Receptor
PDB id Resolution Class Description Source Keywords
3E0Q 1.9 Å EC: 2.4.2.1 CRYSTAL STRUCTURE OF SCHISTOSOMA MANSONI PURINE NUCLEOSIDE PHOSPHORYLASE COMPLEXED WITH A NOVEL MONOCYCLIC INHIBITOR SCHISTOSOMA MANSONI MONOCYCLIC INHIBITOR GLYCOSYLTRANSFERASE TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF SCHISTOSOMA PURINE NUCLEOSIDE PHOSPHORYLASE COMPLEXED WITH A NOVEL MONOCYCLIC INHIBITOR. ACTA TROP. V. 114 97 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DMS A:300;
A:301;
B:302;
C:303;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
78.133 C2 H6 O S CS(=O...
JFD A:400;
B:401;
C:402;
 Valid;
Valid;
Valid;
 none;
none;
none;
 submit data
205.997 C4 H4 Br N3 O2 C1(=C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3DJF 2.3 Å EC: 2.4.2.1 CRYSTAL STRUCTURE OF SCHISTOSOMA MANSONI PURINE NUCLEOSIDE PHOSPHORYLASE IN A COMPLEX WITH BCX-34 SCHISTOSOMA MANSONI PURINE NUCLEOSIDE PHOSPHORYLASE BCX34 INHIBITOR GLYCOSYLTRANSFERASE TRANSFERASE
Ref.: STRUCTURAL BASIS FOR SELECTIVE INHIBITION OF PURINE NUCLEOSIDE PHOSPHORYLASE FROM SCHISTOSOMA MANSONI: AND STRUCTURAL STUDIES. BIOORG.MED.CHEM. V. 18 1421 2010
Members (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 3FB1 - R1P C5 H11 O8 P C([C@@H]1[....
2 3E9R - ADE C5 H5 N5 c1[nH]c2c(....
3 3E0Q - JFD C4 H4 Br N3 O2 C1(=C(NC(=....
4 3FNQ - HPA C5 H4 N4 O c1[nH]c2c(....
5 3FAZ - NOS C10 H12 N4 O5 c1nc2c(n1[....
6 3IEX - GMP C10 H13 N5 O5 c1nc2c(n1[....
7 3DJF ic50 = 0.8 uM BC3 C12 H11 N5 O c1cc(cnc1)....
8 3F8W - ADN C10 H13 N5 O4 c1nc(c2c(n....
70% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 5TBT - CTN C9 H13 N3 O5 C1=CN(C(=O....
2 5TBU - HPA C5 H4 N4 O c1[nH]c2c(....
3 5TBS - ADE C5 H5 N5 c1[nH]c2c(....
4 3FB1 - R1P C5 H11 O8 P C([C@@H]1[....
5 3E9R - ADE C5 H5 N5 c1[nH]c2c(....
6 3E0Q - JFD C4 H4 Br N3 O2 C1(=C(NC(=....
7 3FNQ - HPA C5 H4 N4 O c1[nH]c2c(....
8 3FAZ - NOS C10 H12 N4 O5 c1nc2c(n1[....
9 3IEX - GMP C10 H13 N5 O5 c1nc2c(n1[....
10 3DJF ic50 = 0.8 uM BC3 C12 H11 N5 O c1cc(cnc1)....
11 3F8W - ADN C10 H13 N5 O4 c1nc(c2c(n....
50% Homology Family (44)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2ON6 Ki = 172 nM IMH C11 H14 N4 O4 c1c(c2c([n....
2 2A0Y Ki = 900 pM DIH C12 H17 N4 O3 c1c(c2c([n....
3 1RR6 - IMH C11 H14 N4 O4 c1c(c2c([n....
4 2A0X Ki = 950 pM DIH C12 H17 N4 O3 c1c(c2c([n....
5 3GB9 - A2F C5 H4 F N5 c1[nH]c2c(....
6 1RT9 - IMH C11 H14 N4 O4 c1c(c2c([n....
7 5UGF - IM5 C12 H17 N5 O3 c1c(c2c([n....
8 3BGS Ki = 380 pM DIH C12 H17 N4 O3 c1c(c2c([n....
9 1RSZ - DIH C12 H17 N4 O3 c1c(c2c([n....
10 2A0W Ki = 270 pM DIH C12 H17 N4 O3 c1c(c2c([n....
