Receptor
PDB id Resolution Class Description Source Keywords
2CCV 1.3 Å NON-ENZYME: BINDING STRUCTURE OF HELIX POMATIA AGGLUTININ WITH ZINC AND N-ACETYL GALACTOSEAMINE (GALNAC) HELIX POMATIA LECTIN SNAIL HELIX POMATIA
Ref.: BIOCHEMICAL AND STRUCTURAL ANALYSIS OF HELIX POMATI AGGLUTININ. A HEXAMERIC LECTIN WITH A NOVEL FOLD. J.BIOL.CHEM. V. 281 20171 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
A2G A:1101;
Valid;
none;
Kd = 0.00013 M
221.208 C8 H15 N O6 CC(=O...
ACT A:1103;
Invalid;
none;
submit data
59.044 C2 H3 O2 CC(=O...
GOL A:1102;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
NAG A:1104;
Invalid;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
ZN A:1100;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2CCV 1.3 Å NON-ENZYME: BINDING STRUCTURE OF HELIX POMATIA AGGLUTININ WITH ZINC AND N-ACETYL GALACTOSEAMINE (GALNAC) HELIX POMATIA LECTIN SNAIL HELIX POMATIA
Ref.: BIOCHEMICAL AND STRUCTURAL ANALYSIS OF HELIX POMATI AGGLUTININ. A HEXAMERIC LECTIN WITH A NOVEL FOLD. J.BIOL.CHEM. V. 281 20171 2006
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 2CCV Kd = 0.00013 M A2G C8 H15 N O6 CC(=O)N[C@....
2 4Q56 - A2G C8 H15 N O6 CC(=O)N[C@....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 2CCV Kd = 0.00013 M A2G C8 H15 N O6 CC(=O)N[C@....
2 4Q56 - A2G C8 H15 N O6 CC(=O)N[C@....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 2CCV Kd = 0.00013 M A2G C8 H15 N O6 CC(=O)N[C@....
2 4Q56 - A2G C8 H15 N O6 CC(=O)N[C@....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: A2G; Similar ligands found: 80
No: Ligand ECFP6 Tc MDL keys Tc
1 A2G 1 1
2 HSQ 1 1
3 NAG 1 1
4 NGA 1 1
5 BM3 1 1
6 NDG 1 1
7 BGN 0.638298 0.888889
8 SIZ 0.630435 0.906977
9 YX1 0.625 0.65
10 STZ 0.612245 0.65
11 16G 0.591837 0.735849
12 4QY 0.591837 0.735849
13 BMX 0.591837 0.735849
14 9C1 0.58 0.886364
15 SNG 0.5625 0.866667
16 NG6 0.54902 0.661017
17 NGS 0.54902 0.661017
18 GDL NAG 0.54386 0.833333
19 ASG 0.538462 0.661017
20 BG8 0.537037 0.906977
21 MAG 0.530612 0.909091
22 2F8 0.530612 0.909091
23 NAG GAL 0.517857 0.888889
24 4V5 0.517241 0.829787
25 A2G NAG 0.517241 0.833333
26 MAN NAG 0.508772 0.888889
27 4UZ 0.508475 0.808511
28 NAG NAG NAG NAG NAG 0.508197 0.816327
29 NAG NAG NAG NAG NAG NAG 0.508197 0.816327
30 NAG NAG NAG NAG NAG NAG NAG NAG 0.508197 0.816327
31 NDG NAG NAG NAG NAG 0.508197 0.816327
32 MQG 0.5 0.698113
33 NBG 0.5 0.951219
34 BMX BMX BMX BM3 0.5 0.701754
35 A2G GAL 0.491228 0.888889
36 AMU 0.490909 0.930233
37 NG1 0.490566 0.754717
38 GN1 0.490566 0.754717
39 NDG NAG 0.47541 0.816327
40 GAL NAG 0.459016 0.888889
41 NAG GAL NAG 0.455882 0.833333
42 NAG FUC 0.45 0.888889
43 3YW 0.448276 0.930233
44 NAG GAL GAL 0.446154 0.888889
45 NAG NAG 0.430769 0.816327
46 GAL NGA 0.428571 0.869565
47 NAG G6S 0.426471 0.645161
