keys Tc
1 A2G GAL 1 1
2 GAL NGA 1 1
3 GAL A2G 1 1
4 GAL NGA A2G 0.877193 0.918367
5 FUC NAG 0.728814 0.956522
6 NAG A2G 0.716667 0.9375
7 NAG NGA 0.716667 0.9375
8 NAG BDP 0.68254 0.916667
9 GAL MGC 0.666667 0.957447
10 NAG GAL FUC 0.661765 0.978261
11 DR3 0.661765 0.978261
12 NDG GAL 0.639344 1
13 GAL NDG 0.639344 1
14 NLC 0.639344 1
15 1GN ACY GAL ACY 1GN BGC GAL BGC 0.628205 0.9375
16 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.628205 0.9375
17 GC4 NAG 0.617647 0.916667
18 GAL NAG FUC 0.608696 0.978261
19 FUC NDG GAL 0.608696 0.978261
20 FUC NAG GAL 0.608696 0.978261
21 GAL NDG FUC 0.608696 0.978261
22 UCD 0.585714 0.897959
23 NAG GCU NAG GCU NAG GCU 5AX 0.582278 0.9
24 NAG BDP NAG BDP NAG BDP NAG 0.582278 0.9
25 NAG GAL GAL 0.57971 1
26 GLA GAL NAG 0.57971 1
27 MAN BMA NAG 0.57971 1
28 NGA GCD 0.577465 0.88
29 GCD NGA 0.577465 0.88
30 NAG GAD 0.577465 0.88
31 GAD NDG 0.577465 0.88
32 GAL NAG GAL BGC 0.567568 1
33 LAT NAG GAL 0.567568 1
34 BGC GAL NAG GAL 0.567568 1
35 A2G SER GAL 0.56338 0.918367
36 GAL SER A2G 0.56338 0.918367
37 GAL TNR 0.56338 0.918367
38 NGA SER GAL 0.56338 0.918367
39 8VZ 0.5625 0.918367
40 GAL A2G THR 0.540541 0.9
41 AMU 0.539683 0.87234
42 GAL NGA GLA BGC GAL 0.538462 1
43 NAG BMA 0.537313 0.897959
44 GAL A2G MBN 0.533333 0.9375
45 LB2 0.525424 0.733333
46 M3M 0.525424 0.733333
47 MAN GLC 0.525424 0.733333
48 MAN NAG GAL 0.520548 1
49 GAL NAG MAN 0.520548 1
50 GAL NAG GAL NAG GAL NAG 0.519481 0.918367
51 NAG GAL GAL NAG GAL 0.519481 0.9375
52 NAG GAL GAL NAG 0.519481 0.9375
53 LOG GAL 0.514286 0.803571
54 GAL LOG 0.514286 0.803571
55 GAL BGC NAG GAL 0.513158 1
56 NPO A2G GAL 0.512821 0.714286
57 GAL A2G NPO 0.512821 0.714286
58 2M4 0.508475 0.733333
59 MAN MAN 0.508475 0.733333
60 BGC BGC 0.508475 0.733333
61 MAG FUC GAL 0.5 0.9375
62 GLA NAG GAL FUC 0.5 0.978261
63 GAL NOK 0.5 0.814815
64 NOK GAL 0.5 0.814815
65 GAL NAG 0.5 1
66 NAG GAL 0.5 1
67 GAL NAG GAL FUC 0.5 0.978261
68 NGA GAL 0.5 1
69 NAG BDP NAG BDP 0.494382 0.849057
70 CG3 A2G GAL 0.493827 0.703125
71 GLC GAL NAG GAL 0.493671 1
72 BDZ 0.493506 0.957447
73 FUC NDG GAL FUC 0.493506 0.957447
74 FUC GAL NDG FUC 0.493506 0.957447
75 FUC NAG GAL FUC 0.493506 0.957447
76 BCW 0.493506 0.957447
77 GAL NAG FUC FUC 0.493506 0.957447
78 GAL NDG FUC FUC 0.493506 0.957447
79 FUC GAL NAG FUC 0.493506 0.957447
80 GAL NAG GAL 0.493506 0.957447
81 HSQ 0.491228 0.888889
82 BM3 0.491228 0.888889
83 A2G 0.491228 0.888889
84 NAG 0.491228 0.888889
85 NGA 0.491228 0.888889
86 NDG 0.491228 0.888889
87 GLC BGC BGC BGC 0.484375 0.733333
88 GLC BGC BGC BGC BGC BGC BGC 0.484375 0.733333
89 BGC BGC BGC GLC BGC BGC 0.484375 0.733333
90 BGC BGC BGC 0.484375 0.733333
91 BGC BGC BGC BGC BGC 0.484375 0.733333
92 BGC BGC BGC ASO BGC BGC ASO 0.484375 0.733333
93 NGA GAL SIA 0.478261 0.865385
94 GAL GAL FUC 0.478261 0.755556
95 GLA GLA FUC 0.478261 0.755556
96 FUC GLA GLA 0.478261 0.755556
97 GLA GAL FUC 0.478261 0.755556
98 SIA GAL A2G 0.478261 0.865385
99 FUC GAL GLA 0.478261 0.755556
100 NAG BMA MAN MAN MAN MAN 0.47619 1
101 GAL GLC 0.47541 0.733333
102 GLC GAL 0.47541 0.733333
103 BGC GLC 0.47541 0.733333
104 N9S 0.47541 0.733333
105 GLA GAL 0.47541 0.733333
106 MAB 0.47541 0.733333
107 GAL BGC 0.47541 0.733333
108 B2G 0.47541 0.733333
109 BMA GAL 0.47541 0.733333
110 CBI 0.47541 0.733333
111 BGC GAL 0.47541 0.733333
112 GLA GLA 0.47541 0.733333
113 BMA BMA 0.47541 0.733333
114 GLC BGC 0.47541 0.733333
115 LAT 0.47541 0.733333