11 1B8O Ki = 23 pM IMH C11 H14 N4 O4 c1c(c2c([n....
12 1A9T - R1P C5 H11 O8 P C([C@@H]1[....
13 1VFN Ki = 2.5 uM HPA C5 H4 N4 O c1[nH]c2c(....
14 2QPL ic50 = 18.9 uM BTY C6 H7 N5 O Cc1cc2n(n1....
15 2AI1 ic50 = 300 nM P1G C12 H16 N5 O8 P c1nc2c(n1[....
16 1B8N Ki = 30 pM IMG C11 H15 N5 O4 c1c(c2c([n....
17 1A9S - NOS C10 H12 N4 O5 c1nc2c(n1[....
18 2AI3 ic50 = 5000 nM P2G C11 H14 N5 O8 P c1nc2c(n1[....
19 1LVU Kd = 4.8 uM 9PP C9 H13 N6 O4 P C[C@@H](Cn....
20 1A9P - 9DI C11 H13 N3 O5 c1c(c2c([n....
21 2AI2 ic50 = 30 nM P1D C13 H16 N3 O8 P c1c(c2c([n....
22 1V48 Ki = 16 nM HA1 C10 H14 F2 N5 O4 P c1nc2c(n1C....
23 1A9Q - HPA C5 H4 N4 O c1[nH]c2c(....
24 3FUC Kd = 190 pM 9D9 C11 H15 F2 N4 O4 P c1c(c2c([n....
25 1A9R - HPA C5 H4 N4 O c1[nH]c2c(....
26 1LV8 Kd = 3.5 uM 9PP C9 H13 N6 O4 P C[C@@H](Cn....
27 1FXU - GU7 C10 H16 N6 O3 c1nc2c(n1C....
28 5IFK - HPA C5 H4 N4 O c1[nH]c2c(....
29 5TBT - CTN C9 H13 N3 O5 C1=CN(C(=O....
30 5TBU - HPA C5 H4 N4 O c1[nH]c2c(....
31 5TBS - ADE C5 H5 N5 c1[nH]c2c(....
32 4EAR - IM5 C12 H17 N5 O3 c1c(c2c([n....
33 5ETJ Kd = 66 pM IM5 C12 H17 N5 O3 c1c(c2c([n....
34 4EB8 - IM5 C12 H17 N5 O3 c1c(c2c([n....
35 2P4S Ki = 0.31 nM DIH C12 H17 N4 O3 c1c(c2c([n....
36 3FB1 - R1P C5 H11 O8 P C([C@@H]1[....
37 3E9R - ADE C5 H5 N5 c1[nH]c2c(....
38 3E0Q - JFD C4 H4 Br N3 O2 C1(=C(NC(=....
39 3FNQ - HPA C5 H4 N4 O c1[nH]c2c(....
40 3FAZ - NOS C10 H12 N4 O5 c1nc2c(n1[....
41 3IEX - GMP C10 H13 N5 O5 c1nc2c(n1[....
42 3DJF ic50 = 0.8 uM BC3 C12 H11 N5 O c1cc(cnc1)....
43 3F8W - ADN C10 H13 N5 O4 c1nc(c2c(n....