48 NAG GAL FUC A2G 0.426471 0.869565
49 GYU 0.42623 0.740741
50 SER A2G 0.42623 0.816327
51 TNR 0.42623 0.833333
52 GAL NGA A2G 0.424242 0.833333
53 NAG BDP 0.421875 0.851064
54 MBG NAG 0.419355 0.851064
55 BGC GAL NGA 0.41791 0.888889
56 AZC 0.415094 0.795918
57 SN5 SN5 0.412698 0.705882
58 MBG A2G 0.412698 0.851064
59 6ZC 0.409091 0.655738
60 LEC 0.409091 0.655738
61 NAG GAL BGC GAL 0.408451 0.888889
62 NAG NAG NAG TMX 0.408451 0.689655
63 GLC 0.404762 0.7
64 GAL 0.404762 0.7
65 GIV 0.404762 0.7
66 BGC 0.404762 0.7
67 BMA 0.404762 0.7
68 WOO 0.404762 0.7
69 GAL GAL 0.404762 0.7
70 GLA 0.404762 0.7
71 MAN 0.404762 0.7
72 ALL 0.404762 0.7
73 BGC GAL 0.404762 0.7
74 GLC GLC 0.404762 0.7
75 GXL 0.404762 0.7
76 A2G GAL NAG 0.402778 0.833333
77 AMU NAG 0.402778 0.8
78 BMA MAN NAG 0.4 0.888889
79 NAG GAL FUC 0.4 0.869565
80 GAL FUC A2G 0.4 0.869565
Similar Ligands (3D)
Ligand no: 1; Ligand: A2G; Similar ligands found: 443
No: Ligand Similarity coefficient
1 DJN 0.9822
2 IFG 0.9807
3 ZPF 0.9688
4 GDL 0.9638
5 BBK 0.9598
6 3XR 0.9578
7 LTM 0.9467
8 2GS 0.9447
9 NOK 0.9445
10 LOG 0.9360
11 NSG 0.9314
12 BEU 0.9308
13 ALX 0.9307
14 F34 0.9266
15 ST2 0.9233
16 86L 0.9227
17 TNX 0.9221
18 FDR 0.9189
19 PH2 0.9186
20 EPR 0.9182
21 HHR 0.9153
22 GJP 0.9144
23 HHT 0.9121
24 PRF 0.9121
25 9R5 0.9119
26 2KA 0.9111
27 W81 0.9102
28 GNL 0.9099
29 UNJ 0.9097
30 4YO 0.9090
31 4JQ 0.9087
32 PYU 0.9078
33 1HN 0.9077
34 NGW 0.9076
35 4RU 0.9075
36 9H2 0.9069
37 PQZ 0.9062
38 HHS 0.9062
39 54Z 0.9059
40 6KT 0.9058
41 BNX 0.9045
42 K82 0.9045
43 GZQ 0.9044
44 APS 0.9041
45 Y0V 0.9036
46 2QC 0.9026
47 OQC 0.9023
48 S8A 0.9015
49 B62 0.9014
50 0FN 0.9011
51 2CZ 0.9010
52 DQU 0.9007
53 2K8 0.9005
54 MS9 0.9004
55 E1K 0.9002
56 DNA 0.9002
57 YI6 0.8999
58 68A 0.8999
59 X0U 0.8998
60 IQ5 0.8988
61 CLZ 0.8988
62 3VS 0.8988
63 6ME 0.8987
64 NFM 0.8983
65 27B 0.8982
66 LIP 0.8979
67 4BY 0.8978
68 PQ0 0.8977
69 L1O 0.8975
70 AU8 0.8969
71 QX4 0.8966
72 44W 0.8964
73 NGT 0.8960
74 4I8 0.8956
75 3ZB 0.8946
76 MSR 0.8946
77 4TU 0.8945
78 44V 0.8943
79 J6W 0.8942
80 K4V 0.8940
81 CFA 0.8940
82 R1P 0.8937
83 JF1 0.8937
84 A7H 0.8936
85 5LA 0.8934
86 CPZ 0.8931
87 QIV 0.8927
88 TSR 0.8924
89 MS0 0.8920
90 0HN 0.8919
91 1F1 0.8919
92 F4K 0.8918
93 88L 0.8916
94 57O 0.8915
95 3VX 0.8915
96 KMY 0.8913
97 36Y 0.8912
98 RNO 0.8912
99 12T 0.8912
100 8ZE 0.8908
101 KG1 0.8906
102 8MO 0.8906
103 ARP 0.8905
104 JAW 0.8902
105 CP7 0.8902
106 H5B 0.8900
107 THA 0.8900
108 657 0.8896
109 SNO 0.8895
110 K3Q 0.8892
111 3DM 0.8890
112 327 0.8890
113 XHP 0.8889
114 1FD 0.8883
115 PFL 0.8883
116 15N 0.8883
117 S24 0.8879
118 K97 0.8878
119 6E8 0.8878
120 CWJ 0.8877
121 3A9 0.8876
122 S7G 0.8874
123 AMH 0.8874
124 TGX 0.8874
125 I4D 0.8871
126 UA5 0.8866
127 4AA 0.8861
128 ODO 0.8858
129 EV2 0.8858
130 0HO 0.8857
