Receptor
PDB id Resolution Class Description Source Keywords
6SZH 1.65 Å EC: 2.5.1.31 ACINETOBACTER BAUMANNII UNDECAPRENYL PYROPHOSPHATE SYNTHASE IN COMPLEX WITH GW197 ACINETOBACTER BAUMANNII INHIBITOR COMPLEX TRANSFERASE
Ref.: COCKTAILED FRAGMENT SCREENING BY X-RAY CRYSTALLOGRA THE ANTIBACTERIAL TARGET UNDECAPRENYL PYROPHOSPHATE FROM ACINETOBACTER BAUMANNII. ACTA CRYSTALLOGR.,SECT.F V. 76 40 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA B:301;
 Part of Protein;
 none;
 submit data
40.078 Ca [Ca+2...
M2H B:302;
 Valid;
 none;
 submit data
120.152 C7 H8 N2 Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6SZG 1.84 Å EC: 2.5.1.31 ACINETOBACTER BAUMANNII UNDECAPRENYL PYROPHOSPHATE SYNTHASE IN COMPLEX WITH GR839 AND GSK513 ACINETOBACTER BAUMANNII INHIBITOR COMPLEX TRANSFERASE
Ref.: COCKTAILED FRAGMENT SCREENING BY X-RAY CRYSTALLOGRA THE ANTIBACTERIAL TARGET UNDECAPRENYL PYROPHOSPHATE FROM ACINETOBACTER BAUMANNII. ACTA CRYSTALLOGR.,SECT.F V. 76 40 2020
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 6SZG - M2K C8 H10 N2 O2 C1CCc2c(c(....
2 6ACS - CIT C6 H8 O7 C(C(=O)O)C....
3 6SZH - M2H C7 H8 N2 Cc1cc([nH]....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 6SZG - M2K C8 H10 N2 O2 C1CCc2c(c(....
2 6ACS - CIT C6 H8 O7 C(C(=O)O)C....
3 6SZH - M2H C7 H8 N2 Cc1cc([nH]....
50% Homology Family (28)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2E9D - B76 C20 H20 O8 P2 c1ccc(cc1)....
2 1X09 Kd = 520 uM IPE C5 H12 O7 P2 CC(=C)CCO[....
3 3TH8 - TH9 C19 H27 N O5 CCCCCCOc1c....
4 5CQJ ic50 = 15.4 uM 53Q C26 H28 Cl N O CCN(CC)CCO....
5 5ZHE - HJX C21 H34 O4 CCCCCCCCCC....
6 1V7U - FPP C15 H28 O7 P2 CC(=CCC/C(....
7 2E9C - B75 C24 H23 N O9 P2 S c1ccc2cc(c....
8 2E9A - B28 C20 H20 O7 P2 c1ccc(cc1)....
9 1X06 - FPS C15 H28 O6 P2 S CC(=CCC/C(....
10 1X07 Kd = 520 uM IPE C5 H12 O7 P2 CC(=C)CCO[....
11 2E98 - B29 C20 H18 O8 P2 c1ccc2c(c1....
12 3WYJ ic50 = 0.36 uM H78 C34 H36 N2 O18 P4 S2 c1cc(cc(c1....
13 1X08 Kd = 520 uM IPE C5 H12 O7 P2 CC(=C)CCO[....
14 2E99 - B08 C20 H20 O7 P2 c1ccc(cc1)....
15 2VG2 - IPE C5 H12 O7 P2 CC(=C)CCO[....
16 4ONC Kd = 410 nM 40B C19 H18 O7 P2 c1ccc(cc1)....
17 6IME - GST C10 H20 O6 P2 S CC(=CCCC(=....
18 2VG3 - GPP C10 H20 O7 P2 CC(=CCC/C(....
19 5HC8 - PIS H3 O6 P2 S OP(=O)(O)O....
20 5HC7 - DST C5 H12 O6 P2 S CC(=CCS[P@....
21 4Q9O Kd = 1.7 uM 2ZW C20 H19 Cl N2 O2 Cc1c(c(no1....