44 1VMK - GUN C5 H5 N5 O c1[nH]c2c(....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: JFD; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 JFD 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: JFD; Similar ligands found: 823
No: Ligand Similarity coefficient
1 JIF 0.9908
2 7MH 0.9832
3 G6D 0.9795
4 T6C 0.9794
5 25W 0.9746
6 FUL 0.9728
7 35C 0.9725
8 B53 0.9708
9 XYP 0.9689
10 LXC 0.9681
11 4JO 0.9654
12 5AN 0.9644
13 43M 0.9637
14 BR8 0.9632
15 BGC 0.9623
16 PYD 0.9612
17 TBP 0.9605
18 TDR 0.9603
19 XXR 0.9603
20 AX2 0.9592
21 G3F 0.9583
22 6UA 0.9576
23 TH0 0.9574
24 F5B 0.9563
25 URF 0.9562
26 13X 0.9558
27 GIO 0.9550
28 TLD 0.9548
29 WBU 0.9548
30 ICP 0.9547
31 IUR 0.9546
32 RNS 0.9543
33 5MH 0.9541
34 XBZ 0.9539
35 MCT 0.9535
36 EXO 0.9535
37 GCS 0.9532
38 2AC 0.9530
39 XYD 0.9530
40 5CL 0.9526
41 275 0.9526
42 1MC 0.9525
43 WDL 0.9523
44 5UC 0.9522
45 MWM 0.9521
46 GLC 0.9517
47 2MP 0.9515
48 XYS 0.9512
49 34A 0.9511
50 3AY 0.9511
51 4ZE 0.9506
52 IDH 0.9505
53 JZ2 0.9496
54 RM4 0.9496
55 A1U 0.9484
56 BTE 0.9482
57 MFB 0.9479
58 8S0 0.9478
59 ISE 0.9477
60 4HO 0.9465
61 FCB 0.9465
62 ERH 0.9461
63 4JJ 0.9454
64 HPA 0.9451
65 5JC 0.9449
66 GAL 0.9446
67 0MK 0.9443
68 HT4 0.9442
69 TM7 0.9436
70 FUC 0.9434
71 3RK 0.9434
72 AZA 0.9431
73 4CL 0.9424
74 AHR 0.9424
75 GUN 0.9421
76 5ZE 0.9419
77 ADE 0.9419
78 7VJ 0.9413
79 9DG 0.9408
80 9HX 0.9406
81 XAN 0.9402
82 2ZX 0.9400
83 7HP 0.9400
84 67N 0.9397
85 9DA 0.9396
86 23A 0.9393
87 149 0.9392
88 GMN 0.9390
89 3MH 0.9390
90 INS 0.9385
91 MWJ 0.9385
92 MZG 0.9382
93 TCZ 0.9377
94 F81 0.9376
95 IGA 0.9373
96 2YU 0.9373
97 BBF 0.9373
98 FDB 0.9372
99 M1A 0.9371
100 PYG 0.9370
101 FUF 0.9369
102 IBF 0.9368
103 10L 0.9363
104 27Y 0.9361
105 MBD 0.9360
106 2CM 0.9360
107 BR9 0.9360
108 6MP 0.9355
109 JZ3 0.9355
110 7WA 0.9354
111 BP1 0.9353
112 SHG 0.9352
113 FLM 0.9350
114 BCF 0.9350
115 Y8I 0.9348
116 PM6 0.9347
117 2DR 0.9345
118 141 0.9341
119 2C9 0.9340
120 2MY 0.9340
121 HMH 0.9338
122 ES4 0.9337
123 NOJ 0.9336
124 ZZT 0.9331
125 3FA 0.9330
126 4XR 0.9330
127 24B 0.9327
128 RIB 0.9327
129 SWD 0.9326
130 39A 0.9326
131 7CZ 0.9324
132 EQT 0.9321
133 3CE 0.9320
134 DUB 0.9320
135 290 0.9311
136 KJY 0.9310
137 0CU 0.9309
138 6AP 0.9306
139 FYU 0.9305
140 A2F 0.9305
141 B57 0.9301
142 DX4 0.9300
143 8H8 0.9300
144 FFP 0.9300
145 RAM 0.9299
146 YH7 0.9298
147 2A7 0.9296
148 2CQ 0.9295
149 2FG 0.9295
150 1PT 0.9293
151 HMU 0.9293
152 G4D 0.9289
153 6GU 0.9286
154 ARB 0.9284
155 R8A 0.9283
156 CFP 0.9282
157 AZG 0.9280
158 1XM 0.9276
159 NSP 0.9275
160 FPY 0.9271
161 FCA 0.9267
162 GLA 0.9262
163 AUD 0.9260
