Receptor
PDB id Resolution Class Description Source Keywords
2Y91 2 Å EC: 3.5.2.6 CRYSTAL STRUCTURE OF CLASS A BETA-LACTAMASE FROM BACILLUS LICHENIFORMIS BS3 WITH CLAVULANIC ACID BACILLUS LICHENIFORMIS HYDROLASE
Ref.: NOVEL FRAGMENTS OF CLAVULANATE OBSERVED IN THE STRU THE CLASS A BETA-LACTAMASE FROM BACILLUS LICHENIFOR J.ANTIMICROB.CHEMOTHER. V. 67 2379 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
98J A:1293;
B:1293;
B:1294;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
132.115 C5 H8 O4 C(CO)...
CIT A:1294;
Invalid;
none;
submit data
192.124 C6 H8 O7 C(C(=...
PGE A:1295;
Invalid;
none;
submit data
150.173 C6 H14 O4 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2Y91 2 Å EC: 3.5.2.6 CRYSTAL STRUCTURE OF CLASS A BETA-LACTAMASE FROM BACILLUS LICHENIFORMIS BS3 WITH CLAVULANIC ACID BACILLUS LICHENIFORMIS HYDROLASE
Ref.: NOVEL FRAGMENTS OF CLAVULANATE OBSERVED IN THE STRU THE CLASS A BETA-LACTAMASE FROM BACILLUS LICHENIFOR J.ANTIMICROB.CHEMOTHER. V. 67 2379 2012
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 48 families.
1 3SOI - CIT C6 H8 O7 C(C(=O)O)C....
2 2Y91 - 98J C5 H8 O4 C(CO)C(=O)....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 41 families.
1 3SOI - CIT C6 H8 O7 C(C(=O)O)C....
2 2Y91 - 98J C5 H8 O4 C(CO)C(=O)....
3 1W7F - ICT C6 H8 O7 C([C@@H]([....
50% Homology Family (57)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 23 families.
1 5EOE - CIT C6 H8 O7 C(C(=O)O)C....
2 5EOO - CIT C6 H8 O7 C(C(=O)O)C....
3 6XJ8 Kd = 220 uM 8YF C12 H19 N3 O5 S [H]/N=C/NC....
4 6MEY Ki = 479 uM O5E C15 H14 N6 O c1ccc(cc1)....
5 6D15 Ki = 32.9 uM TWB C12 H13 O5 P Cc1cc2c(cc....
6 6D18 Ki = 1.4 uM GTV C12 H13 O5 P Cc1cc(c2c(....
7 6D17 Ki = 15.3 uM VKE C11 H9 O7 P c1c2c(cc3c....
8 6XD7 - ZZ7 C16 H21 N3 O5 S CC1([C@@H]....
9 6V1J - QNA C10 H9 B F O5 [B-]1([C@@....
10 6M7I Ki = 386 uM J84 C10 H7 Cl2 N7 c1cc(c(cc1....
11 5UJ3 - CE4 C14 H15 N5 O6 S2 CO/N=C(/c1....
12 6D16 Ki = 8.4 uM FUJ C11 H11 O6 P COc1ccc2c(....
13 6D19 Ki = 0.246 uM YKG C11 H10 Br O5 P Cc1cc2c(c(....
14 6MLL Ki = 239 uM N1G C17 H13 N7 O c1ccc(cc1)....
15 5UJ4 - SFR C12 H17 N O6 S C[C@H]([C@....
16 6MNP - 1CE C12 H12 N6 O S C1CCc2c(c3....
17 3BFF - FPM C12 H15 N O5 S C[C@H]([C@....
18 6B68 - 9F2 C18 H18 N8 O7 S3 CN1C(=NC(=....
19 6B6F - 9F2 C18 H18 N8 O7 S3 CN1C(=NC(=....
20 6B69 - 9F2 C18 H18 N8 O7 S3 CN1C(=NC(=....
21 6B6A - 9F2 C18 H18 N8 O7 S3 CN1C(=NC(=....
22 4QB8 - 1TE C16 H21 N3 O4 S2 C[C@@H]1[C....
23 6B6C - 9F2 C18 H18 N8 O7 S3 CN1C(=NC(=....
24 6B6D - 9F2 C18 H18 N8 O7 S3 CN1C(=NC(=....
25 3NY4 - SMX C18 H18 N6 O5 S2 Cn1c(nnn1)....