116 MAL 0.47541 0.733333
117 LBT 0.47541 0.733333
118 BGC BMA 0.47541 0.733333
119 MAL MAL 0.47541 0.717391
120 CBK 0.47541 0.733333
121 G6S NAG 0.473684 0.762712
122 NAG BDP NAG BDP NAG BDP 0.473118 0.865385
123 TRE 0.471698 0.733333
124 CBS 0.471429 0.9375
125 NAG GDL 0.471429 0.9375
126 NAG NDG 0.471429 0.9375
127 CBS CBS 0.471429 0.9375
128 GAL FUC 0.46875 0.733333
129 BMA BMA MAN 0.46875 0.717391
130 NAG NAG BMA 0.468354 0.865385
131 NAG NDG BMA 0.468354 0.865385
132 FUC GLA A2G 0.467532 0.978261
133 FUC GAL A2G 0.467532 0.978261
134 A2G GLA FUC 0.467532 0.978261
135 A2G GAL FUC 0.467532 0.978261
136 FUC GL0 A2G 0.467532 0.978261
137 NGA GAL FUC 0.467532 0.978261
138 NGA GAL BGC 0.466667 1
139 MAN NAG 0.463768 1
140 BGC BGC GLC 0.462687 0.733333
141 CGC 0.462687 0.733333
142 NAG GAL BGC 0.461538 1
143 NAG GAL NAG 0.461538 0.9375
144 GAL MBG 0.460317 0.73913
145 MDM 0.460317 0.73913
146 M13 0.460317 0.73913
147 GLA MBG 0.459016 0.73913
148 NAG FUC 0.457143 0.934783
149 BMA MAN MAN 0.455882 0.733333
150 FUL GAL NAG 0.454545 0.978261
151 NDG GAL FUC 0.454545 0.978261
152 FUC GAL NDG 0.454545 0.978261
153 DR2 0.454545 0.978261
154 FUC GAL NAG 0.454545 0.978261
155 MAG 0.451613 0.893617
156 2F8 0.451613 0.893617
157 NGA GLA GAL BGC 0.451219 1
158 FUC BGC GAL 0.450704 0.755556
159 NAG AMU 0.45 0.9
160 NAG MUB 0.45 0.9
161 BMA MAN BMA 0.446154 0.733333
162 GLC BGC BGC BGC BGC 0.446154 0.733333
163 GLC GLC BGC GLC GLC GLC GLC 0.446154 0.733333
164 GLA GAL GLC 0.446154 0.733333
165 GLC BGC BGC 0.446154 0.733333
166 MT7 0.446154 0.733333
167 GLC GLC GLC GLC GLC GLC GLC GLC 0.446154 0.733333
168 BGC GLC GLC 0.446154 0.733333
169 BGC BGC BGC GLC 0.446154 0.733333
170 MAN BMA BMA BMA BMA 0.446154 0.733333
171 BGC GLC GLC GLC 0.446154 0.733333
172 GLC BGC GLC 0.446154 0.733333
173 CE5 0.446154 0.733333
174 BMA BMA BMA BMA BMA BMA 0.446154 0.733333
175 U63 0.446154 0.673469
176 CE8 0.446154 0.733333
177 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.446154 0.733333
178 GLC GLC GLC GLC GLC GLC GLC 0.446154 0.733333
179 BMA BMA BMA 0.446154 0.733333
180 BGC BGC BGC BGC BGC BGC 0.446154 0.733333
181 GLC GAL GAL 0.446154 0.733333
182 CE6 0.446154 0.733333
183 BGC GLC GLC GLC GLC 0.446154 0.733333
184 CEY 0.446154 0.733333
185 MAN MAN BMA BMA BMA BMA 0.446154 0.733333
186 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.446154 0.733333
187 GLC GLC GLC GLC GLC 0.446154 0.733333
188 MLR 0.446154 0.733333
189 BGC GLC GLC GLC GLC GLC GLC 0.446154 0.733333
190 CTR 0.446154 0.733333
191 CEX 0.446154 0.733333
192 GAL GAL GAL 0.446154 0.733333
193 CTT 0.446154 0.733333
194 GLC GLC BGC 0.446154 0.733333
195 B4G 0.446154 0.733333
196 MTT 0.446154 0.733333
197 CT3 0.446154 0.733333
198 MAN BMA BMA 0.446154 0.733333
199 DXI 0.446154 0.733333
200 GLC BGC BGC BGC BGC BGC 0.446154 0.733333
201 BMA BMA BMA BMA BMA 0.446154 0.733333
202 NAG NAG NAG NAG NAG NAG NAG NAG 0.445946 0.918367
203 NAG NAG NAG NAG 0.445946 0.918367
204 NDG NAG NAG NAG 0.445946 0.918367
205 NAG NAG NAG NAG NAG 0.445946 0.918367
206 NDG NAG NAG 0.445946 0.918367
207 NAG NAG NAG NDG 0.445946 0.918367
208 NAG NAG NAG 0.445946 0.918367
209 NAG NAG NDG 0.445946 0.918367
210 NDG NAG NAG NDG 0.445946 0.918367
211 CTO 0.445946 0.918367
212 NDG NAG NAG NDG NAG 0.445946 0.918367
213 NAG NAG NAG NAG NDG NAG 0.445946 0.918367
214 NAG NAG NAG NAG NAG NAG 0.445946 0.918367
215 NAG NAG NAG NAG NDG 0.445946 0.918367
216 MAN MAN NAG MAN NAG 0.444444 0.9375
