Receptor
PDB id Resolution Class Description Source Keywords
3URN 1.95 Å EC: 3.1.8.1 CRYSTAL STRUCTURE OF PTE MUTANT H254G/H257W/L303T/K185R/I274N/A80V/S61T WITH CYCLOHEXYL M ETHYLPHOSPHONATE INHIBITOR BREVUNDIMONAS DIMINUTA METALLOENZYME TIM BARREL NERVE AGENTS PHOSPHOTRIESTERASEHYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.: ENZYMES FOR THE HOMELAND DEFENSE: OPTIMIZING PHOSPHOTRIESTERASE FOR THE HYDROLYSIS OF ORGANOPHOS NERVE AGENTS. BIOCHEMISTRY V. 51 6463 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CO A:801;
A:802;
B:803;
B:804;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
58.933 Co [Co+2...
IMD A:903;
B:904;
B:905;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
69.085 C3 H5 N2 c1c[n...
QMP A:902;
B:901;
Valid;
Valid;
none;
none;
submit data
178.166 C7 H15 O3 P CP(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3URB 1.77 Å EC: 3.1.8.1 CRYSTAL STRUCTURE OF PTE MUTANT H254G/H257W/L303T/M317L/I106C/F132I/L271I/K185R/I274N/A80V/ BREVUNDIMONAS DIMINUTA METALLOENZYME TIM BARREL NERVE AGENTS PHOSPHOTRIESTERASEHYDROLASE
Ref.: ENZYMES FOR THE HOMELAND DEFENSE: OPTIMIZING PHOSPHOTRIESTERASE FOR THE HYDROLYSIS OF ORGANOPHOS NERVE AGENTS. BIOCHEMISTRY V. 51 6463 2012
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 3URB - DPF C4 H11 O4 P CCOP(=O)(O....
2 3URN - QMP C7 H15 O3 P CP(=O)(O)O....
70% Homology Family (29)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2R1K - DPF C4 H11 O4 P CCOP(=O)(O....
2 1EZ2 - DII C7 H17 O3 P CC(C)OP(=O....
3 1JGM - PEL C8 H10 O c1ccc(cc1)....
4 2D2H - TZZ C3 H9 O4 P COP(=O)(OC....
5 3C86 - DPJ C4 H11 O3 P S CCOP(=S)(O....
6 1EYW - TEN C6 H15 O4 P CCOP(=O)(O....
7 3OOD - EPL C11 H17 O5 P CCOP(=O)(O....
8 3E3H - EBP C12 H19 O3 P CCOP(=O)(C....
9 3URQ - QMP C7 H15 O3 P CP(=O)(O)O....
10 3A3W - EPL C11 H17 O5 P CCOP(=O)(O....
11 1I0B - PEL C8 H10 O c1ccc(cc1)....
12 1HZY - PEL C8 H10 O c1ccc(cc1)....
13 3CAK - DPF C4 H11 O4 P CCOP(=O)(O....
14 1DPM - EBP C12 H19 O3 P CCOP(=O)(C....
15 2R1P - DPJ C4 H11 O3 P S CCOP(=S)(O....
16 1P6C - EBP C12 H19 O3 P CCOP(=O)(C....
17 1I0D - PEL C8 H10 O c1ccc(cc1)....
18 3UR5 - DPF C4 H11 O4 P CCOP(=O)(O....
19 2R1M - DPF C4 H11 O4 P CCOP(=O)(O....
20 2D2G - DZZ C2 H7 O3 P S COP(=S)(O)....
21 1QW7 - EBP C12 H19 O3 P CCOP(=O)(C....
22 2R1N - EPL C11 H17 O5 P CCOP(=O)(O....
23 2R1L - DPJ C4 H11 O3 P S CCOP(=S)(O....
24 4NP7 - DPJ C4 H11 O3 P S CCOP(=S)(O....
25 1PSC - EBP C12 H19 O3 P CCOP(=O)(C....
26 1P6B - EFS C2 H7 O4 P CCOP(=O)(O....
27 3URB - DPF C4 H11 O4 P CCOP(=O)(O....