26 6B6E - 9F2 C18 H18 N8 O7 S3 CN1C(=NC(=....
27 6CYU - CE4 C14 H15 N5 O6 S2 CO/N=C(/c1....
28 5TWE - CAZ C17 H19 N5 O7 S2 CC(C)(C(=O....
29 4XXR - JSC C22 H17 N2 O6 Ru S CC1([C@@H]....
30 6MIA - 1CE C12 H12 N6 O S C1CCc2c(c3....
31 3G31 Ki = 1.3 mM GF1 C12 H15 N O4 C[C@@H](C(....
32 3G34 Ki = 1.1 mM 1CE C12 H12 N6 O S C1CCc2c(c3....
33 3HLW - CE3 C16 H17 N5 O7 S2 CC(=O)OCC1....
34 3G30 Ki = 3.1 mM G30 C11 H9 F2 N O3 c1cc(c(cc1....
35 6CYQ - CE4 C14 H15 N5 O6 S2 CO/N=C(/c1....
36 3HVF - PNK C16 H20 N2 O5 S CC1([C@@H]....
37 3G32 Ki = 0.194 mM 3G3 C11 H9 N5 O2 c1ccc2c(c1....
38 3G2Z Ki = 4.4 mM GZ2 C7 H9 N5 O C1CC(=CC(=....
39 6BU3 Ki = 0.28 uM 3GK C16 H10 F3 N7 O c1cc(cc(c1....
40 3G35 Ki = 0.021 mM F13 C14 H10 F N5 O c1cc(cc(c1....
41 5FQJ - 6NT C6 H4 N4 O2 c1cc2c(cc1....
42 6TY6 - 6NT C6 H4 N4 O2 c1cc2c(cc1....
43 5FQK Kd = 15.8 uM 6NT C6 H4 N4 O2 c1cc2c(cc1....
44 5NE2 Ki = 84 pM DGL C5 H9 N O4 C(CC(=O)O)....
45 6QW7 - DSN C3 H7 N O3 C([C@H](C(....
46 2ZD8 - MER C17 H27 N3 O5 S C[C@@H]1[C....
47 1VM1 - TAZ C10 H12 N4 O5 S C[C@@]1([C....
48 3MKE - CZ6 C16 H25 B N4 O6 S B1(O[C@H](....
49 4FH2 - 0RN C8 H11 N O5 S CC1([C@@H]....
50 3SOI - CIT C6 H8 O7 C(C(=O)O)C....
51 2Y91 - 98J C5 H8 O4 C(CO)C(=O)....
52 1PZP Ki = 480 uM FTA C16 H13 N7 c1ccc(cc1)....
53 1PZO Ki = 460 uM CBT C15 H13 Cl2 N5 c1cc(ccc1C....
54 1NY0 - NBF C14 H16 B N O4 B(CNC(=O)c....
55 1NXY - SM2 C14 H14 B N O5 S B([C@H](c1....
56 3P98 - CIT C6 H8 O7 C(C(=O)O)C....
57 1W7F - ICT C6 H8 O7 C([C@@H]([....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 98J; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 98J 1 1
2 3OH 0.571429 0.695652
3 6JN 0.478261 0.695652
4 MLA 0.428571 0.608696
Similar Ligands (3D)
Ligand no: 1; Ligand: 98J; Similar ligands found: 665
No: Ligand Similarity coefficient
1 CIZ 0.9789
2 ASN 0.9724
3 ASP 0.9716
4 AG2 0.9696
5 OAA 0.9670
6 LMR 0.9644
7 SIN 0.9641
8 HDA 0.9634
9 HZP 0.9610
10 MLT 0.9602
11 IHG 0.9580
12 LEU 0.9572
13 8EW 0.9564
14 ITN 0.9559
15 DAS 0.9538
16 KMH 0.9523
17 JYD 0.9519
18 2RH 0.9507
19 UGC 0.9506
20 3SK 0.9500
21 IOM 0.9496
22 FUM 0.9489
23 GUA 0.9488
24 DGL 0.9487
25 IXW 0.9462
26 CMS 0.9456
27 TEO 0.9448
28 GLU 0.9445
29 BE2 0.9429
30 GLN 0.9428
31 NLE 0.9419
32 MAE 0.9416
33 UYA 0.9413
34 PEL 0.9413
35 PCA 0.9409
36 ORN 0.9408
37 SRT 0.9406
38 AL0 0.9404
39 AHB 0.9402
40 CRN 0.9395
41 SAL 0.9383
42 49F 0.9380
43 AKG 0.9377
44 3U4 0.9377
45 HTX 0.9375
46 TLA 0.9368
47 MEV 0.9368