217 NAG NAG BMA MAN MAN 0.444444 0.9375
218 GLA GAL NAG FUC GAL GLC 0.44086 0.978261
219 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.43956 0.9
220 GLA EGA 0.439394 0.73913
221 NOY BGC 0.439394 0.854167
222 NDG NAG 0.438356 0.918367
223 FUC GAL NAG A2G FUC 0.438202 0.918367
224 NAG GAL FUC FUC A2G 0.438202 0.918367
225 GAL GC2 0.4375 0.6875
226 DR5 0.4375 0.73913
227 T6P 0.4375 0.6
228 MMA MAN 0.4375 0.73913
229 NAG NAG BMA MAN 0.436782 0.865385
230 LAT GLA 0.435484 0.733333
231 GLA GAL BGC 0.434783 0.733333
232 GLA GAL GAL 0.434783 0.733333
233 FUC GAL NAG GAL BGC 0.433333 0.978261
234 MAN MAN BMA 0.432836 0.733333
235 RAM GLC GAL NAG NAG GLC 0.431193 0.865385
236 BMA MAN 0.430769 0.680851
237 NAG MBG 0.430556 0.957447
238 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.430108 1
239 NAG MAN GAL MAN MAN NAG GAL 0.428571 0.9375
240 FUC BGC GAL NAG GAL 0.428571 0.978261
241 FMO 0.426471 0.66
242 FUC NAG GLA GAL 0.425287 0.957447
243 A2G MBG 0.424658 0.957447
244 MBG A2G 0.424658 0.957447
245 GN1 0.424242 0.75
246 NG1 0.424242 0.75
247 BMA BMA BMA BMA BMA BMA MAN 0.42029 0.717391
248 MAN BMA BMA BMA BMA BMA 0.42029 0.717391
249 P3M 0.418919 0.6
250 NAG MAN MAN MAN NAG GAL NAG GAL 0.416667 0.918367
251 GCD NG6 0.416667 0.698413
252 NAG MAN GAL BMA NDG MAN NAG GAL 0.416667 0.918367
253 NG6 GCD 0.416667 0.698413
254 UNU GAL NAG 0.416667 0.918367
255 NAG MAN GAL BMA NAG MAN NAG GAL 0.416667 0.918367
256 MAN BMA NAG NAG MAN NAG GAL GAL 0.416667 0.918367
257 GLA MAN ABE 0.415584 0.723404
258 RZM 0.415385 0.72549
259 SIA 2FG NAG 0.414141 0.803571
260 BGC OXZ 0.411765 0.672727
261 IFM BGC 0.411765 0.705882
262 IFM BMA 0.411765 0.705882
263 BMA IFM 0.411765 0.705882
264 9MR 0.411765 0.74
265 MAN MNM 0.411765 0.854167
266 BGC BGC BGC BGC BGC BGC BGC BGC 0.410959 0.733333
267 BGC BGC BGC BGC 0.410959 0.733333
268 3QL 0.410256 0.865385
269 FUC BGC GAL NAG 0.409091 0.978261
270 FUC GAL NAG GAL FUC 0.409091 0.957447
271 DOM 0.409091 0.702128
272 4RS 0.408451 0.7
273 NAG NAG 0.407895 0.846154
274 SIA NAG GAL GAL 0.407767 0.849057
275 GAL SIA NGA GAL 0.407767 0.865385
276 SNG 0.40625 0.816327
277 MAN MAN MAN GLC 0.405405 0.733333
278 NGA GC4 SO4 0.404762 0.721311
279 L42 0.404762 0.646154
280 ASG GCD 0.404762 0.721311
281 TCG 0.402439 0.775862
282 NAG MAN MAN 0.402439 1
283 CTO TMX 0.402439 0.775862
284 FUC GAL MAG FUC 0.402439 0.9375
285 NAG MAN BMA 0.402439 1
286 ABL 0.4 0.877551
287 GLC GLC XYP 0.4 0.733333
288 A2G GAL NAG FUC 0.4 0.918367
289 A2G GAL BGC FUC 0.4 0.978261
290 NBG 0.4 0.888889
291 8VW 0.4 0.849057
292 GLC 7LQ 0.4 0.659574
Ligand no: 2; Ligand: CBS; Similar ligands found: 198
No: Ligand ECFP6 Tc MDL keys Tc
1 NAG NDG 1 1
2 NAG GDL 1 1
3 CBS CBS 1 1
4 CBS 1 1
5 NAG NAG NAG NAG NAG 0.929825 0.979592
6 NAG NAG NAG 0.929825 0.979592
7 NDG NAG NAG NAG 0.929825 0.979592
8 NAG NAG NAG NAG NDG 0.929825 0.979592
9 NAG NAG NAG NAG NAG NAG NAG NAG 0.929825 0.979592
10 NAG NAG NAG NAG 0.929825 0.979592
11 NDG NAG NAG NDG NAG 0.929825 0.979592
12 NAG NAG NAG NDG 0.929825 0.979592
13 CTO 0.929825 0.979592
14 NDG NAG NAG 0.929825 0.979592
15 NAG NAG NAG NAG NDG NAG 0.929825 0.979592
16 NAG NAG NAG NAG NAG NAG 0.929825 0.979592
17 NDG NAG NAG NDG 0.929825 0.979592
18 NAG NAG NDG 0.929825 0.979592
19 NAG GAL NAG 0.8 1
20 NAG NAG NAG NAG NAG NAG NAG 0.736111 0.888889
21 SN5 SN5 0.725806 0.826923
22 NDG GAL 0.716667 0.9375
23 GAL NDG 0.716667 0.9375
24 NLC 0.716667 0.9375
25 NDG NAG 0.6875 0.979592
26 CTO TMX 0.685714 0.827586