22 4Q9M Kd = 66 nM 2ZW C20 H19 Cl N2 O2 Cc1c(c(no1....
23 4U82 ic50 = 1.9 uM FPS C15 H28 O6 P2 S CC(=CCC/C(....
24 2VG1 - FPP C15 H28 O7 P2 CC(=CCC/C(....
25 2VG0 - GPP C10 H20 O7 P2 CC(=CCC/C(....
26 6SZG - M2K C8 H10 N2 O2 C1CCc2c(c(....
27 6ACS - CIT C6 H8 O7 C(C(=O)O)C....
28 6SZH - M2H C7 H8 N2 Cc1cc([nH]....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: M2H; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 M2H 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: M2H; Similar ligands found: 707
No: Ligand Similarity coefficient
1 AHR 0.9833
2 47J 0.9804
3 2DR 0.9743
4 284 0.9625
5 4ZC 0.9563
6 CRS 0.9546
7 RCO 0.9541
8 285 0.9535
9 FYU 0.9531
10 HMH 0.9531
11 JZ3 0.9517
12 4H2 0.9494
13 M3T 0.9493
14 3CH 0.9490
15 C2A 0.9488
16 LG3 0.9486
17 GLC 0.9473
18 H76 0.9470
19 LG5 0.9467
20 URA 0.9465
21 BVF 0.9464
22 B3R 0.9448
23 R8S 0.9440
24 FP1 0.9434
25 ZZT 0.9433
26 XYP 0.9428
27 286 0.9424
28 8GF 0.9420
29 CYT 0.9417
30 26D 0.9416
31 HEW 0.9415
32 2A7 0.9411
33 CIG 0.9397
34 DTL 0.9393
35 3XX 0.9390
36 RSF 0.9389
37 3Z7 0.9383
38 1DW 0.9358
39 HGQ 0.9358
40 24B 0.9356
41 HMU 0.9355
42 0R0 0.9350
43 P3K 0.9345
44 E60 0.9343
45 278 0.9328
46 24T 0.9324
47 NOJ 0.9324
48 H3M 0.9322
49 S76 0.9312
50 13X 0.9305
51 261 0.9297
52 280 0.9289
53 2ZX 0.9285
54 AX2 0.9282
55 NMJ 0.9272
56 9DG 0.9267
57 RM1 0.9262
58 TM7 0.9260
59 5AN 0.9256
60 DUC 0.9255
61 OHG 0.9254
62 GIF 0.9253
63 141 0.9252
64 HHQ 0.9250
65 8H8 0.9246
66 XAN 0.9244
67 LXC 0.9243
68 6MH 0.9242
69 4SD 0.9242
70 GUN 0.9241
71 2AL 0.9241
72 NK 0.9240
73 GAB 0.9239
74 GTQ 0.9236
75 IDH 0.9236
76 ABN 0.9236
77 DFB 0.9231
78 3AY 0.9228
79 AZG 0.9228
80 5ZE 0.9226
81 AMC 0.9224
82 23W 0.9223
83 23A 0.9222
84 RIB 0.9222
85 A2F 0.9221
86 BE2 0.9221
87 TLD 0.9219
88 6AP 0.9218
89 2YU 0.9218
90 8GC 0.9217
91 HSE 0.9217
92 TM4 0.9214
93 3SK 0.9211
94 SAL 0.9211
95 IGA 0.9211
96 290 0.9209
97 BEW 0.9209
98 XBZ 0.9208
99 OVV 0.9208
100 WDL 0.9205
101 6CS 0.9197
102 3ZQ 0.9197
103 3NT 0.9196
104 1XM 0.9193
105 HYN 0.9192
106 3HB 0.9192
107 2CM 0.9190
108 M1E 0.9188
109 4CS 0.9188
110 DX4 0.9186
111 LZM 0.9185
112 2MY 0.9184
113 4HM 0.9184
114 9X7 0.9183
115 6GU 0.9182
116 JKE 0.9178
117 BZX 0.9178
118 DUB 0.9177
119 6AI 0.9177
120 5H1 0.9173
121 F81 0.9172
122 PYG 0.9171
123 OXE 0.9169