48 F9P 0.9366
49 OEM 0.9364
50 CXF 0.9363
51 6NA 0.9361
52 GGL 0.9359
53 2IT 0.9359
54 HIO 0.9355
55 PAF 0.9353
56 COI 0.9353
57 4MV 0.9349
58 DPF 0.9344
59 KPL 0.9339
60 JKE 0.9336
61 URP 0.9334
62 HSE 0.9333
63 9X7 0.9324
64 NIO 0.9323
65 3SL 0.9322
66 PPR 0.9320
67 TIU 0.9317
68 ONL 0.9316
69 NCA 0.9315
70 CSS 0.9315
71 3AB 0.9310
72 9ON 0.9309
73 HL5 0.9307
74 BAM 0.9306
75 DCL 0.9306
76 URA 0.9302
77 TAR 0.9297
78 OKG 0.9296
79 2CO 0.9289
80 BEN 0.9288
81 VAL 0.9285
82 FBJ 0.9282
83 ABU 0.9279
84 LNO 0.9279
85 DMV 0.9277
86 3HG 0.9276
87 PG3 0.9276
88 OHG 0.9275
89 PEP 0.9274
90 9X6 0.9272
91 1SA 0.9272
92 HSM 0.9272
93 SHF 0.9271
94 MRY 0.9271
95 DAB 0.9271
96 HX2 0.9268
97 IZC 0.9268
98 SSN 0.9267
99 MET 0.9263
100 4SD 0.9262
101 7A8 0.9261
102 KIV 0.9260
103 HCS 0.9258
104 VGL 0.9257
105 MUC 0.9255
106 SHV 0.9252
107 PG0 0.9246
108 NXA 0.9245
109 SPA 0.9243
110 HBA 0.9236
111 TZL 0.9236
112 NVA 0.9236
113 KMT 0.9233
114 ROR 0.9231
115 CRS 0.9231
116 BEZ 0.9227
117 WTZ 0.9224
118 BNS 0.9224
119 HYP 0.9223
120 OK7 0.9221
121 GZ3 0.9215
122 H95 0.9214
123 PGA 0.9214
124 26D 0.9213
125 SPV 0.9212
126 0V5 0.9212
127 PEQ 0.9212
128 DGN 0.9208
129 GAB 0.9208
130 FW5 0.9207
131 2AS 0.9200
132 QFH 0.9200
133 XM0 0.9199
134 13P 0.9195
135 UY7 0.9192
136 AMH 0.9190
137 ZBT 0.9189
138 K6V 0.9188
139 XLS 0.9185
140 FPY 0.9185
141 RSO 0.9185
142 ILE 0.9183
143 PBC 0.9182
144 MLE 0.9181
145 THR 0.9180
146 1CO 0.9179
147 ACA 0.9178
148 6PC 0.9177
149 AKB 0.9176
150 URQ 0.9175
151 XUL 0.9175
152 THE 0.9174
153 VKC 0.9174
154 I2M 0.9172
155 7N0 0.9172
156 SC2 0.9170
157 HPY 0.9170
158 PZI 0.9167
159 NMG 0.9166
160 23B 0.9163
161 AUD 0.9157
162 G3P 0.9157
163 2DR 0.9155
164 XBT 0.9153
165 23W 0.9151
166 NTN 0.9150
167 CFI 0.9150
168 3OC 0.9150
169 EHM 0.9149
170 LEA 0.9147
171 MAH 0.9146
172 CP 0.9142
173 S8V 0.9141
174 SS2 0.9140
175 QDK 0.9139
176 LER 0.9139
177 TP5 0.9138
178 HY1 0.9137
179 PAE 0.9136
180 RSF 0.9136
181 HIS 0.9135
182 RIP 0.9134
183 8GC 0.9133
184 4SV 0.9129
185 AMC 0.9124
186 XYL 0.9121
187 RB5 0.9121
188 RB0 0.9121
189 9J3 0.9120
190 MD0 0.9119
191 RBL 0.9116
192 MPD 0.9113
193 SYN 0.9110
194 DUC 0.9109
195 9YL 0.9109
196 JZ1 0.9105
197 1SP 0.9102
198 VAH 0.9101
199 69O 0.9100
200 GLL 0.9099
201 PAH 0.9099
202 PRO 0.9099
203 DTL 0.9098
204 FCN 0.9098
205 5AC 0.9098
206 4XR 0.9094
207 O7U 0.9093
208 IDH 0.9092
209 NK 0.9089
210 5XB 0.9089
211 FOC 0.9088
212 0VT 0.9087
213 ABN 0.9086