28 3URN - QMP C7 H15 O3 P CP(=O)(O)O....
29 4E3T - HLN C16 H21 O3 P CCCCCCP(=O....
50% Homology Family (35)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2R1K - DPF C4 H11 O4 P CCOP(=O)(O....
2 1EZ2 - DII C7 H17 O3 P CC(C)OP(=O....
3 1JGM - PEL C8 H10 O c1ccc(cc1)....
4 2D2H - TZZ C3 H9 O4 P COP(=O)(OC....
5 3C86 - DPJ C4 H11 O3 P S CCOP(=S)(O....
6 1EYW - TEN C6 H15 O4 P CCOP(=O)(O....
7 3OOD - EPL C11 H17 O5 P CCOP(=O)(O....
8 3E3H - EBP C12 H19 O3 P CCOP(=O)(C....
9 3URQ - QMP C7 H15 O3 P CP(=O)(O)O....
10 3A3W - EPL C11 H17 O5 P CCOP(=O)(O....
11 1I0B - PEL C8 H10 O c1ccc(cc1)....
12 1HZY - PEL C8 H10 O c1ccc(cc1)....
13 3CAK - DPF C4 H11 O4 P CCOP(=O)(O....
14 1DPM - EBP C12 H19 O3 P CCOP(=O)(C....
15 2R1P - DPJ C4 H11 O3 P S CCOP(=S)(O....
16 1P6C - EBP C12 H19 O3 P CCOP(=O)(C....
17 1I0D - PEL C8 H10 O c1ccc(cc1)....
18 3UR5 - DPF C4 H11 O4 P CCOP(=O)(O....
19 2R1M - DPF C4 H11 O4 P CCOP(=O)(O....
20 2D2G - DZZ C2 H7 O3 P S COP(=S)(O)....
21 1QW7 - EBP C12 H19 O3 P CCOP(=O)(C....
22 2R1N - EPL C11 H17 O5 P CCOP(=O)(O....
23 2R1L - DPJ C4 H11 O3 P S CCOP(=S)(O....
24 4NP7 - DPJ C4 H11 O3 P S CCOP(=S)(O....
25 1PSC - EBP C12 H19 O3 P CCOP(=O)(C....
26 1P6B - EFS C2 H7 O4 P CCOP(=O)(O....
27 3URB - DPF C4 H11 O4 P CCOP(=O)(O....
28 3URN - QMP C7 H15 O3 P CP(=O)(O)O....
29 4RDZ - MYR C14 H28 O2 CCCCCCCCCC....
30 4E3T - HLN C16 H21 O3 P CCCCCCP(=O....
31 4H9X - HL4 C8 H13 N O3 CCCC(=O)N[....
32 6JST - LAE C12 H19 N O4 CCCCCC(=O)....
33 4H9T - HL4 C8 H13 N O3 CCCC(=O)N[....
34 4KF1 - HT5 C14 H25 N O2 S CCCCCCCCCC....