124 CFP 0.9167
125 Z6J 0.9166
126 6UA 0.9166
127 9TZ 0.9166
128 5RG 0.9165
129 HBX 0.9163
130 YAN 0.9162
131 ERH 0.9161
132 L89 0.9161
133 R8A 0.9160
134 CAQ 0.9159
135 4ZE 0.9155
136 F60 0.9154
137 ZZ3 0.9152
138 25T 0.9151
139 2K4 0.9150
140 14O 0.9148
141 JBE 0.9148
142 PYF 0.9147
143 3AB 0.9147
144 YH7 0.9147
145 94N 0.9146
146 5MI 0.9145
147 MZW 0.9145
148 2AF 0.9144
149 40O 0.9143
150 TH0 0.9143
151 53C 0.9143
152 TCZ 0.9142
153 NSP 0.9142
154 DIE 0.9138
155 IP0 0.9137
156 282 0.9136
157 II6 0.9136
158 11S 0.9135
159 WBU 0.9135
160 BCP 0.9134
161 FPI 0.9132
162 MCT 0.9131
163 5UC 0.9127
164 F0J 0.9126
165 5MH 0.9126
166 7WV 0.9124
167 54G 0.9122
168 7WG 0.9121
169 5AC 0.9120
170 HBA 0.9120
171 URF 0.9120
172 I3A 0.9120
173 FP2 0.9119
174 1WD 0.9118
175 7HQ 0.9114
176 3FA 0.9112
177 XQG 0.9112
178 5M0 0.9111
179 FW5 0.9109
180 BR8 0.9107
181 92Z 0.9107
182 5OB 0.9105
183 HPA 0.9105
184 MMZ 0.9105
185 H4N 0.9103
186 3U4 0.9101
187 ES6 0.9101
188 6LW 0.9100
189 1AN 0.9099
190 FRU 0.9098
191 ICP 0.9097
192 WCE 0.9096
193 SVN 0.9095
194 4SV 0.9095
195 MBD 0.9092
196 GAG 0.9092
197 PHB 0.9091
198 KOJ 0.9090
199 2C9 0.9090
200 5MK 0.9090
201 A1U 0.9088
202 V55 0.9088
203 TMZ 0.9088
204 5HN 0.9087
205 XYD 0.9086
206 TMT 0.9086
207 GMN 0.9085
208 3MH 0.9084
209 FK1 0.9083
210 CEJ 0.9083
211 OXQ 0.9080
212 JZ1 0.9080
213 2CH 0.9077
214 FA0 0.9077
215 BRT 0.9076
216 SYN 0.9070
217 HT4 0.9069
218 IPB 0.9068
219 9HX 0.9067
220 8LG 0.9064
221 B55 0.9062
222 SX1 0.9062
223 GBD 0.9062
224 938 0.9060
225 3OC 0.9060
226 4XR 0.9060
227 FLM 0.9059
228 JZ0 0.9058
229 9DA 0.9057
230 URC 0.9054
231 IFM 0.9054
232 EUG 0.9053
233 76X 0.9052
234 HH5 0.9051
235 14J 0.9048
236 HIU 0.9047
237 TDR 0.9047
238 BZ3 0.9047
239 DTI 0.9047
240 3CE 0.9046
241 3BZ 0.9046
242 BR9 0.9046
243 ADE 0.9044
244 275 0.9044
245 MWM 0.9044
246 NBE 0.9042
247 QOS 0.9042
248 PY7 0.9042
249 8TX 0.9042
250 GYE 0.9036
251 AZA 0.9036
252 BHA 0.9035
253 6M9 0.9035
254 XBT 0.9035
255 PCA 0.9034
256 IFL 0.9033
257 HPY 0.9033
258 FFP 0.9032
259 2AC 0.9031
260 5XC 0.9030
261 PM6 0.9028
262 XYS 0.9027
263 60P 0.9021
264 3DM 0.9020
265 93Q 0.9020
266 7HP 0.9018
267 5CU 0.9017
268 XUL 0.9017
269 TIU 0.9016
270 2XX 0.9015
271 4HO 0.9014
272 PYD 0.9013
273 34A 0.9009
274 HY3 0.9009
275 RSO 0.9008