214 OVV 0.9086
215 WBU 0.9081
216 C21 0.9080
217 HPA 0.9080
218 URF 0.9078
219 SKJ 0.9077
220 5FX 0.9077
221 X1S 0.9077
222 6M4 0.9076
223 S0H 0.9075
224 2FT 0.9074
225 BZX 0.9074
226 SER 0.9073
227 PGH 0.9072
228 SS1 0.9071
229 SD4 0.9070
230 ADE 0.9067
231 YIV 0.9067
232 KOJ 0.9065
233 4CS 0.9065
234 FUL 0.9065
235 16D 0.9063
236 GG6 0.9063
237 7VD 0.9063
238 FUF 0.9062
239 PCT 0.9061
240 3S5 0.9061
241 271 0.9060
242 FOA 0.9059
243 DFU 0.9058
244 5XA 0.9058
245 TFB 0.9057
246 OCT 0.9057
247 S2G 0.9056
248 1LN 0.9053
249 3HB 0.9053
250 UNU 0.9051
251 HSO 0.9051
252 JZ3 0.9050
253 7HP 0.9048
254 HMU 0.9048
255 FEH 0.9047
256 G3H 0.9044
257 HYA 0.9044
258 7BC 0.9044
259 OEG 0.9043
260 FUC 0.9043
261 R9M 0.9042
262 C2A 0.9041
263 DSN 0.9041
264 CYS 0.9038
265 PBE 0.9036
266 DYA 0.9034
267 DXX 0.9034
268 A20 0.9031
269 3V4 0.9031
270 FLA 0.9030
271 GAG 0.9029
272 ALO 0.9029
273 ACH 0.9028
274 1P3 0.9028
275 RNS 0.9026
276 3PG 0.9025
277 PZA 0.9025
278 HGQ 0.9025
279 HGA 0.9024
280 NBZ 0.9022
281 R1X 0.9022
282 YCP 0.9022
283 O8Y 0.9021
284 1GP 0.9020
285 129 0.9017
286 DAV 0.9015
287 9TY 0.9014
288 2PC 0.9010
289 HY3 0.9009
290 284 0.9009
291 LYS 0.9008
292 OXQ 0.9008
293 MHO 0.9008
294 OSE 0.9006
295 3PP 0.9006
296 CCE 0.9006
297 8EZ 0.9004
298 ICF 0.9003
299 SKG 0.9003
300 273 0.9000
301 2KT 0.8997
302 40E 0.8997
303 T2C 0.8996
304 ECE 0.8996
305 FPI 0.8995
306 APY 0.8995
307 CXL 0.8994
308 SHO 0.8993
309 PYJ 0.8993
310 BHH 0.8991
311 DBB 0.8990
312 3NT 0.8990
313 PLU 0.8986
314 MED 0.8985
315 DGY 0.8984
316 24B 0.8983
317 2HG 0.8981
318 QSC 0.8981
319 SGL 0.8978
320 NLP 0.8977
321 2MH 0.8974
322 CYX 0.8972
323 282 0.8970
324 MEQ 0.8969
325 3HL 0.8968
326 GBD 0.8963
327 TZE 0.8962
328 OPE 0.8962
329 ES6 0.8962
330 HBX 0.8961
331 GIF 0.8960
332 2IM 0.8959
333 1KA 0.8959
334 MPJ 0.8958
335 MRZ 0.8957
336 51F 0.8957
337 FPK 0.8955
338 LDU 0.8954
339 40O 0.8953
340 ZZT 0.8953
341 URO 0.8952
342 54D 0.8952
343 RIB 0.8951
344 0MK 0.8951
345 SEJ 0.8951
346 JZ7 0.8950
347 1PT 0.8949
348 FSG 0.8949
349 TMH 0.8948
350 H3M 0.8945
351 8GL 0.8945
352 1DU 0.8944
353 XYP 0.8944
354 285 0.8943
355 2PG 0.8941
356 XSP 0.8941
357 AC5 0.8941
358 TB6 0.8939
359 BSX 0.8938
360 GP9 0.8938
361 L3Q 0.8938
362 G2H 0.8938
363 RNT 0.8936
364 6CS 0.8934
365 ICC 0.8933
366 N8P 0.8932
367 GLY ALA 0.8930
368 DTU 0.8929
369 A3B 0.8926
370 CYH 0.8926
371 192 0.8925
372 ABE 0.8924
373 1AB 0.8923
374 280 0.8922
375 PEZ 0.8922