35 2VC7 Ki = 432.7 uM HT5 C14 H25 N O2 S CCCCCCCCCC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: QMP; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 QMP 1 1
2 DI9 0.4 0.6
Similar Ligands (3D)
Ligand no: 1; Ligand: QMP; Similar ligands found: 907
No: Ligand Similarity coefficient
1 HPS 0.9886
2 B85 0.9863
3 PMF 0.9829
4 SYC 0.9654
5 3PG 0.9618
6 HG3 0.9618
7 GWM 0.9604
8 PHU 0.9569
9 PAC 0.9525
10 M4T 0.9495
11 GJZ 0.9490
12 TSU 0.9483
13 FBS 0.9466
14 PMB 0.9449
15 SAN 0.9441
16 SEP 0.9438
17 4J8 0.9434
18 PEP 0.9430
19 FB2 0.9426
20 R67 0.9421
21 BHO 0.9420
22 PZI 0.9419
23 HPV 0.9418
24 ISZ 0.9418
25 URS 0.9413
26 CFI 0.9411
27 DS0 0.9403
28 EKZ 0.9401
29 OK7 0.9396
30 2PG 0.9394
31 AAS 0.9387
32 AMS 0.9387
33 G3H 0.9386
34 I4B 0.9379
35 PHE 0.9377
36 173 0.9376
37 SPV 0.9375
38 TYL 0.9360
39 B40 0.9357
40 QY9 0.9357
41 HSO 0.9357
42 FAN 0.9356
43 XM0 0.9349
44 13P 0.9345
45 OGA 0.9341
46 BNF 0.9340
47 1SA 0.9339
48 PO6 0.9333
49 FCR 0.9328
50 PGH 0.9313
51 X0V 0.9310
52 INO 0.9310
53 3QM 0.9309
54 8U3 0.9308
55 4SX 0.9305
56 PPR 0.9304
57 Q02 0.9300
58 Q03 0.9299
59 NIZ 0.9299
60 EDR 0.9297
61 TPA 0.9296
62 E4P 0.9296
63 J9T 0.9296
64 CXP 0.9295
65 HCI 0.9292
66 XIY 0.9290
67 PEQ 0.9290
68 DPN 0.9289
69 36E 0.9288
70 AKG 0.9288
71 92K 0.9286
72 PIY 0.9284
73 FBW 0.9283
74 NFA 0.9281
75 K7M 0.9280
76 FBM 0.9279
77 XCZ 0.9276
78 A09 0.9275
79 51R 0.9274
80 IFP 0.9272
81 OSE 0.9270
82 LTL 0.9269
83 HFA 0.9265
84 4P5 0.9265
85 FBV 0.9262
86 PSE 0.9261
87 3SL 0.9260
88 268 0.9258
89 CXF 0.9257
90 PIM 0.9256
91 AC6 0.9254
92 1M2 0.9250
93 PHB 0.9249
94 4WL 0.9243
95 4HP 0.9242
96 258 0.9241
97 GZ3 0.9241
98 BEZ 0.9239
99 G3P 0.9238
100 GPF 0.9236
101 M3H 0.9233
102 069 0.9229
103 PPY 0.9226
104 NPO 0.9225
105 HF2 0.9224
106 KTA 0.9224
107 3LR 0.9223
108 4FH 0.9222
109 1GP 0.9221
110 DE5 0.9213
111 2HG 0.9212
112 F9P 0.9205
113 4NC 0.9204
114 HMS 0.9204
115 GVM 0.9203
116 GP9 0.9202
117 PAB 0.9201
118 1X4 0.9199
119 7N0 0.9199
120 PRA 0.9199
121 MUC 0.9198
122 CHH 0.9198
123 Q9Z 0.9198
124 GLU 0.9197
125 97T 0.9197
126 8K2 0.9196
127 K34 0.9193
128 BEN 0.9192
129 FK8 0.9191
130 ESP 0.9189
131 2BG 0.9187
132 MYJ 0.9186
133 HQJ 0.9185
134 0HO 0.9183
135 MES 0.9181
136 0V5 0.9180
137 F4E 0.9179
138 BZ2 0.9179
139 SAF 0.9177
140 DYT 0.9177
141 DHB 0.9176
142 PGA 0.9175
143 8OZ 0.9175
144 3HP 0.9174
145 AEG 0.9171