27 TCG 0.685714 0.827586
28 A2G GAL NAG FUC 0.675325 0.979592
29 NGA GAL BGC 0.661765 0.9375
30 NAG NGA 0.65625 1
31 NAG A2G 0.65625 1
32 MAN NAG 0.650794 0.9375
33 A2G MBG 0.646154 0.938776
34 MBG A2G 0.646154 0.938776
35 GAL NAG GAL NAG GAL NAG 0.643836 0.979592
36 NAG GAL GAL NAG 0.643836 1
37 NGA GAL 0.640625 0.9375
38 NAG GAL 0.640625 0.9375
39 GAL NAG 0.640625 0.9375
40 GLA GAL NAG 0.623188 0.9375
41 MAN BMA NAG 0.623188 0.9375
42 NAG GAL GAL 0.623188 0.9375
43 NAG NAG 0.617647 0.903846
44 NAG FUC 0.615385 0.916667
45 NAG BMA NAG MAN MAN NAG NAG 0.609195 0.979592
46 NAG NGO 0.605634 0.886792
47 NAG GAL BGC 0.60274 0.9375
48 FUC GAL NDG 0.597222 0.958333
49 DR2 0.597222 0.958333
50 NDG GAL FUC 0.597222 0.958333
51 FUC GAL NAG 0.597222 0.958333
52 FUL GAL NAG 0.597222 0.958333
53 NAG MUB 0.586667 0.96
54 NAG AMU 0.586667 0.96
55 NAG MBG 0.58209 0.938776
56 DLD 0.578947 0.827586
57 G6S NAG 0.575342 0.725806
58 NOJ NAG NAG 0.571429 0.888889
59 NOJ NAG NAG NAG 0.571429 0.872727
60 NAG MAN BMA NDG MAN NAG GAL 0.565217 0.979592
61 NAG NAG BMA MAN MAN 0.564706 1
62 MAN MAN NAG MAN NAG 0.564706 1
63 NGA GLA GAL BGC 0.564103 0.9375
64 M5G 0.55914 1
65 NGT NAG 0.552632 0.79661
66 NAG MAN BMA 0.552632 0.9375
67 NAG MAN MAN 0.552632 0.9375
68 6Y2 0.55 0.75
69 NAG NAG NGT 0.55 0.813559
70 2F8 0.55 0.877551
71 MAG 0.55 0.877551
72 3QL 0.547945 0.923077
73 FUC GL0 A2G 0.546667 0.958333
74 FUC GLA A2G 0.546667 0.958333
75 FUC GAL A2G 0.546667 0.958333
76 A2G GAL FUC 0.546667 0.958333
77 NGA GAL FUC 0.546667 0.958333
78 A2G GLA FUC 0.546667 0.958333
79 BM3 0.54386 0.833333
80 NAG 0.54386 0.833333
81 NGA 0.54386 0.833333
82 HSQ 0.54386 0.833333
83 NDG 0.54386 0.833333
84 A2G 0.54386 0.833333
85 GAL NAG MAN 0.540541 0.9375
86 MAN NAG GAL 0.540541 0.9375
87 HS2 0.540541 0.862745
88 MAN MAN NAG 0.539474 0.9
89 NAG MAN MMA 0.533333 0.938776
90 NAG AMU NAG AMV 0.53012 0.941176
91 UNU GAL NAG 0.525 0.94
92 NAG MAN MAN MAN NAG 0.52439 1
93 NAG NM9 0.519481 0.941176
94 A2G GAL BGC FUC 0.517647 0.958333
95 GN1 0.515625 0.741379
96 NG1 0.515625 0.741379
97 GAL BGC NAG GAL 0.512821 0.9375
98 GLC GAL NAG GAL 0.5125 0.9375
99 GCS GCS NAG 0.5125 0.92
100 NAG BMA MAN MAN MAN MAN 0.511905 0.9375
101 AO3 0.511628 0.738462
102 NAG MAN MAN MAN NAG GAL NAG GAL 0.51087 0.979592
103 NAG MAN GAL BMA NAG MAN NAG GAL 0.51087 0.979592
104 MAN BMA NAG NAG MAN NAG GAL GAL 0.51087 0.979592
105 NAG MAN GAL BMA NDG MAN NAG GAL 0.51087 0.979592
106 ASG 0.507692 0.65625
107 GAL NGA A2G 0.506849 0.979592
108 NAG NDG BMA 0.506329 0.923077
109 NAG NAG BMA 0.506329 0.923077
110 AH0 NAG 0.506329 0.888889
111 FUC GAL NAG A2G FUC 0.505747 0.979592
112 NAG GAL FUC FUC A2G 0.505747 0.979592
113 NAG GAL GAL NAG GAL 0.5 1
114 GUM 0.5 0.857143
115 NAA NAA AMI 0.494382 0.705882
116 FUC GAL NAG A2G 0.494253 0.888889
117 FUC BGC GAL NAG 0.494118 0.958333
118 GAL NAG GAL 0.493671 0.9
119 8VZ 0.492754 0.979592
120 UMG 0.488889 0.857143
121 BGC FUC GAL FUC A2G 0.488372 0.938776
122 NAG BDP NAG BDP NAG BDP NAG 0.488372 0.96
123 NAG GCU NAG GCU NAG GCU 5AX 0.488372 0.96
124 GLC FUC GAL FUC A2G 0.488372 0.938776
125 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.484848 1
126 GYU 0.478873 0.821429
127 3YW 0.478261 0.857143
128 MMA MAN NAG MAN NAG NAG 0.476744 0.96
129 NAG NAG BMA MAN NAG 0.473684 0.90566
130 BEK GAL NAG 0.47191 0.842105
131 GAL NGA 0.471429 0.9375
132 A2G GAL 0.471429 0.9375
133 GAL A2G 0.471429 0.9375
134 NAG GCU NAG GCD 0.463918 0.888889