376 Z6J 0.8921
377 SEP 0.8921
378 4JU 0.8917
379 B24 0.8916
380 GAL 0.8915
381 ZGL 0.8915
382 DHS 0.8914
383 2TQ 0.8914
384 53C 0.8913
385 3PY 0.8913
386 TZC 0.8912
387 LLQ 0.8910
388 GLO 0.8910
389 7UC 0.8907
390 HE2 0.8907
391 G4D 0.8906
392 DGJ 0.8906
393 2AL 0.8906
394 M6W 0.8904
395 JZ9 0.8903
396 IFM 0.8903
397 34V 0.8901
398 R2B 0.8898
399 MAK 0.8898
400 ONH 0.8892
401 IMR 0.8892
402 MTL 0.8890
403 286 0.8889
404 HBU 0.8887
405 N7P 0.8886
406 DII 0.8885
407 M58 0.8884
408 JZ5 0.8883
409 DPJ 0.8882
410 0OC 0.8882
411 SKM 0.8882
412 FP1 0.8881
413 MLI 0.8880
414 IQ0 0.8879
415 ICN 0.8877
416 DAL DAL 0.8876
417 DZA 0.8876
418 EDG 0.8875
419 SMV 0.8874
420 HP6 0.8874
421 HAI 0.8874
422 C2N 0.8873
423 CHT 0.8871
424 DMG 0.8871
425 IF7 0.8871
426 IT2 0.8868
427 AHR 0.8865
428 HUI 0.8865
429 1MR 0.8864
430 PRS 0.8863
431 RUU 0.8863
432 PSE 0.8863
433 DHI 0.8861
434 PPV 0.8860
435 266 0.8859
436 XYS 0.8859
437 IVA 0.8858
438 60P 0.8856
439 P22 0.8854
440 3AL 0.8853
441 3SS 0.8848
442 3HR 0.8846
443 IFL 0.8845
444 2RA 0.8844
445 DCY 0.8844
446 AGK 0.8844
447 HG3 0.8844
448 DE2 0.8843
449 NBE 0.8842
450 PYC 0.8841
451 SAT 0.8840
452 TNE 0.8835
453 DS0 0.8835
454 GPJ 0.8834
455 SOL 0.8832
456 BE7 0.8831
457 ARB 0.8831
458 RP7 0.8831
459 YHO 0.8830
460 4DX 0.8830
461 1DQ 0.8829
462 FA1 0.8829
463 5HY 0.8828
464 C5J 0.8828
465 POP 0.8827
466 RAT 0.8827
467 MNM 0.8826
468 ABA 0.8825
469 9CL 0.8825
470 MPI 0.8823
471 BZF 0.8823
472 ODV 0.8822
473 AC0 0.8822
474 SME 0.8821
475 IDM 0.8821
476 GVH 0.8819
477 BAE 0.8818
478 RUJ 0.8817
479 3ZQ 0.8817
480 SNE 0.8816
481 PIS 0.8815
482 MSE 0.8815
483 OXZ 0.8810
484 PSJ 0.8810
485 ARA 0.8810
486 NMJ 0.8808
487 F05 0.8806
488 HIU 0.8806
489 0R1 0.8805
490 KQY 0.8802
491 DTT 0.8800
492 NFQ 0.8800
493 VNJ 0.8799
494 DEN 0.8799
495 HVQ 0.8798
496 IP8 0.8798
497 PTO 0.8797
498 BZI 0.8797
499 IND 0.8797
500 GPF 0.8796
501 7EX 0.8795
502 DMJ 0.8794
503 FCA 0.8794
504 K6H 0.8794
505 LTL 0.8793
506 RAM 0.8792
507 2CK 0.8790
508 41K 0.8790
509 LZ1 0.8790
510 03W 0.8787
511 SMB 0.8786
512 C5A 0.8785
513 3BU 0.8784
514 GBN 0.8783
515 3LR 0.8782
516 CDV 0.8778
517 MAN 0.8778
518 DYT 0.8776
519 MPH 0.8775
520 LFC 0.8771
521 GLY CYS 0.8771
522 CAQ 0.8768
523 0CT 0.8765
524 A8C 0.8764
525 AZF 0.8763
526 GYE 0.8762
527 KDF 0.8762
528 FOM 0.8759
529 V1L 0.8756
530 5HN 0.8754
531 H76 0.8754
532 J1Z 0.8751
533 DIG 0.8749
534 LXC 0.8748
535 SYM 0.8747
536 DPR 0.8744
537 GOO 0.8744