164 0TR 0.9260
165 SAL 0.9258
166 DQN 0.9257
167 BOA 0.9256
168 1WG 0.9254
169 F3B 0.9253
170 HFB 0.9252
171 4JU 0.9251
172 3MC 0.9250
173 HX3 0.9248
174 RIP 0.9242
175 S76 0.9241
176 260 0.9241
177 URA 0.9240
178 NK 0.9240
179 LGC 0.9239
180 HH5 0.9238
181 Q88 0.9236
182 PCI 0.9236
183 1XN 0.9235
184 KYD 0.9235
185 TH7 0.9234
186 7B4 0.9230
187 TC7 0.9228
188 5Q0 0.9226
189 1WD 0.9223
190 ES0 0.9222
191 QWW 0.9217
192 BE2 0.9217
193 DFU 0.9216
194 CRS 0.9216
195 12M 0.9215
196 TMZ 0.9215
197 3MA 0.9214
198 26D 0.9214
199 QX2 0.9212
200 HZQ 0.9209
201 RSF 0.9207
202 V55 0.9206
203 6MH 0.9201
204 9MG 0.9200
205 4XX 0.9199
206 45C 0.9196
207 F4Z 0.9196
208 ADZ 0.9195
209 2MH 0.9194
210 PFB 0.9190
211 LG4 0.9188
212 GYE 0.9186
213 F0J 0.9186
214 2H5 0.9185
215 150 0.9182
216 3DM 0.9182
217 DFB 0.9182
218 5SG 0.9180
219 ZZ3 0.9178
220 YIO 0.9175
221 3HA 0.9175
222 1DW 0.9174
223 GIV 0.9172
224 ADK 0.9170
225 DRL 0.9170
226 1GN 0.9169
227 2D0 0.9169
228 MT0 0.9169
229 PXY 0.9168
230 4HS 0.9166
231 24W 0.9164
232 JBK 0.9161
233 1NP 0.9159
234 HQE 0.9159
235 GBD 0.9158
236 P3K 0.9157
237 64K 0.9156
238 4M4 0.9154
239 LG5 0.9152
240 IFM 0.9151
241 6F0 0.9151
242 PLQ 0.9151
243 ES6 0.9151
244 HQY 0.9151
245 CWM 0.9151
246 RCO 0.9150
247 X6X 0.9150
248 PCR 0.9147
249 CYT 0.9146
250 GRE 0.9145
251 286 0.9145
252 4JN 0.9144
253 IOL 0.9144
254 2CH 0.9143
255 25R 0.9140
256 SOE 0.9140
257 DHK 0.9137
258 M1Q 0.9137
259 4SV 0.9136
260 8GF 0.9135
261 PE0 0.9133
262 2ZV 0.9133
263 ES1 0.9132
264 MBG 0.9131
265 MO8 0.9130
266 JKE 0.9129
267 4PW 0.9128
268 495 0.9127
269 SVN 0.9125
270 TMT 0.9125
271 5IQ 0.9122
272 3U4 0.9119
273 3Z7 0.9118
274 4YS 0.9118
275 3M0 0.9115
276 938 0.9115
277 LG3 0.9111
278 7WV 0.9111
279 1LM 0.9109
280 BML 0.9109
281 BCP 0.9108
282 AZF 0.9107
283 HBA 0.9106
284 OXZ 0.9106
285 M5K 0.9106
286 UNC 0.9105
287 3F0 0.9104
288 4CH 0.9102
289 6M1 0.9102
290 HTS 0.9100
291 1SQ 0.9098
292 JBE 0.9095
293 Q24 0.9090
294 GDE 0.9090
295 7NI 0.9090
296 J9W 0.9089
297 TTL 0.9088
298 1AN 0.9088
299 FPN 0.9088
300 MEW 0.9088
301 AJ2 0.9086
302 N5J 0.9086
303 GVH 0.9085
304 AQO 0.9085
305 FE DB1 0.9084
306 0R0 0.9084
307 ABE 0.9084
308 HY3 0.9083
309 5M0 0.9083
310 O72 0.9082
311 1LQ 0.9082
312 NDM 0.9081
313 BMA 0.9080
314 CAQ 0.9080
315 AZ8 0.9079
316 BEW 0.9077
317 HH8 0.9076
318 6X8 0.9075
319 BZI 0.9075
320 BZF 0.9075
321 KBG 0.9073
322 60P 0.9073
323 DBH 0.9073
324 MAN 0.9072
325 3XX 0.9071
326 KIA 0.9070
327 4HC 0.9070
328 VNJ 0.9069
329 DUC 0.9068
330 7HQ 0.9067
331 4XH 0.9067
332 TM4 0.9067
333 IND 0.9067
334 BZX 0.9066
335 7W1 0.9065
336 IFL 0.9065
337 PA1 0.9065