135 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.462366 0.9375
136 MA8 0.459459 0.830189
137 LEC NGA 0.458824 0.75
138 NAG AH0 0.458824 0.888889
139 TNR 0.458333 0.882353
140 NAG NAG BMA MAN 0.454545 0.923077
141 GAL NAG GAL BGC 0.451219 0.9375
142 BGC GAL NAG GAL 0.451219 0.9375
143 LAT NAG GAL 0.451219 0.9375
144 GLC GAL NAG GAL FUC A2G 0.44898 0.979592
145 A2G GAL NAG FUC GAL GLC 0.44898 0.979592
146 NAG MU2 0.44898 0.872727
147 BGA 0.444444 0.807018
148 GAL NDG FUC 0.443038 0.958333
149 FUC NAG GAL 0.443038 0.958333
150 FUC NDG GAL 0.443038 0.958333
151 GAL NAG FUC 0.443038 0.958333
152 NAG NAG BMA BMA 0.44186 0.888889
153 NAG NAG BMA MAN MAN NAG NAG 0.441176 0.90566
154 NAG AMU ALA DGL 0.44 0.888889
155 FUC GAL NDG FUC 0.439024 0.938776
156 BDZ 0.439024 0.938776
157 BCW 0.439024 0.938776
158 FUC GAL NAG FUC 0.439024 0.938776
159 FUC NDG GAL FUC 0.439024 0.938776
160 GAL NDG FUC FUC 0.439024 0.938776
161 FUC NAG GAL FUC 0.439024 0.938776
162 GAL NAG FUC FUC 0.439024 0.938776
163 3PV 0.438202 0.884615
164 WZ5 0.434783 0.938776
165 NAG GDL PHJ 0.431579 0.786885
166 SNG 0.430769 0.803922
167 GYT 0.43038 0.813559
168 GAL NGA GLA BGC GAL 0.430233 0.9375
169 NAG MAN GAL MAN MAN NAG GAL 0.430108 1
170 FUC BGC GAL NAG GAL 0.430108 0.958333
171 NDG BDP BDP NPO NDG 0.43 0.75
172 NA1 NAA AMI 0.427083 0.727273
173 SN5 SN5 NGT 0.425287 0.716667
174 SIA GAL NGA 0.424242 0.923077
175 LEC 0.423077 0.703125
176 6ZC 0.423077 0.703125
177 4U2 0.42268 0.941176
178 SN5 NGT 0.421687 0.716667
179 NAG GAL SIA 0.42 0.90566
180 4U1 0.42 0.923077
181 DR3 0.414634 0.958333
182 NAG GAL FUC 0.414634 0.958333
183 SIA GAL NAG 0.414141 0.923077
184 NAG SIA GAL 0.414141 0.923077
185 NAG GAL NGC 0.413462 0.886792
186 NAG BMA 0.413333 0.846154
187 YX1 0.411765 0.646154
188 4QY 0.411765 0.724138
189 16G 0.411765 0.724138
190 BMX 0.411765 0.724138
191 GAL MGC 0.410959 0.938776
192 STZ 0.405797 0.671875
193 FUC GAL NAG GAL BGC 0.404255 0.958333
194 GAL BGC SIA NGA 0.40367 0.923077
195 BGC GAL SIA NGA 0.40367 0.923077
196 SIA GAL BGC NGA 0.40367 0.923077
197 57S 0.402439 0.733333
198 FUC NAG 0.4 0.9375
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3QDX; Ligand: CBS; Similar sites found: 126
This union binding pocket(no: 1) in the query (biounit: 3qdx.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1BTN I3P 0.000673 0.48838 None
2 2BZ1 TAU 0.002224 0.45613 None
3 1UO4 PIH 0.003615 0.43517 None
4 2X2T GAL NGA 0.006656 0.41392 None
5 1ECM TSA 0.0002031 0.41159 None
6 2FWP ICR 0.03776 0.40999 None
7 4A3X LAT 0.00826 0.40958 None
8 1XX4 BAM 0.0007352 0.45815 2.0979
9 4M51 BEZ 0.002793 0.42311 2.0979
10 3LTW HLZ 0.001166 0.41963 2.0979
11 3DAG FEG 0.01523 0.41862 2.0979
12 3R51 MMA 0.005645 0.41724 2.0979
13 3K3G MMU 0.0009166 0.40275 2.0979
14 1II5 GLU 0.001718 0.4002 2.0979
15 1JGS SAL 0.0004264 0.49275 2.17391
16 1Z42 HBA 0.0008778 0.48596 2.7972
17 1OMZ UD2 0.006457 0.45609 2.7972
18 1Z44 NPO 0.004781 0.43914 2.7972
19 3VPD BUA 0.006246 0.4353 2.7972
20 1I0Z OXM 0.003315 0.42793 2.7972
21 3VPD CIT 0.008347 0.41751 2.7972
22 2W3L DRO 0.01064 0.40448 2.7972
23 3CBG 4FE 0.006457 0.42293 3.01724
24 3CBG FER 0.005115 0.41922 3.01724
25 3L24 GOA 0.0009014 0.45406 3.4965
26 4M5P MLA 0.002324 0.44448 3.4965
27 2YD6 FLC 0.006674 0.44096 3.4965
28 5YAS FAC 0.004364 0.4229 3.4965
29 4M5P 23W 0.003035 0.42152 3.4965
30 4JWX 1N4 0.0003242 0.42063 3.4965
31 3GM5 CIT 0.001393 0.41548 3.4965
32 1QR0 COA 0.0006772 0.40833 3.4965