131 GC2 0.8856
132 TYL 0.8856
133 9ZE 0.8854
134 8NX 0.8851
135 948 0.8851
136 S0G 0.8850
137 S0E 0.8850
138 QBK 0.8847
139 8WO 0.8845
140 DVQ 0.8844
141 LAO 0.8840
142 BDP 0.8840
143 MD6 0.8837
144 3C4 0.8831
145 5NI 0.8831
146 AEG 0.8829
147 94W 0.8827
148 ST3 0.8826
149 IAC 0.8825
150 LP8 0.8821
151 XAZ 0.8817
152 BZJ 0.8817
153 IPD 0.8816
154 GNM 0.8815
155 3N1 0.8813
156 A5E 0.8813
157 OTW 0.8812
158 GO2 0.8810
159 MP5 0.8809
160 INE 0.8808
161 AES 0.8806
162 A7N 0.8806
163 HNT 0.8805
164 3R4 0.8803
165 EE8 0.8803
166 1CY 0.8803
167 MQN 0.8802
168 GSY 0.8802
169 JTH 0.8801
170 BA5 0.8799
171 6NI 0.8799
172 HBO 0.8799
173 JB8 0.8797
174 VC3 0.8793
175 LZB 0.8793
176 L14 0.8792
177 61M 0.8790
178 OMD 0.8789
179 EUE 0.8789
180 0JD 0.8786
181 97T 0.8786
182 428 0.8785
183 GF1 0.8785
184 ST1 0.8784
185 363 0.8783
186 P9E 0.8783
187 7QD 0.8781
188 NLA 0.8780
189 2A9 0.8779
190 1BW 0.8778
191 4NS 0.8778
192 6FZ 0.8777
193 RD4 0.8771
194 JWB 0.8770
195 0OK 0.8767
196 5GT 0.8767
197 5RO 0.8766
198 8NB 0.8763
199 4NP 0.8763
200 PPN 0.8762
201 20J 0.8761
202 MVN 0.8761
203 54E 0.8761
204 EMZ 0.8760
205 0FO 0.8758
206 92P 0.8757
207 2CL 0.8755
208 ZZZ 0.8753
209 DDU 0.8753
210 2FY 0.8753
211 AAN 0.8750
212 SKM 0.8750
213 KIB 0.8747
214 PH3 0.8746
215 MQB 0.8746
216 KP2 0.8745
217 EV3 0.8744
218 B56 0.8743
219 ANF 0.8739
220 EVA 0.8739
221 2BX 0.8737
222 4HP 0.8737
223 JDN 0.8736
224 3GQ 0.8736
225 0FK 0.8735
226 GC3 0.8734
227 0TU 0.8731
228 EYV 0.8731
229 9FH 0.8731
230 ZB1 0.8731
231 N4E 0.8730
232 I3E 0.8730
233 N91 0.8729
234 DHY 0.8727
235 5JQ 0.8727
236 549 0.8727
237 VOH 0.8723
238 RH1 0.8723
239 ICT 0.8723
240 URC 0.8722
241 XCG 0.8722
242 F1A 0.8721
243 CIT 0.8720
244 BNT 0.8720
245 N2I 0.8719
246 GF4 0.8718
247 PNP 0.8716
248 SBK 0.8714
249 PQK 0.8709
250 ES2 0.8708
251 IOS 0.8708
252 5JL 0.8706
253 AA 0.8706
254 B53 0.8704
255 2FQ 0.8703
256 TMG 0.8703
257 EAE 0.8701
258 ADA 0.8700
259 9KZ 0.8698
260 N3W 0.8697
261 80G 0.8697
262 FPL 0.8696
263 BY5 0.8694
264 E7S 0.8692
265 MJ5 0.8691
266 KJ5 0.8690
267 4BL 0.8689
268 54X 0.8688
269 QLI 0.8687
270 2O8 0.8687
271 Q77 0.8686
272 HBI 0.8685
273 BDF 0.8685
274 C1M 0.8683
275 EUH 0.8683
276 BHA 0.8683
277 H4B NO 0.8682
278 A9K 0.8681
279 X6X 0.8680
280 SNU 0.8678
281 FLC 0.8678
282 2EC 0.8676
283 AJ1 0.8675
284 GTR 0.8675
285 CH8 0.8675
286 TWO 0.8674
287 0FR 0.8674
288 OW7 0.8673
289 KF5 0.8672
290 IV2 0.8672
291 KJY 0.8671
292 QIC 0.8671
293 6HP 0.8671
294 HWD 0.8670
295 6VD 0.8669
296 SDF 0.8669
297 CN0 0.8668
298 CLU 0.8668
299 9NB 0.8667
300 KGK 0.8666
301 L1Q 0.8665
302 GCB 0.8665
303 AX3 0.8662
304 SYE 0.8662
305 KP6 0.8662
306 CKA 0.8661
307 293 0.8661
308 M3Q 0.8660
309 NVU 0.8660
310 9LI 0.8659
311 R9S 0.8659
312 IPB 0.8658
313 F52 0.8657
314 4MB 0.8656
315 3QV 0.8655
316 GCU 0.8655