146 X1S 0.9171
147 3S5 0.9170
148 QSB 0.9169
149 93K 0.9168
150 CCE 0.9165
151 PBZ 0.9163
152 RMN 0.9158
153 G2H 0.9157
154 6NT 0.9157
155 IWT 0.9155
156 1F1 0.9155
157 4ZA 0.9154
158 ACH 0.9153
159 S2P 0.9153
160 IHB 0.9152
161 6FZ 0.9151
162 ONL 0.9150
163 3PP 0.9150
164 SMN 0.9149
165 GAB 0.9148
166 MSL 0.9147
167 CYX 0.9146
168 CHB 0.9145
169 FP1 0.9141
170 4NG 0.9139
171 LNR 0.9139
172 IP8 0.9135
173 GRO 0.9134
174 PBC 0.9134
175 3FH 0.9134
176 NYL 0.9131
177 3NY 0.9129
178 BCU 0.9129
179 PC 0.9128
180 IZC 0.9128
181 GLN 0.9125
182 HX4 0.9125
183 ABV 0.9123
184 BNS 0.9121
185 9RW 0.9121
186 K5W 0.9120
187 OHP 0.9119
188 GVG 0.9118
189 GPJ 0.9117
190 R20 0.9113
191 SVD 0.9111
192 OTR 0.9111
193 PEL 0.9109
194 ESX 0.9109
195 KMH 0.9107
196 EVF 0.9104
197 4LW 0.9104
198 DHI 0.9104
199 HDH 0.9104
200 264 0.9102
201 PTU 0.9102
202 RAT 0.9101
203 ICB 0.9100
204 717 0.9099
205 HL5 0.9098
206 DHY 0.9096
207 TPO 0.9096
208 L99 0.9095
209 9TW 0.9095
210 J0Z 0.9095
211 R9M 0.9094
212 XIZ 0.9093
213 2HO 0.9092
214 P9P 0.9092
215 4MA 0.9092
216 NM3 0.9091
217 152 0.9090
218 NCT 0.9090
219 NCA 0.9089
220 MAJ 0.9089
221 MLT 0.9088
222 DGL 0.9088
223 NIO 0.9087
224 49F 0.9085
225 J9N 0.9083
226 2AL 0.9083
227 BNL 0.9081
228 4LV 0.9081
229 FEH 0.9081
230 RSO 0.9080
231 4LR 0.9078
232 261 0.9077
233 SHI 0.9076
234 1Y6 0.9076
235 271 0.9074
236 PBA 0.9074
237 DGN 0.9074
238 SPA 0.9073
239 X1P 0.9073
240 R9S 0.9071
241 ES2 0.9071
242 4JT 0.9070
243 7A8 0.9070
244 HIS 0.9069
245 BAM 0.9068
246 GGL 0.9065
247 2IT 0.9065
248 KBB 0.9065
249 MSR 0.9063
250 23J 0.9059
251 AT3 0.9059
252 NNO 0.9059
253 4JQ 0.9057
254 LT1 0.9055
255 PEA 0.9055
256 HY1 0.9053
257 UA5 0.9051
258 BTM 0.9051
259 M4S 0.9049
260 HBD 0.9047
261 I1E 0.9046
262 52C 0.9045
263 MNN 0.9044
264 Z82 0.9043
265 UNU 0.9042
266 L5V 0.9040
267 AX7 0.9040
268 KOJ 0.9039
269 6PC 0.9038
270 7VP 0.9037
271 9RH 0.9036
272 3A9 0.9035
273 XSP 0.9034
274 P72 0.9033
275 N4B 0.9032
276 DHS 0.9031
277 J9Q 0.9031
278 S8V 0.9030
279 4A3 0.9027
280 ICO 0.9024
281 HHH 0.9023
282 AL0 0.9023
283 JZ7 0.9023
284 3HB 0.9022
285 LFC 0.9022
286 PCS 0.9021
287 SHA 0.9021
288 CPZ 0.9019
289 P58 0.9019
290 1DV 0.9019
291 OVV 0.9019
292 S2G 0.9017
293 1DJ 0.9016
294 APG 0.9016
295 129 0.9015
296 FB1 0.9015
297 M45 0.9013
298 TIH 0.9011
299 UFV 0.9010
300 9ON 0.9010
301 826 0.9009
302 N9J 0.9009
303 ABI 0.9009