338 KOJ 0.9062
339 DA1 0.9060
340 284 0.9060
341 BDP 0.9059
342 3CH 0.9056
343 MPI 0.9055
344 BVF 0.9055
345 3MG 0.9055
346 I3A 0.9055
347 JPZ 0.9055
348 PBR 0.9053
349 5QX 0.9053
350 ISN 0.9053
351 FP2 0.9053
352 YSO 0.9050
353 4ZC 0.9050
354 93Q 0.9048
355 0CT 0.9048
356 37T 0.9047
357 GAG 0.9046
358 IPZ 0.9046
359 SKA 0.9045
360 FOT 0.9045
361 PXL 0.9044
362 6CS 0.9043
363 9EW 0.9042
364 JBH 0.9041
365 5RG 0.9041
366 261 0.9040
367 7W4 0.9040
368 F05 0.9040
369 8LG 0.9039
370 M1E 0.9038
371 LZ1 0.9036
372 270 0.9035
373 AX7 0.9033
374 4JP 0.9033
375 JZ0 0.9033
376 VNL 0.9032
377 3ZQ 0.9032
378 0R1 0.9031
379 12Q 0.9030
380 HGQ 0.9029
381 G1O 0.9029
382 M3T 0.9026
383 OXQ 0.9025
384 PYQ 0.9025
385 HLR 0.9025
386 DEN 0.9023
387 NOY 0.9023
388 5WV 0.9023
389 HQT 0.9022
390 IV2 0.9021
391 HJP 0.9020
392 R8V 0.9019
393 PHB 0.9019
394 92Z 0.9019
395 OXE 0.9018
396 JAE 0.9017
397 GXL 0.9017
398 GAF 0.9014
399 HPY 0.9013
400 DGJ 0.9013
401 FA0 0.9013
402 G5V 0.9012
403 L89 0.9012
404 KIB 0.9011
405 5WX 0.9010
406 PXM 0.9010
407 I1N 0.9010
408 IJZ 0.9009
409 NEQ 0.9007
410 47J 0.9005
411 3SK 0.9005
412 ARA 0.9004
413 RHU 0.9003
414 6AI 0.8997
415 QSH 0.8997
416 VK3 0.8995
417 FPI 0.8993
418 ORO 0.8993
419 BHA 0.8993
420 32X 0.8991
421 12B 0.8991
422 B3R 0.8991
423 C2U 0.8990
424 IP0 0.8989
425 YTB 0.8989
426 2A9 0.8989
427 4M0 0.8988
428 GOO 0.8988
429 GTQ 0.8987
430 KKN 0.8985
431 M6N 0.8985
432 JUG 0.8984
433 NQ 0.8983
434 329 0.8983
435 5NU 0.8982
436 0RW 0.8982
437 11S 0.8981
438 HHA 0.8980
439 4NC 0.8979
440 UEG 0.8978
441 3DO 0.8977
442 5AC 0.8976
443 FP1 0.8976
444 ECE 0.8976
445 4XV 0.8972
446 94N 0.8971
447 680 0.8970
448 CIG 0.8970
449 HLZ 0.8969
450 282 0.8968
451 5CU 0.8968
452 4XS 0.8968
453 5H1 0.8967
454 G2F 0.8965
455 MNM 0.8962
456 14O 0.8961
457 GLT 0.8960
458 ASO 0.8959
459 82I 0.8959
460 PQ0 0.8958
461 4H2 0.8958
462 HEW 0.8956
463 XQ0 0.8955
464 H4N 0.8954
465 NPY 0.8954
466 AMG 0.8953
467 9TY 0.8952
468 5MI 0.8951
469 ES9 0.8951
470 54G 0.8949
471 FK1 0.8948
472 LRH 0.8948
473 2AF 0.8947
474 GCB 0.8947
475 M1H 0.8942
476 UAN 0.8942
477 DOB 0.8942
478 FGZ 0.8940
479 WOO 0.8938
480 Q6T 0.8937
481 IDM 0.8937
482 2EC 0.8934
483 2K4 0.8934
484 RXA 0.8933
485 CYH 0.8933
486 8NY 0.8930
487 JZ9 0.8929
488 KIV 0.8926
489 8IG 0.8925
490 GOG 0.8923
491 OXC 0.8923
492 FDK 0.8923
493 DHB 0.8923
494 MSN 0.8922
495 JZ1 0.8922
496 GCU 0.8922
497 URC 0.8922
498 ES7 0.8922
499 0P6 0.8922
500 LZM 0.8922
501 DHQ 0.8921
502 42A 0.8921
503 DOR 0.8920
504 H8N 0.8919
505 NTM 0.8918
506 MYJ 0.8918
507 5MB 0.8917
508 II6 0.8916
509 TEP 0.8914
510 PRF 0.8914
511 4HM 0.8913