276 DMG 0.9008
277 6MP 0.9007
278 4JJ 0.9004
279 AZF 0.9004
280 6M4 0.9004
281 UEG 0.9003
282 GXE 0.9003
283 DOB 0.9003
284 BP1 0.9002
285 9EW 0.9001
286 12M 0.8998
287 4M0 0.8995
288 1MR 0.8995
289 HAI 0.8994
290 HX3 0.8993
291 5JC 0.8993
292 HLR 0.8992
293 2MP 0.8992
294 KG7 0.8991
295 SWD 0.8988
296 JAE 0.8988
297 27Y 0.8985
298 10L 0.8984
299 JZ2 0.8982
300 0CU 0.8981
301 BTY 0.8981
302 MLT 0.8981
303 HTS 0.8979
304 8IG 0.8978
305 NEQ 0.8973
306 F05 0.8972
307 43M 0.8972
308 OXZ 0.8970
309 BTE 0.8970
310 OVM 0.8968
311 9YL 0.8967
312 TAR 0.8967
313 5NU 0.8965
314 Q88 0.8964
315 4CL 0.8964
316 7CZ 0.8963
317 MZG 0.8959
318 5JL 0.8957
319 MWJ 0.8955
320 DMI 0.8955
321 KIB 0.8953
322 TTO 0.8952
323 DTU 0.8952
324 R9S 0.8950
325 P2D 0.8950
326 JIF 0.8949
327 F9Y 0.8948
328 TZE 0.8947
329 1MC 0.8946
330 5JQ 0.8945
331 1DH 0.8944
332 G5V 0.8941
333 HGW 0.8941
334 OXC 0.8940
335 51F 0.8939
336 6X8 0.8938
337 7WA 0.8934
338 GOO 0.8933
339 OAA 0.8933
340 HHN 0.8932
341 BP9 0.8931
342 RB5 0.8929
343 ORO 0.8928
344 PIH 0.8926
345 IPH 0.8926
346 1XN 0.8925
347 MB3 0.8925
348 4JL 0.8925
349 PEA 0.8921
350 KSW 0.8920
351 3HA 0.8919
352 ASO 0.8919
353 CWM 0.8918
354 Y8I 0.8916
355 DBH 0.8914
356 1LN 0.8912
357 MLA 0.8911
358 717 0.8911
359 3F0 0.8910
360 PE0 0.8910
361 5MB 0.8909
362 FPK 0.8909
363 3MB 0.8908
364 MBN 0.8906
365 M5K 0.8903
366 BZI 0.8902
367 4M4 0.8901
368 25R 0.8901
369 MLI 0.8898
370 1P3 0.8898
371 PXY 0.8894
372 NOY 0.8893
373 3M0 0.8891
374 H42 0.8891
375 ES4 0.8889
376 OW4 0.8887
377 JFJ 0.8887
378 EV0 0.8887
379 DEN 0.8886
380 SJ5 0.8886
381 4VP 0.8885
382 FBA 0.8884
383 BSX 0.8884
384 H8N 0.8882
385 ES9 0.8881
386 HVQ 0.8881
387 4JO 0.8880
388 M0W 0.8879
389 3PY 0.8875
390 Q24 0.8874
391 9MG 0.8874
392 AJ2 0.8874
393 NXA 0.8873
394 APY 0.8873
395 1DU 0.8871
396 NVI 0.8870
397 4JP 0.8870
398 PCR 0.8869
399 2KT 0.8868
400 PDC 0.8866
401 SER 0.8866
402 HQE 0.8863
403 AQO 0.8861
404 IUR 0.8861
405 V1L 0.8859
406 J9W 0.8859
407 MSN 0.8858
408 KYD 0.8856
409 WOT 0.8856
410 8CL 0.8855
411 GVH 0.8854
412 COU 0.8852
413 HSL 0.8851
414 PYJ 0.8850
415 4XX 0.8850
416 LRH 0.8848
417 2AP 0.8848
418 MPI 0.8846
419 YTB 0.8846
420 PXL 0.8845
421 3AP 0.8845
422 IPZ 0.8844
423 LG4 0.8843
424 DOR 0.8843
425 MRY 0.8842
426 6PC 0.8842
427 2AQ 0.8840