304 0HN 0.9008
305 3YP 0.9008
306 HBA 0.9007
307 JAW 0.9007
308 RUY 0.9007
309 HC4 0.9007
310 XXG 0.9006
311 CCD 0.9006
312 FA1 0.9005
313 88L 0.9005
314 NBZ 0.9004
315 AC0 0.9002
316 JF6 0.9001
317 ALA ALA 0.9001
318 AMH 0.9001
319 OCH 0.9000
320 COU 0.9000
321 PH3 0.9000
322 2HC 0.8999
323 AEF 0.8998
324 MXN 0.8998
325 LDP 0.8997
326 5NI 0.8995
327 DAL DAL 0.8994
328 0BP 0.8993
329 YRL 0.8993
330 MEQ 0.8993
331 OAA 0.8992
332 3PF 0.8992
333 OKG 0.8991
334 GUA 0.8990
335 5OB 0.8990
336 NTN 0.8987
337 4YO 0.8987
338 RHU 0.8986
339 4FA 0.8986
340 A5E 0.8986
341 MHO 0.8986
342 TCA 0.8985
343 KVP 0.8985
344 SNU 0.8984
345 M6H 0.8981
346 RUJ 0.8981
347 URO 0.8980
348 LAO 0.8979
349 TYE 0.8978
350 PLU 0.8978
351 6TZ 0.8976
352 PZA 0.8975
353 LEU 0.8973
354 TZF 0.8973
355 PAH 0.8972
356 3OC 0.8971
357 2ZM 0.8971
358 7WG 0.8970
359 03V 0.8970
360 EXD 0.8969
361 4PN 0.8969
362 R2P 0.8969
363 8ZE 0.8968
364 JLZ 0.8968
365 LMR 0.8967
366 SME 0.8966
367 SW7 0.8966
368 JB8 0.8962
369 LLQ 0.8961
370 SS2 0.8959
371 BZ3 0.8957
372 AFS 0.8955
373 P7Y 0.8952
374 FHB 0.8950
375 PBN 0.8950
376 M74 0.8948
377 5RN 0.8947
378 A29 0.8947
379 K6H 0.8946
380 RNT 0.8946
381 VNL 0.8946
382 JDN 0.8944
383 ZXD 0.8943
384 P22 0.8943
385 MR1 0.8941
386 36Y 0.8940
387 MJ2 0.8940
388 6NI 0.8940
389 HSM 0.8939
390 MRZ 0.8935
391 FOC 0.8935
392 2MI 0.8935
393 LUQ 0.8934
394 TGX 0.8934
395 1L5 0.8933
396 GZL 0.8932
397 MPV 0.8932
398 7MU 0.8932
399 7C3 0.8932
400 CEE 0.8931
401 ES5 0.8930
402 2AQ 0.8930
403 TYR 0.8930
404 9FL 0.8930
405 ANN 0.8929
406 C1M 0.8929
407 HIC 0.8929
408 B3U 0.8929
409 SYM 0.8929
410 1P8 0.8927
411 8GL 0.8926
412 270 0.8926
413 PCA 0.8923
414 53C 0.8922
415 15N 0.8921
416 EN1 0.8920
417 3AB 0.8919
418 BRH 0.8918
419 1FD 0.8918
420 CTL 0.8917
421 RNS 0.8915
422 2BX 0.8912
423 GDE 0.8911
424 3BZ 0.8911
425 FBB 0.8910
426 3HM 0.8910
427 IOM 0.8908
428 XX2 0.8907
429 92P 0.8907
430 SRT 0.8906
431 K2T 0.8905
432 E0O 0.8905
433 ZBT 0.8903
434 0OC 0.8903
435 FA0 0.8902
436 1A7 0.8901
437 COI 0.8900
438 M58 0.8900
439 Q88 0.8899
440 5XC 0.8899
441 ASC 0.8899
442 174 0.8899
443 HIO 0.8899
444 WCE 0.8898
445 5LA 0.8897
446 ASP 0.8897
447 6M4 0.8897
448 ORN 0.8897
449 DYA 0.8897
450 JND 0.8896
451 SAL 0.8895
452 BDP 0.8894
453 HL4 0.8894
454 TIU 0.8894
455 8WO 0.8892
456 3AL 0.8892
457 J6W 0.8891
458 SD4 0.8891
459 N2I 0.8891
460 IAC 0.8890