512 4VP 0.8912
513 QOS 0.8912
514 6M9 0.8912
515 94B 0.8912
516 YAN 0.8910
517 GOX 0.8910
518 ICC 0.8908
519 9TZ 0.8907
520 6KX 0.8906
521 7VS 0.8906
522 4AA 0.8906
523 GXY 0.8906
524 2MI 0.8903
525 GTR 0.8903
526 SOR 0.8902
527 5MK 0.8902
528 FSW 0.8899
529 8CM 0.8897
530 F60 0.8897
531 D1X 0.8897
532 B55 0.8895
533 P9P 0.8895
534 FUB 0.8894
535 LKA 0.8894
536 QUZ 0.8894
537 40O 0.8894
538 ALL 0.8893
539 XM0 0.8892
540 INE 0.8891
541 R8S 0.8891
542 AKH 0.8888
543 A65 0.8888
544 4JL 0.8888
545 RM1 0.8887
546 LMR 0.8887
547 EUG 0.8887
548 7WR 0.8882
549 03V 0.8882
550 3IT 0.8882
551 6LW 0.8881
552 1XX 0.8880
553 SWA 0.8879
554 P92 0.8879
555 QBK 0.8876
556 5JQ 0.8876
557 2CK 0.8876
558 XAZ 0.8875
559 NBZ 0.8875
560 HAI 0.8874
561 0FN 0.8874
562 9X7 0.8873
563 76X 0.8872
564 HBX 0.8871
565 ABN 0.8869
566 M0Q 0.8868
567 PHT 0.8866
568 ADA 0.8866
569 BTY 0.8864
570 NPO 0.8862
571 EVA 0.8862
572 6M4 0.8862
573 KUF 0.8862
574 SKM 0.8860
575 34D 0.8859
576 COU 0.8859
577 2MN 0.8859
578 CWS 0.8858
579 H76 0.8855
580 SHA 0.8855
581 C2B 0.8854
582 B60 0.8853
583 1P7 0.8853
584 86J 0.8852
585 75K 0.8849
586 IPH 0.8848
587 M0W 0.8848
588 LSA 0.8847
589 E7Z 0.8845
590 15L 0.8844
591 R2B 0.8844
592 NMJ 0.8843
593 DIE 0.8842
594 LCN 0.8840
595 DBJ 0.8840
596 MAK 0.8839
597 AW5 0.8838
598 NID 0.8837
599 SYN 0.8835
600 GTL 0.8835
601 93K 0.8834
602 3WA 0.8833
603 ABV 0.8833
604 8TX 0.8832
605 XQG 0.8832
606 OCH 0.8832
607 NTZ 0.8830
608 JBQ 0.8829
609 HHQ 0.8825
610 K17 0.8825
611 A7W 0.8823
612 5JL 0.8823
613 KLW 0.8822
614 42C 0.8821
615 EA1 0.8821
616 D07 0.8820
617 SX1 0.8819
618 F1A 0.8818
619 2HO 0.8817
620 NCA 0.8817
621 3NT 0.8816
622 QSB 0.8816
623 MLT 0.8815
624 4A3 0.8815
625 FH2 0.8815
626 3AB 0.8814
627 FPK 0.8812
628 H42 0.8810
629 RPQ 0.8810
630 CHB 0.8808
631 M2H 0.8808
632 AZ9 0.8808
633 9TW 0.8807
634 ZVO 0.8806
635 1AB 0.8806
636 DMJ 0.8806
637 BEZ 0.8805
638 NNO 0.8805
639 8GC 0.8805
640 GLF 0.8805
641 4FS 0.8804
642 4Z4 0.8802
643 9PO 0.8801
644 FHB 0.8801
645 XYL 0.8800
646 MFU 0.8800
647 2ZQ 0.8798
648 JLZ 0.8798
649 FBA 0.8798
650 948 0.8796
651 ES5 0.8795
652 5RN 0.8795
653 3HM 0.8794
654 Z82 0.8794
655 DIU 0.8793
656 X09 0.8793
657 6VD 0.8792
658 INO 0.8791
659 GAB 0.8789
660 IHB 0.8789
661 EDG 0.8788
662 NIO 0.8788
663 IPB 0.8787
664 2AQ 0.8787
665 C2A 0.8786
666 NBE 0.8786
667 A2Q 0.8785
668 280 0.8783
669 OVV 0.8781
670 HRZ 0.8780
671 3HB 0.8779
672 5HN 0.8779
673 MAQ 0.8776
674 4JM 0.8775
675 1MR 0.8773
676 XHP 0.8772
677 QPR 0.8770
678 JB5 0.8769
679 H3M 0.8768
680 QWN 0.8767
681 5VM 0.8766
682 TBS 0.8765
683 PZA 0.8764
684 XX2 0.8762
685 8WT 0.8761
686 PY7 0.8761