33 3UBW 6SP 0.0008706 0.48805 4.1958
34 4DVE BTN 0.002343 0.43492 4.1958
35 2C31 TZD 0.03938 0.43233 4.1958
36 2C31 ADP 0.03851 0.43233 4.1958
37 1I1Q TRP 0.0002791 0.40818 4.1958
38 1DXY COI 0.008881 0.40812 4.1958
39 4F8L GAL 0.02107 0.40609 4.1958
40 3A8U PLP 0.007074 0.40523 4.1958
41 4EXO PYR 0.007093 0.40521 4.1958
42 3B8I OXL 0.01704 0.40241 4.1958
43 1A59 CIT 0.005767 0.4023 4.1958
44 3W8S GSH 0.002035 0.40022 4.1958
45 3RKR NAP 0.0002335 0.40006 4.1958
46 3S9K CIT 0.0001612 0.53697 4.23729
47 1H9G COA MYR 0.00413 0.44714 4.8951
48 4G1V FAD 0.01892 0.41681 4.8951
49 1NME 159 0.006862 0.41331 4.8951
50 3HZL 6PC 0.007512 0.41149 4.8951
51 3BLI PYR 0.006439 0.40027 4.8951
52 1NU4 MLA 0.0004664 0.49076 5.15464
53 3TKA CTN 0.001154 0.46254 5.59441
54 2Q37 3AL 0.0001678 0.43458 5.59441
55 3OZV FAD 0.02116 0.43167 5.59441
56 2YIV NBN 0.002365 0.4187 5.59441
57 2J0W ASP 0.004808 0.40565 5.59441
58 2HFK E4H 0.0009013 0.40143 5.59441
59 2OI2 DP6 0.0001057 0.4011 5.59441
60 1RYD GLC 0.0002489 0.44575 5.94315
61 2ZWS PLM 0.00001454 0.56762 6.29371
62 1SS4 GSH 0.002181 0.45919 6.29371
63 2YVF NAD 0.01071 0.4571 6.29371
64 1SS4 CIT 0.001795 0.45053 6.29371
65 3F81 STT 0.001959 0.43849 6.29371
66 2YVF FAD 0.03003 0.43296 6.29371
67 4N7U 2JA 0.005645 0.41723 6.29371
68 2FUE M1P 0.003445 0.41543 6.29371
69 1RQH PYR 0.004126 0.40846 6.29371
70 4W6Z ETF 0.008746 0.40843 6.29371
71 1XHL NDP 0.03781 0.40685 6.29371
72 1B74 DGN 0.008002 0.40289 6.29371
73 4N02 FNR 0.0009924 0.50454 6.99301
74 4GYW UDP 0.001488 0.47552 6.99301
75 1FDJ 2FP 0.001861 0.44201 6.99301
76 1G0V NAG 0.004936 0.43709 6.99301
77 2H6B 3C4 0.02407 0.43474 6.99301
78 4O8A 2OP 0.003012 0.42986 6.99301
79 1UUY PPI 0.005129 0.41916 6.99301
80 4UOH ADP 0.005352 0.41632 6.99301
81 4RNV HBA 0.0225 0.41028 6.99301
82 1PEA ACM 0.00741 0.40437 6.99301
83 1H8G CHT 0.0008215 0.47821 7.36842
84 3CL5 SIO 0.0008673 0.43714 7.69231
85 2AEB ABH 0.01065 0.43562 7.69231
86 4DN8 BMA 0.000755 0.42662 7.69231
87 1YOA FMN 0.00219 0.45646 8.1761
88 1TDF FAD 0.002479 0.47984 8.39161
89 1TDF NAP 0.01298 0.45755 8.39161
90 2BLE 5GP 0.01873 0.44309 8.39161
91 1X54 4AD 0.01096 0.42398 8.39161
92 1TO9 HMH 0.002179 0.42395 8.39161
93 4DS0 A2G GAL NAG FUC 0.003877 0.42164 8.39161
94 2QCX PF1 0.0006077 0.41894 8.39161
95 3MAG 3MA 0.001051 0.46119 9.09091
96 4RJK PYR 0.006093 0.43375 9.09091
97 3MCT 3MC 0.0002324 0.4232 9.09091
98 2RCN GDP 0.0001309 0.41519 9.09091
99 1TLL FAD 0.02364 0.40944 9.09091
100 3IHB TRS 0.003104 0.4044 9.09091
101 1TLL NAP 0.03633 0.40287 9.09091
102 3P7I P7I 0.001042 0.4006 9.09091
103 4WVH ASP HIS ASP ALA HIS ALA 0.0004187 0.40464 9.79021
104 1O9U ADZ 0.01288 0.40062 9.79021
105 2WQP WQP 0.001725 0.46524 10.4895
106 4R33 SAH 0.01754 0.4244 10.4895
107 4R33 TRP 0.01754 0.4244 10.4895
108 3SQG COM 0.01106 0.41156 10.4895
109 1MG1 MAL 0.02195 0.40664 10.4895
110 1DL7 NCH 0.006986 0.43071 11.0092
111 1E7S NAP 0.0153 0.42619 11.1888
112 2W1A TSA 0.01012 0.40662 11.1888
113 4HA6 PXM 0.001443 0.40624 11.1888
114 2OWZ CIT 0.003382 0.4009 11.1888
115 1HFA PIO 0.000008661 0.64342 11.8881
116 1T0S BML 0.0002222 0.47165 11.8881
117 1IYE PGU 0.008549 0.43732 12.5874
118 4DXJ 0M9 0.01167 0.40384 12.5874
119 3C1O NAP 0.02175 0.40982 13.2867
120 3SUC ATP 0.007694 0.44744 13.986
121 4BTI 7R9 0.04576 0.40174 16.0839
122 2D2F ADP 0.004648 0.41358 16.7832
123 1SC3 MLI 0.004794 0.41274 17.4825
124 1H16 DTL 0.004062 0.42385 18.8811
125 4USS GSH 0.0008717 0.40019 19.5804