317 FH2 0.8654
318 CP6 0.8654
319 5NS 0.8654
320 J9Q 0.8653
321 5GU 0.8651
322 ISC 0.8650
323 5OO 0.8649
324 FDK 0.8649
325 5OF 0.8649
326 C2Y 0.8648
327 PMP 0.8646
328 H4B 0.8644
329 F5C 0.8643
330 7B3 0.8641
331 5CU 0.8640
332 DOB 0.8639
333 JAH 0.8637
334 15L 0.8637
335 S3C 0.8636
336 PLP 0.8636
337 L1T 0.8635
338 TYE 0.8635
339 MR1 0.8634
340 GWM 0.8634
341 UEG 0.8633
342 535 0.8633
343 1A5 0.8631
344 Q71 0.8631
345 CTE 0.8630
346 DC5 0.8630
347 C53 0.8629
348 BIO 0.8628
349 GAF 0.8628
350 MUR 0.8627
351 JA5 0.8626
352 5FN 0.8625
353 8D6 0.8624
354 8U3 0.8624
355 FTV 0.8624
356 ZEC 0.8623
357 MIG 0.8623
358 36M 0.8623
359 LR5 0.8623
360 505 0.8621
361 TRP 0.8619
362 X04 0.8618
363 GNY 0.8618
364 KYA 0.8616
365 FA0 0.8616
366 86J 0.8615
367 G6P 0.8615
368 IFL 0.8614
369 MAJ 0.8614
370 8HC 0.8614
371 3MG 0.8614
372 S60 0.8613
373 6HO 0.8612
374 ZON 0.8611
375 6SD 0.8610
376 L46 0.8610
377 F69 0.8610
378 8TX 0.8608
379 KTJ 0.8607
380 B57 0.8603
381 BPY 0.8601
382 BHQ 0.8601
383 RES 0.8601
384 KDV 0.8600
385 FWD 0.8600
386 4M0 0.8599
387 FBF 0.8599
388 344 0.8596
389 ZSP 0.8596
390 67X 0.8595
391 LZ2 0.8594
392 MNS 0.8592
393 SJK 0.8592
394 2FX 0.8592
395 DGJ 0.8588
396 SKF 0.8587
397 GXY 0.8586
398 LDP 0.8586
399 M78 0.8586
400 K48 0.8586
401 2GQ 0.8585
402 PZM 0.8584
403 2F6 0.8584
404 5NE 0.8584
405 HA7 0.8583
406 C8O 0.8579
407 289 0.8578
408 M4S 0.8577
409 AMR 0.8576
410 IBM 0.8575
411 9UL 0.8574
412 SWX 0.8574
413 0F9 0.8572
414 TSS 0.8570
415 G1P 0.8570
416 JF2 0.8569
417 PXL 0.8566
418 9BF 0.8565
419 QBP 0.8563
420 DRG 0.8563
421 AMG 0.8561
422 DHK 0.8560
423 4CM 0.8558
424 FYR 0.8558
425 3AE 0.8558
426 P84 0.8556
427 SQV 0.8555
428 YRL 0.8554
429 OA3 0.8551
430 CWD 0.8550
431 B4O 0.8544
432 0QW 0.8539
433 DHS 0.8537
434 N0Z 0.8536
435 42J 0.8534
436 WSD 0.8534
437 4JC 0.8534
438 FMQ 0.8530
439 TT4 0.8530
440 7FU 0.8529
441 MFZ 0.8529
442 Z13 0.8525
443 7W1 0.8524
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2CCV; Ligand: A2G; 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: 2ccv.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2CCV; Ligand: A2G; 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: 2ccv.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2CCV; Ligand: A2G; 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: 2ccv.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2CCV; Ligand: A2G; 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: 2ccv.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2CCV; Ligand: A2G; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 2ccv.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 2CCV; Ligand: A2G; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 2ccv.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
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