461 FOM 0.8888
462 4AA 0.8887
463 SN4 0.8886
464 VGL 0.8886
465 3C4 0.8885
466 FBJ 0.8885
467 FBT 0.8885
468 5CU 0.8884
469 5QX 0.8883
470 DA4 0.8883
471 PNZ 0.8883
472 SS1 0.8883
473 GTK 0.8882
474 ESI 0.8882
475 H42 0.8881
476 L22 0.8881
477 CRN 0.8880
478 MAH 0.8880
479 KKN 0.8880
480 4FS 0.8880
481 N2Z 0.8880
482 3NT 0.8878
483 ISA 0.8877
484 UGC 0.8877
485 45L 0.8876
486 TLA 0.8876
487 263 0.8874
488 AOT 0.8874
489 5QY 0.8874
490 0JD 0.8872
491 BHA 0.8869
492 1SH 0.8869
493 AMQ 0.8868
494 NDH 0.8868
495 1PT 0.8868
496 NLE 0.8867
497 4XV 0.8867
498 JKE 0.8866
499 Y4L 0.8866
500 KBZ 0.8866
501 DHM 0.8866
502 505 0.8865
503 VXX 0.8864
504 1LN 0.8863
505 QSC 0.8863
506 4JC 0.8863
507 SKM 0.8863
508 DBX 0.8862
509 SYV 0.8862
510 3BU 0.8861
511 1WC 0.8860
512 OMD 0.8860
513 HNK 0.8860
514 RBJ 0.8859
515 DOB 0.8859
516 BZX 0.8859
517 ASN 0.8858
518 4VY 0.8858
519 ONR 0.8858
520 2CK 0.8857
521 4RW 0.8856
522 RTK 0.8856
523 KJU 0.8856
524 HHI 0.8855
525 FQI 0.8855
526 SYN 0.8854
527 PPT 0.8854
528 9R5 0.8852
529 ES7 0.8850
530 DBH 0.8850
531 ZON 0.8849
532 2CL 0.8849
533 BE2 0.8848
534 4VP 0.8848
535 JRB 0.8848
536 4V2 0.8847
537 DHK 0.8847
538 MET 0.8844
539 LYS 0.8844
540 449 0.8843
541 GLY GLY 0.8843
542 0A9 0.8843
543 B09 0.8843
544 P92 0.8842
545 DTY 0.8841
546 PFF 0.8840
547 DER 0.8840
548 5RO 0.8838
549 40E 0.8838
550 IDM 0.8837
551 GBN 0.8836
552 KVV 0.8835
553 5GU 0.8834
554 4CS 0.8834
555 YPN 0.8834
556 DHR 0.8832
557 0F9 0.8831
558 JTH 0.8830
559 2O6 0.8830
560 ISN 0.8830
561 ET2 0.8830
562 KTW 0.8829
563 R9J 0.8829
564 F31 0.8829
565 5WZ 0.8828
566 FHC 0.8828
567 3HA 0.8827
568 JFJ 0.8827
569 DIR 0.8827
570 YOF 0.8826
571 QUS 0.8824
572 IPB 0.8824
573 HSX 0.8823
574 XDK 0.8822
575 1P3 0.8820
576 BPN 0.8820
577 3F0 0.8816
578 OEG 0.8815
579 P80 0.8815
580 SDF 0.8815
581 UNJ 0.8814
582 FUM 0.8814
583 TH7 0.8813
584 URP 0.8813
585 1BN 0.8813
586 FBU 0.8812
587 TAG 0.8810
588 CH9 0.8810
589 61M 0.8810
590 DIN 0.8810
591 A13 0.8809
592 D48 0.8809
593 9ZE 0.8808
594 MTL 0.8808
595 3M0 0.8807
596 AX3 0.8806
597 LNO 0.8806
598 L14 0.8804
599 S24 0.8804
600 LPK 0.8804
601 BSX 0.8804
602 IOS 0.8803
603 CXH 0.8802
604 2HU 0.8802
605 SIN 0.8801
606 2D0 0.8800
607 2F6 0.8799
608 4M0 0.8798
609 BE7 0.8797
610 NSB 0.8795
611 Q06 0.8795
612 ODO 0.8795
613 2C2 0.8794
614 8WT 0.8794
615 4XF 0.8793
616 36R 0.8792
617 TEO 0.8791