126 2P1M IHP 0.009665 0.42806 20
Pocket No.: 2; Query (leader) PDB : 3QDX; Ligand: CBS; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3qdx.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3QDX; Ligand: CBS; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3qdx.bio2) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3QDX; Ligand: A2G GAL; Similar sites found: 137
This union binding pocket(no: 4) in the query (biounit: 3qdx.bio3) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1BTN I3P 0.001216 0.47617 None
2 2FWP CIT 0.003522 0.46332 None
3 2XBP ATP 0.01004 0.45502 None
4 3ZLM ANP 0.0025 0.45283 None
5 1UO5 PIH 0.002201 0.45225 None
6 4A3X LAT 0.0009038 0.4497 None
7 1UO4 PIH 0.002611 0.43796 None
8 2PAR TMP 0.02802 0.429 None
9 1UWZ THU 0.008802 0.42266 None
10 4F4S EFO 0.0006108 0.40013 None
11 2HW1 FRU 0.00101 0.40486 1.3986
12 2XRH NIO 0.0006702 0.43188 2
13 3R51 MMA 0.000822 0.45158 2.0979
14 3DAG FEG 0.007157 0.44099 2.0979
15 1XX4 BAM 0.001811 0.43592 2.0979
16 9LDT OXM 0.007603 0.41568 2.0979
17 9LDB OXM 0.00788 0.41494 2.0979
18 4M51 BEZ 0.00365 0.414 2.0979
19 3LTW HLZ 0.001621 0.4012 2.0979
20 1KHT AMP 0.0002032 0.40096 2.0979
21 3VPD CIT 0.0002214 0.48931 2.7972
22 1Z42 HBA 0.001838 0.46342 2.7972
23 1OMZ UD2 0.01006 0.45281 2.7972
24 1Z44 NPO 0.003074 0.44492 2.7972
25 3VPD BUA 0.007542 0.42776 2.7972
26 2VWT PYR 0.001292 0.4205 2.7972
27 1I0Z OXM 0.004739 0.41684 2.7972
28 4M5P MLA 0.002221 0.44133 3.4965
29 2YD6 FLC 0.006502 0.44032 3.4965
30 5YAS FAC 0.003701 0.43333 3.4965
31 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.002241 0.42324 3.4965
32 1WTC ACP 0.002923 0.4062 3.4965
33 4F8L GAL 0.001057 0.46836 4.1958
34 2C31 TZD 0.01219 0.46586 4.1958
35 2C31 ADP 0.01653 0.458 4.1958
36 4JCA CIT 0.001552 0.4488 4.1958
37 2Q3M MLA 0.001098 0.44585 4.1958
38 3UBW 6SP 0.001757 0.43693 4.1958
39 2NCD ADP 0.0001206 0.4329 4.1958
40 4DVE BTN 0.007883 0.41809 4.1958
41 1I1Q TRP 0.00008185 0.41421 4.1958
42 1Y4Z PCI 0.006044 0.40829 4.1958
43 2PYU IMP 0.0008934 0.40501 4.1958
44 3S9K CIT 0.004089 0.46102 4.23729
45 2VQ5 LDP 0.003532 0.42267 4.47761
46 1NME 159 0.0001476 0.4856 4.8951
47 4G1V FAD 0.001356 0.47982 4.8951
48 4B9E FAH 0.0003769 0.44016 4.8951
49 4AF5 CIT 0.001013 0.41425 4.8951
50 2AZ3 CDP 0.0002471 0.41098 4.8951
51 3NOJ PYR 0.0005092 0.40839 4.8951
52 1H9G COA MYR 0.03048 0.40001 4.8951
53 1NU4 MLA 0.01931 0.40446 5.15464
54 3TKA CTN 0.0001027 0.53907 5.59441
55 2PTZ PAH 0.006251 0.42971 5.59441
56 2J0W ASP 0.001424 0.4204 5.59441
57 2YIV NBN 0.001326 0.41868 5.59441
58 2YIV YIV 0.003649 0.414 5.59441
59 1NF8 BOG 0.002912 0.40514 5.59441
60 2V5E SCR 0.002292 0.44068 5.94059
61 1RYD GLC 0.000263 0.43084 5.94315
62 1V5F FAD 0.00277 0.52602 6.29371
63 1V5F TPP 0.00277 0.52602 6.29371
64 1SS4 GSH 0.001011 0.47939 6.29371
65 1XHL NDP 0.002904 0.46884 6.29371
66 2YVF FAD 0.01071 0.46284 6.29371
67 2YVF NAD 0.01101 0.46284 6.29371
68 3F81 STT 0.001055 0.44663 6.29371
69 1SS4 CIT 0.0161 0.44407 6.29371
70 1PJS SAH 0.008975 0.44032 6.29371
71 4W6Z ETF 0.00424 0.41905 6.29371
72 4HVK PMP 0.009445 0.4119 6.29371
73 1G0V NAG 0.00004153 0.53465 6.99301
74 4N02 FNR 0.003501 0.48376 6.99301
75 4UOH ADP 0.001641 0.44687 6.99301
76 4B16 NAG 0.002171 0.44181 6.99301
77 4GYW UDP 0.01028 0.44107 6.99301
78 2H6B 3C4 0.008942 0.43621 6.99301
79 2R00 OEG 0.00108 0.42407 6.99301
80 1FDJ 13P 0.004201 0.42219 6.99301
81 1FDJ 2FP 0.007405 0.42178 6.99301
82 1SOW OXL 0.008661 0.40485 6.99301