538 ARW 0.8744
539 6HQ 0.8744
540 L60 0.8743
541 BEW 0.8742
542 RCO 0.8739
543 P2D 0.8738
544 ASO 0.8736
545 AOS 0.8735
546 MLM 0.8731
547 32O 0.8729
548 SVJ 0.8729
549 HHA 0.8729
550 1WD 0.8726
551 LRH 0.8724
552 NOJ 0.8722
553 CYT 0.8721
554 270 0.8715
555 64K 0.8714
556 DLY 0.8714
557 KDG 0.8714
558 LG3 0.8713
559 BDR 0.8712
560 6LW 0.8712
561 AX7 0.8711
562 XXR 0.8708
563 3CH 0.8708
564 NCM 0.8707
565 G2F 0.8705
566 TIH 0.8704
567 SDD 0.8702
568 MCT 0.8698
569 2YU 0.8698
570 1AC 0.8698
571 6AI 0.8698
572 F60 0.8697
573 14O 0.8697
574 FRU 0.8696
575 I38 0.8693
576 9SE 0.8692
577 2PN 0.8691
578 VX 0.8691
579 4HO 0.8688
580 11S 0.8687
581 IPU 0.8686
582 LG5 0.8686
583 P92 0.8685
584 5MB 0.8683
585 PYF 0.8682
586 TRC 0.8681
587 5H1 0.8680
588 9EW 0.8680
589 JBN 0.8679
590 278 0.8678
591 2MI 0.8676
592 AAE 0.8676
593 YTB 0.8672
594 XBZ 0.8672
595 0RW 0.8670
596 ABV 0.8670
597 FUB 0.8669
598 BVF 0.8662
599 MMA 0.8656
600 NK2 0.8656
601 NTU 0.8653
602 MWM 0.8653
603 39J 0.8653
604 TDR 0.8652
605 6M9 0.8652
606 1XX 0.8652
607 PLQ 0.8651
608 CNL 0.8648
609 XPO 0.8642
610 TAU 0.8640
611 2XX 0.8640
612 5MI 0.8639
613 265 0.8639
614 911 0.8637
615 GAF 0.8636
616 GLC 0.8636
617 2K4 0.8636
618 FAC 0.8632
619 4ZE 0.8631
620 93B 0.8631
621 95Z 0.8628
622 ES9 0.8628
623 PPF 0.8623
624 G8M 0.8622
625 GLA 0.8621
626 8GF 0.8621
627 2EH 0.8616
628 9DA 0.8615
629 TH0 0.8608
630 PRI 0.8605
631 FPN 0.8605
632 EFS 0.8602
633 PY7 0.8600
634 X6X 0.8599
635 LCN 0.8599
636 9HX 0.8599
637 92Z 0.8596
638 5UC 0.8593
639 HQE 0.8593
640 FJO 0.8593
641 6MP 0.8593
642 TRA 0.8593
643 GXV 0.8588
644 ETM 0.8588
645 AN0 0.8588
646 BVG 0.8587
647 MZ0 0.8586
648 1MC 0.8585
649 10L 0.8572
650 BGC 0.8572
651 SVN 0.8571
652 47J 0.8570
653 FP2 0.8568
654 7WA 0.8564
655 IPM 0.8564
656 PCR 0.8561
657 ICP 0.8559
658 PYD 0.8559
659 LG4 0.8557
660 4H2 0.8556
661 LFR 0.8553
662 PM6 0.8550
663 CIG 0.8547
664 PXY 0.8517
665 GOJ 0.8511
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2Y91; Ligand: 98J; 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: 2y91.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2Y91; Ligand: 98J; 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: 2y91.bio2) has 3 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2Y91; Ligand: 98J; 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: 2y91.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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