618 ORO 0.8790
619 3ID 0.8790
620 5WV 0.8790
621 EYK 0.8790
622 2LP 0.8789
623 2FT 0.8789
624 EOU 0.8789
625 5XB 0.8789
626 DX3 0.8788
627 ES6 0.8786
628 TZL 0.8785
629 TAR 0.8785
630 OVM 0.8784
631 YCP 0.8784
632 KTJ 0.8782
633 SE2 0.8780
634 UN1 0.8780
635 M6W 0.8780
636 MQN 0.8780
637 HNL 0.8778
638 ASO 0.8777
639 HBX 0.8776
640 2CO 0.8775
641 XBT 0.8775
642 4NM 0.8774
643 TTL 0.8774
644 QSH 0.8774
645 TT4 0.8772
646 SOL 0.8772
647 D1X 0.8772
648 XRG 0.8771
649 4MV 0.8770
650 CLW 0.8769
651 NPY 0.8769
652 VNJ 0.8767
653 JYD 0.8767
654 AHC 0.8766
655 ENO 0.8766
656 5NU 0.8766
657 FUD 0.8766
658 42J 0.8765
659 HQ9 0.8764
660 SOR 0.8764
661 LT2 0.8761
662 HNH 0.8760
663 0TU 0.8760
664 6OT 0.8760
665 4XS 0.8760
666 GLO 0.8759
667 DXP 0.8759
668 G3E 0.8758
669 CCU 0.8758
670 PJW 0.8758
671 TZE 0.8757
672 3HG 0.8756
673 14O 0.8755
674 0VT 0.8754
675 RB5 0.8754
676 XYL 0.8754
677 XQ0 0.8753
678 OOG 0.8753
679 HMH 0.8753
680 HPP 0.8752
681 DAS 0.8751
682 J5I 0.8750
683 5HN 0.8750
684 QUZ 0.8750
685 HX2 0.8750
686 N3W 0.8749
687 92G 0.8748
688 E5X 0.8748
689 MZT 0.8746
690 T9G 0.8745
691 XDE 0.8742
692 ALE 0.8742
693 8GC 0.8740
694 9FE 0.8740
695 M1Z 0.8738
696 54D 0.8737
697 5HY 0.8736
698 2RH 0.8736
699 4BZ 0.8735
700 HHA 0.8734
701 VGD 0.8733
702 4BY 0.8733
703 GCO 0.8732
704 5H1 0.8732
705 A7W 0.8730
706 KUF 0.8730
707 DMD 0.8729
708 6DP 0.8729
709 3U4 0.8726
710 JZ4 0.8726
711 9GB 0.8726
712 2FY 0.8724
713 3ZB 0.8724
714 BVA 0.8724
715 PRZ 0.8723
716 PRY 0.8722
717 XUL 0.8721
718 IYR 0.8720
719 MRW 0.8720
720 6RQ 0.8720
721 3SK 0.8719
722 ISD 0.8718
723 XLS 0.8717
724 CN0 0.8717
725 OXC 0.8715
726 ICF 0.8714
727 PKU 0.8711
728 ABN 0.8709
729 LY0 0.8707
730 PG3 0.8707
731 AMC 0.8705
732 BPY 0.8705
733 M2K 0.8705
734 I3E 0.8705
735 7BC 0.8704
736 1XA 0.8703
737 0P6 0.8703
738 MS9 0.8702
739 EHM 0.8701
740 E7Z 0.8700
741 AHN 0.8699
742 SHF 0.8699
743 Q04 0.8699
744 NMJ 0.8698
745 S7J 0.8697
746 428 0.8697
747 HA5 0.8695
748 SDD 0.8695
749 XYH 0.8695
750 DOR 0.8693
751 3MB 0.8693
752 TSS 0.8693
753 51F 0.8693
754 2D8 0.8693
755 JB5 0.8690
756 8CM 0.8690
757 12Q 0.8690
758 C2B 0.8690
759 1Z6 0.8687
760 GLY ALA 0.8686
761 11C 0.8686
762 F60 0.8685
763 3Z8 0.8684
764 SWA 0.8683
765 FBA 0.8682
766 BRT 0.8682
767 5RP 0.8681
768 D3G 0.8681
769 R9Y 0.8681
770 XQI 0.8680
771 IV2 0.8680
772 C2Y 0.8680
773 BHH 0.8679
774 I3A 0.8679