83 3BY8 MLT 0.003315 0.40419 7.04225
84 1H8G CHT 0.004299 0.43756 7.36842
85 1UZN NAP 0.0004885 0.4821 7.69231
86 1RYI GOA 0.001877 0.46347 7.69231
87 2AEB ABH 0.008439 0.44716 7.69231
88 2XI7 XI7 0.004343 0.43734 7.69231
89 1U5V ATP 0.007914 0.43271 7.69231
90 4JLV ADP 0.01017 0.41396 7.69231
91 1P9B HDA 0.0004946 0.4107 7.69231
92 2Q1A 2KT 0.001956 0.40645 7.69231
93 1YOA FMN 0.02194 0.40164 8.1761
94 1TDF FAD 0.0002561 0.53917 8.39161
95 1TDF NAP 0.000544 0.53917 8.39161
96 2BLE 5GP 0.007577 0.47027 8.39161
97 1X54 4AD 0.002604 0.46108 8.39161
98 2QGI UDP 0.0007739 0.40198 8.39161
99 4CCN OGA 0.000105 0.44523 8.57143
100 2WCI GSH 0.0001602 0.4263 8.88889
101 3IHB TRS 0.000252 0.45583 9.09091
102 4RJK PYR 0.002086 0.42461 9.09091
103 1O9U ADZ 0.0005085 0.4611 9.79021
104 2WQP WQP 0.001269 0.47971 10.4895
105 1HSJ GLC 0.000807 0.47427 10.4895
106 4R33 TRP 0.003311 0.46721 10.4895
107 4R33 SAH 0.003311 0.46721 10.4895
108 1KC7 PPR 0.0002445 0.44928 10.4895
109 3SQG COM 0.00408 0.42867 10.4895
110 1MG1 MAL 0.02345 0.41104 10.4895
111 1QH9 LAC 0.002127 0.40235 10.4895
112 3ZGE ASP 0.0007743 0.44337 11.1888
113 4WBD CIT 0.001075 0.43715 11.1888
114 2W1A TSA 0.003802 0.43279 11.1888
115 1E7S NAP 0.02565 0.42086 11.1888
116 2FPU HSO 0.003433 0.41915 11.1888
117 4WBD ADP 0.003043 0.40589 11.1888
118 1HFA PIO 0.00001475 0.59425 11.8881
119 1T0S BML 0.002688 0.4198 11.8881
120 3U1T MLI 0.001379 0.41849 11.8881
121 4K30 NLG 0.0001345 0.41816 11.8881
122 1IYE PGU 0.01023 0.43996 12.5874
123 4DXJ IPE 0.004281 0.42773 12.5874
124 2DUA OXL 0.01599 0.4159 12.5874
125 3QV9 QV7 0.000415 0.41386 12.5874
126 4DXJ 0M9 0.01824 0.40112 12.5874
127 3DDN HPV 0.006925 0.41237 13.2867
128 3C1O NAP 0.03261 0.40142 13.2867
129 2CW6 3HG 0.002876 0.42675 13.986
130 3SUC ATP 0.01722 0.40978 13.986
131 1RRC ADP 0.01192 0.42545 17.4825
132 1SC3 MLI 0.004096 0.41181 17.4825
133 2Q8H TF4 0.001909 0.43488 18.8811
134 1H16 PYR 0.002337 0.42245 18.8811
135 2P1M IHP 0.00505 0.44848 20
136 2NW9 FT6 0.0004465 0.46612 20.2797
137 2NZU BG6 0.0005687 0.40279 20.979
Pocket No.: 5; Query (leader) PDB : 3QDX; Ligand: CBS; Similar sites found: 32
This union binding pocket(no: 5) in the query (biounit: 3qdx.bio3) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3UEC ALA ARG TPO LYS 0.0006625 0.44208 None
2 3ZLM ANP 0.00764 0.4229 None
3 2XBP ATP 0.04131 0.41715 None
4 2FWP CIT 0.02873 0.41161 None
5 9LDT OXM 0.002851 0.44017 2.0979
6 9LDB OXM 0.002939 0.43953 2.0979
7 1Y7P RIP 0.005811 0.40904 2.7972
8 1CKN GTP 0.0004421 0.40025 2.7972
9 1XE7 GUN 0.0101 0.40553 3.4965
10 4COQ SAN 0.0006838 0.4286 4.1958
11 3OZG SSI 0.00004675 0.40102 4.8951
12 1TUV VK3 0.01031 0.40512 5.26316
13 3FPZ AHZ 0.03959 0.4347 5.59441
14 2V5E SCR 0.003102 0.43839 5.94059
15 1FDJ 13P 0.001862 0.42687 6.99301
16 4B16 NAG 0.007081 0.42099 6.99301
17 1RYI GOA 0.0002293 0.52073 7.69231
18 2XI7 XI7 0.006045 0.43393 7.69231
19 3ICV NAG 0.03731 0.40524 7.69231
20 3O03 GCO 0.009956 0.40582 8.39161
21 3BHO B4P 0.01525 0.40476 8.39161
22 2ALG DAO 0.001013 0.40929 8.69565
23 1HFU NAG NDG 0.007722 0.40229 9.09091
24 1GJW GLC 0.006279 0.40073 9.09091
25 3I7S PYR 0.008772 0.40112 11.1888
26 3U1T MLI 0.00323 0.41297 11.8881
27 2CW6 3HG 0.004157 0.42338 13.986
28 4UZI IMD 0.04416 0.40469 13.986
29 1RRC ADP 0.02974 0.40039 17.4825
30 1H16 PYR 0.002613 0.42439 18.8811
31 2NW9 FT6 0.005021 0.41169 20.2797
32 1PTR PRB 0.004197 0.40815 28
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