428 KP6 0.8839
429 ABV 0.8839
430 C5J 0.8838
431 IHG 0.8838
432 Q6T 0.8836
433 IND 0.8836
434 2D0 0.8836
435 HVK 0.8833
436 ASP 0.8832
437 NCA 0.8832
438 2MI 0.8832
439 JBK 0.8832
440 BEZ 0.8831
441 BAM 0.8831
442 EYK 0.8831
443 IDM 0.8830
444 SR1 0.8830
445 NIO 0.8828
446 XRG 0.8827
447 PLQ 0.8827
448 GAL 0.8826
449 DA1 0.8826
450 PZA 0.8826
451 34D 0.8825
452 FQI 0.8825
453 R2B 0.8823
454 4AP 0.8821
455 D1X 0.8821
456 4FS 0.8820
457 HSM 0.8820
458 7VS 0.8818
459 DFU 0.8817
460 TEO 0.8817
461 LGA 0.8817
462 FE DB1 0.8814
463 B24 0.8814
464 0MK 0.8814
465 B53 0.8811
466 JB5 0.8811
467 3MA 0.8809
468 4HC 0.8808
469 JFD 0.8808
470 PZI 0.8808
471 LMR 0.8807
472 MNM 0.8807
473 03V 0.8807
474 M1Q 0.8806
475 PXM 0.8805
476 M1H 0.8805
477 FPN 0.8805
478 8NY 0.8803
479 QBK 0.8802
480 BEN 0.8799
481 7NI 0.8799
482 2H5 0.8795
483 JZ9 0.8795
484 ADK 0.8794
485 PRZ 0.8794
486 OVP 0.8792
487 P9P 0.8791
488 BNS 0.8789
489 ES5 0.8788
490 270 0.8786
491 DMD 0.8786
492 42C 0.8786
493 7N0 0.8786
494 7MH 0.8786
495 9CL 0.8786
496 ES2 0.8784
497 T6C 0.8784
498 9PO 0.8783
499 KIA 0.8782
500 AW5 0.8781
501 HRZ 0.8781
502 KBB 0.8780
503 4NC 0.8780
504 HXX 0.8780
505 INO 0.8779
506 4JT 0.8776
507 VGD 0.8774
508 1XX 0.8774
509 FDB 0.8773
510 BVC 0.8771
511 FB1 0.8771
512 1P8 0.8771
513 UNU 0.8769
514 AX7 0.8768
515 4CH 0.8767
516 TH7 0.8767
517 KKN 0.8767
518 RIP 0.8765
519 J1Z 0.8764
520 ISN 0.8763
521 OCH 0.8762
522 0TR 0.8760
523 FAN 0.8760
524 JA8 0.8759
525 7MU 0.8759
526 FUC 0.8757
527 NNO 0.8757
528 3AL 0.8757
529 4XS 0.8756
530 FUF 0.8756
531 DHB 0.8755
532 6HQ 0.8754
533 ET2 0.8754
534 AKH 0.8753
535 5VM 0.8753
536 1P7 0.8752
537 PBC 0.8752
538 E7Z 0.8750
539 FBW 0.8749
540 JAB 0.8748
541 TBP 0.8746
542 MYJ 0.8746
543 XAZ 0.8746
544 3MC 0.8744
545 NTN 0.8743
546 M58 0.8740
547 SS2 0.8738
548 LER 0.8736
549 150 0.8735
550 SF9 0.8733
551 SF6 0.8733
552 3DO 0.8731
553 J9T 0.8729
554 DHR 0.8729
555 XCZ 0.8728
556 BMA 0.8728
557 FHB 0.8727
558 JLZ 0.8726
559 4A3 0.8725
560 VGL 0.8725
561 FOA 0.8724
562 GLA 0.8723
563 FBV 0.8722
564 P92 0.8721
565 QUZ 0.8720
566 HCS 0.8720
567 EDG 0.8720
568 4XH 0.8719
569 93K 0.8718
570 BZF 0.8717
571 24W 0.8717
572 1AB 0.8715
573 0R1 0.8715
574 PD2 0.8715
575 FPY 0.8714
576 1LM 0.8713
577 JBH 0.8712
578 AC0 0.8712
579 JPZ 0.8712