687 DMD 0.8760
688 WCE 0.8755
689 YHO 0.8754
690 IF7 0.8753
691 6PC 0.8753
692 44W 0.8752
693 VGD 0.8752
694 O7U 0.8751
695 CLW 0.8751
696 7ZE 0.8751
697 5B1 0.8749
698 SJ5 0.8749
699 PAB 0.8746
700 ET2 0.8745
701 APZ 0.8745
702 HQD 0.8745
703 TTY 0.8743
704 FBT 0.8742
705 285 0.8737
706 QX4 0.8737
707 1U6 0.8737
708 CTS 0.8737
709 5WY 0.8737
710 2LP 0.8736
711 HBD 0.8735
712 4CS 0.8733
713 ZWZ 0.8730
714 B62 0.8728
715 3FH 0.8726
716 1Y6 0.8726
717 PYF 0.8725
718 J1Z 0.8723
719 174 0.8722
720 ALO 0.8721
721 53C 0.8721
722 ASC 0.8718
723 3BZ 0.8717
724 5OB 0.8711
725 MZB 0.8711
726 VOH 0.8709
727 FBB 0.8708
728 36R 0.8705
729 0W8 0.8705
730 BRT 0.8703
731 PRZ 0.8703
732 1P8 0.8702
733 FRU 0.8701
734 L3Q 0.8698
735 ICO 0.8697
736 3ID 0.8696
737 GTZ 0.8694
738 826 0.8694
739 K2T 0.8693
740 3OC 0.8690
741 5RO 0.8689
742 4MA 0.8688
743 2HQ 0.8686
744 EJZ 0.8686
745 3Z8 0.8682
746 6HQ 0.8680
747 KT7 0.8679
748 KJH 0.8677
749 BZ3 0.8676
750 LDP 0.8673
751 PBZ 0.8672
752 7D2 0.8667
753 4JT 0.8665
754 OTW 0.8664
755 0N7 0.8663
756 AFR 0.8660
757 AS3 0.8660
758 X05 0.8659
759 FB1 0.8657
760 209 0.8655
761 HXX 0.8654
762 MRW 0.8653
763 FBV 0.8653
764 CRN 0.8652
765 MVN 0.8652
766 CFF 0.8652
767 MA3 0.8652
768 H33 0.8648
769 EV0 0.8648
770 6ME 0.8644
771 44V 0.8640
772 DQU 0.8640
773 QXW 0.8638
774 2AK 0.8638
775 0FO 0.8636
776 42J 0.8636
777 TFU 0.8635
778 JTH 0.8630
779 SF9 0.8630
780 92K 0.8630
781 ES2 0.8628
782 2GS 0.8628
783 1P3 0.8627
784 GIM 0.8626
785 GIF 0.8625
786 06B 0.8624
787 MR1 0.8624
788 DIN 0.8623
789 MUA 0.8618
790 SW7 0.8617
791 FHN 0.8616
792 DQA 0.8615
793 K8X 0.8611
794 AGK 0.8609
795 9KT 0.8607
796 JU2 0.8606
797 MQN 0.8606
798 PHH 0.8603
799 ZB1 0.8602
800 BNT 0.8600
801 SFU 0.8600
802 EYK 0.8591
803 JXN 0.8588
804 MMA 0.8587
805 TAR 0.8583
806 UFV 0.8581
807 UQ 0.8580
808 BEA 0.8578
809 TLA 0.8575
810 E3D 0.8574
811 QAT 0.8573
812 5NE 0.8565
813 4YO 0.8563
814 7B3 0.8561
815 ZXD 0.8561
816 GYP 0.8552
817 0TU 0.8544
818 VGL 0.8537
819 K22 0.8536
820 K5W 0.8531
821 K32 0.8525
822 HNQ 0.8524
823 F9Y 0.8509
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3DJF; Ligand: BC3; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 3djf.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 5F7J ADE 33.4375
Pocket No.: 2; Query (leader) PDB : 3DJF; Ligand: BC3; 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: 3djf.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3DJF; Ligand: BC3; 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: 3djf.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
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