775 MED 0.8675
776 9CA 0.8673
777 4JL 0.8672
778 24W 0.8671
779 0W1 0.8671
780 CWM 0.8670
781 CWS 0.8670
782 1IT 0.8668
783 PSJ 0.8668
784 2HQ 0.8667
785 LYL 0.8664
786 KMT 0.8661
787 5VM 0.8661
788 4XR 0.8661
789 7W4 0.8661
790 IXW 0.8660
791 QIC 0.8660
792 14J 0.8659
793 0NX 0.8657
794 KPC 0.8655
795 2K4 0.8655
796 3CR 0.8654
797 IP0 0.8653
798 RP5 0.8652
799 1DU 0.8652
800 8NB 0.8651
801 1LQ 0.8650
802 1SQ 0.8650
803 GJP 0.8649
804 E7S 0.8649
805 ES0 0.8649
806 A9P 0.8649
807 MWP 0.8647
808 DHC 0.8647
809 ABF 0.8647
810 15E 0.8646
811 5FX 0.8646
812 AHB 0.8645
813 FA3 0.8644
814 HQT 0.8643
815 K97 0.8642
816 SJ5 0.8642
817 5MB 0.8640
818 5MI 0.8639
819 6ME 0.8638
820 HX3 0.8637
821 CFA 0.8635
822 B62 0.8630
823 11S 0.8630
824 TSR 0.8630
825 7UZ 0.8630
826 PEZ 0.8628
827 27B 0.8627
828 IFL 0.8625
829 NVU 0.8624
830 PZM 0.8624
831 GVY 0.8623
832 EGR 0.8623
833 PYF 0.8622
834 MLE 0.8622
835 7W1 0.8620
836 BEA 0.8620
837 56D 0.8619
838 GOJ 0.8617
839 EV0 0.8617
840 G2F 0.8615
841 86J 0.8614
842 ADA 0.8613
843 H8N 0.8610
844 6M9 0.8610
845 9SE 0.8610
846 1NP 0.8610
847 463 0.8609
848 TZM 0.8604
849 IF7 0.8601
850 MP5 0.8601
851 5SG 0.8601
852 6AI 0.8600
853 Q07 0.8600
854 259 0.8600
855 JPZ 0.8600
856 8XL 0.8597
857 4YS 0.8596
858 YZM 0.8594
859 0LH 0.8593
860 94W 0.8591
861 AHR 0.8591
862 ROI 0.8590
863 N5J 0.8590
864 5IQ 0.8590
865 1DW 0.8590
866 ES9 0.8590
867 4NZ 0.8585
868 SKA 0.8583
869 4NB 0.8583
870 P84 0.8581
871 GYE 0.8580
872 NOJ 0.8579
873 DGJ 0.8578
874 DQA 0.8578
875 ES1 0.8576
876 7MK 0.8576
877 24B 0.8576
878 1SV 0.8575
879 AS3 0.8574
880 DDU 0.8572
881 12T 0.8571
882 NOY 0.8569
883 M4E 0.8566
884 OA3 0.8564
885 F9Y 0.8562
886 EA1 0.8560
887 5Q0 0.8560
888 LQ2 0.8557
889 IT2 0.8555
890 1P7 0.8554
891 S7A 0.8553
892 7WV 0.8552
893 PYJ 0.8550
894 FK1 0.8550
895 GZ2 0.8543
896 1MR 0.8543
897 GCU 0.8542
898 RM1 0.8542
899 WOT 0.8540
900 H4N 0.8540
901 GXY 0.8540
902 4SV 0.8538
903 AW5 0.8538
904 34D 0.8535
905 YTX 0.8535
906 F1A 0.8527
907 1WD 0.8520
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3URB; Ligand: DPF; 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: 3urb.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3URB; Ligand: DPF; 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: 3urb.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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