580 5WX 0.8712
581 ES1 0.8710
582 1LQ 0.8709
583 DBJ 0.8708
584 DRL 0.8708
585 4HS 0.8708
586 FCA 0.8705
587 FUL 0.8705
588 EA1 0.8704
589 DBX 0.8703
590 M1A 0.8702
591 2CQ 0.8702
592 NBZ 0.8701
593 93B 0.8700
594 4YS 0.8700
595 32O 0.8699
596 KJU 0.8699
597 ADZ 0.8699
598 5Q0 0.8699
599 XYL 0.8698
600 LZ1 0.8696
601 DHK 0.8696
602 PAB 0.8694
603 AS3 0.8694
604 CHB 0.8693
605 QSB 0.8692
606 9TY 0.8692
607 BML 0.8691
608 3HM 0.8691
609 1NP 0.8690
610 4Z4 0.8689
611 GRE 0.8687
612 NPY 0.8686
613 3ID 0.8685
614 36R 0.8684
615 HH8 0.8684
616 4JN 0.8682
617 3R6 0.8681
618 HQY 0.8680
619 IHB 0.8678
620 2BG 0.8678
621 LFR 0.8678
622 UGC 0.8676
623 L3Q 0.8676
624 9TW 0.8672
625 MO8 0.8671
626 PYC 0.8669
627 HHA 0.8668
628 CLW 0.8667
629 6F0 0.8665
630 YRL 0.8664
631 1SQ 0.8663
632 JZ4 0.8660
633 51R 0.8659
634 O7U 0.8656
635 67N 0.8655
636 O72 0.8654
637 MAN 0.8654
638 G4D 0.8649
639 ES0 0.8649
640 F4Z 0.8646
641 PHT 0.8644
642 2ZV 0.8642
643 SS1 0.8642
644 69O 0.8640
645 PRY 0.8640
646 ES7 0.8638
647 NPO 0.8638
648 VOH 0.8637
649 MAK 0.8637
650 NTM 0.8636
651 XQ0 0.8634
652 IJZ 0.8634
653 0HO 0.8634
654 4MU 0.8634
655 C2U 0.8633
656 1F1 0.8632
657 TP5 0.8631
658 4AX 0.8631
659 0CT 0.8629
660 HJP 0.8627
661 KLW 0.8627
662 XIY 0.8625
663 FOT 0.8625
664 QWW 0.8625
665 6M1 0.8624
666 5B1 0.8621
667 DPF 0.8619
668 YSO 0.8618
669 M6N 0.8617
670 KT7 0.8617
671 QWN 0.8612
672 QSC 0.8611
673 QX2 0.8611
674 SMV 0.8610
675 8G0 0.8610
676 TC7 0.8608
677 4JM 0.8606
678 6NT 0.8606
679 265 0.8605
680 2LP 0.8600
681 VPR 0.8600
682 2ZM 0.8599
683 HY1 0.8598
684 JBN 0.8595
685 0HN 0.8591
686 45L 0.8590
687 35C 0.8587
688 1WG 0.8584
689 2F6 0.8580
690 XLS 0.8579
691 3NY 0.8575
692 2HU 0.8570
693 2EZ 0.8570
694 K2T 0.8568
695 KJY 0.8567
696 A7W 0.8567
697 45C 0.8565
698 GDE 0.8565
699 QXW 0.8562
700 UNC 0.8557
701 K5W 0.8553
702 LSA 0.8550
703 F12 0.8544
704 8EW 0.8535
705 6NI 0.8535
706 AZ8 0.8532
707 SOE 0.8510
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6SZG; Ligand: M2E; 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: 6szg.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6SZG; Ligand: M2K; 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: 6szg.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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