Receptor
PDB id Resolution Class Description Source Keywords
3G2Z 1.5 Å EC: 3.5.2.6 CTX-M-9 CLASS A BETA-LACTAMASE COMPLEXED WITH COMPOUND 2 (GZ ESCHERICHIA COLI CTX-M BETA-LACTAMASE MOLECULAR DOCKING FRAGMENT INHIBITOANTIBIOTIC RESISTANCE HYDROLASE PLASMID HYDROLASE-HYDROLINHIBITOR COMPLEX
Ref.: MOLECULAR DOCKING AND LIGAND SPECIFICITY IN FRAGMEN INHIBITOR DISCOVERY NAT.CHEM.BIOL. V. 5 358 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DMS A:3;
A:6;
A:9;
B:4;
B:5;
B:7;
B:8;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
 submit data
78.133 C2 H6 O S CS(=O...
GZ2 A:1;
B:2;
 Valid;
Valid;
 none;
none;
 Ki = 4.4 mM
179.179 C7 H9 N5 O C1CC(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6BU3 1.15 Å EC: 3.5.2.6 CTX-M-27 BETA-LACTAMASE IN COMPLEX WITH A NON-COVALENT TETRA INHIBITOR ESCHERICHIA COLI TETRAZOLE INHIBITOR BETA-LACTAMASE ESBL HYDROLASE HYDROHYDROLASE INHIBITOR COMPLEX
Ref.: ANTIBACTERIAL SPECTRUM OF A TETRAZOLE-BASED REVERSI INHIBITOR OF SERINE BETA-LACTAMASES. ANTIMICROB. AGENTS V. 62 2018 CHEMOTHER.
Members (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 48 families.
1 6CYU - CE4 C14 H15 N5 O6 S2 CO/N=C(/c1....
2 5TWE - CAZ C17 H19 N5 O7 S2 CC(C)(C(=O....
3 4XXR - JSC C22 H17 N2 O6 Ru S CC1([C@@H]....
4 6MIA - 1CE C12 H12 N6 O S C1CCc2c(c3....
5 3G31 Ki = 1.3 mM GF1 C12 H15 N O4 C[C@@H](C(....
6 3G34 Ki = 1.1 mM 1CE C12 H12 N6 O S C1CCc2c(c3....
7 3HLW - CE3 C16 H17 N5 O7 S2 CC(=O)OCC1....
8 3G30 Ki = 3.1 mM G30 C11 H9 F2 N O3 c1cc(c(cc1....
9 6CYQ - CE4 C14 H15 N5 O6 S2 CO/N=C(/c1....
10 3HVF - PNK C16 H20 N2 O5 S CC1([C@@H]....
11 3G32 Ki = 0.194 mM 3G3 C11 H9 N5 O2 c1ccc2c(c1....
12 3G2Z Ki = 4.4 mM GZ2 C7 H9 N5 O C1CC(=CC(=....
13 6BU3 Ki = 0.28 uM 3GK C16 H10 F3 N7 O c1cc(cc(c1....
14 3G35 Ki = 0.021 mM F13 C14 H10 F N5 O c1cc(cc(c1....
70% Homology Family (15)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 41 families.
1 3BFF - FPM C12 H15 N O5 S C[C@H]([C@....
2 6CYU - CE4 C14 H15 N5 O6 S2 CO/N=C(/c1....
3 5TWE - CAZ C17 H19 N5 O7 S2 CC(C)(C(=O....
4 4XXR - JSC C22 H17 N2 O6 Ru S CC1([C@@H]....
5 6MIA - 1CE C12 H12 N6 O S C1CCc2c(c3....
6 3G31 Ki = 1.3 mM GF1 C12 H15 N O4 C[C@@H](C(....
7 3G34 Ki = 1.1 mM 1CE C12 H12 N6 O S C1CCc2c(c3....
8 3HLW - CE3 C16 H17 N5 O7 S2 CC(=O)OCC1....
9 3G30 Ki = 3.1 mM G30 C11 H9 F2 N O3 c1cc(c(cc1....
10 6CYQ - CE4 C14 H15 N5 O6 S2 CO/N=C(/c1....
11 3HVF - PNK C16 H20 N2 O5 S CC1([C@@H]....
12 3G32 Ki = 0.194 mM 3G3 C11 H9 N5 O2 c1ccc2c(c1....
13 3G2Z Ki = 4.4 mM GZ2 C7 H9 N5 O C1CC(=CC(=....
14 6BU3 Ki = 0.28 uM 3GK C16 H10 F3 N7 O c1cc(cc(c1....
15 3G35 Ki = 0.021 mM F13 C14 H10 F N5 O c1cc(cc(c1....
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: GZ2; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 GZ2 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: GZ2; Similar ligands found: 901
No: Ligand Similarity coefficient
1 TZM 0.9755
2 R20 0.9653
3 6TZ 0.9599
4 XCG 0.9593
5 6HO 0.9567
6 L22 0.9554
7 TMG 0.9533
8 MSR 0.9524
9 P80 0.9505
10 6FB 0.9502
11 BP7 0.9500
12 MUK 0.9491
13 XDK 0.9480
14 R2P 0.9479
15 54F 0.9468
16 XIZ 0.9463
17 QIV 0.9461
18 SNU 0.9446
19 C0H 0.9443
20 4V2 0.9440
21 4BY 0.9435
22 L5V 0.9435
23 CPZ 0.9433
24 GO2 0.9427
25 A5E 0.9427
26 PPY 0.9426
27 TCA 0.9425
28 MPK 0.9420
29 C82 0.9418
30 1VK 0.9416
31 3ZB 0.9415
32 HQJ 0.9413
33 363 0.9407
34 LSQ 0.9407
35 X48 0.9406
36 M5H 0.9406
37 ESX 0.9404
38 M6H 0.9400
39 7ZL 0.9392
40 BZE 0.9381
41 CH9 0.9377
42 LL1 0.9357
43 S0D 0.9354
44 HA5 0.9354
45 61M 0.9351
46 3VS 0.9351
47 ANC 0.9350
48 BNL 0.9349
49 ESI 0.9347
50 ZME 0.9343
51 KTW 0.9339
52 M1Z 0.9337
53 6QF 0.9334
54 HX4 0.9334
55 1BN 0.9323
56 2FX 0.9322
57 M3E 0.9322
58 FK8 0.9318
59 LVD 0.9318
60 6J9 0.9315
61 1A7 0.9312
62 2QC 0.9310
63 MXD 0.9307
64 36Y 0.9305
65 FF2 0.9305
66 UNJ 0.9302
67 BPY 0.9300
68 JCZ 0.9297
69 SOJ 0.9295
70 DHC 0.9292
71 4BL 0.9291
72 PO6 0.9289
73 FER 0.9289
74 YZM 0.9288
75 IWT 0.9283
76 HC4 0.9274
77 J6W 0.9273
78 BZ2 0.9272
79 GVY 0.9271
80 1L5 0.9269
81 DI6 0.9265
82 BGU 0.9264
83 SLS 0.9261
84 F4E 0.9261
85 11X 0.9260
86 EXD 0.9259
87 TOH 0.9257
88 P81 0.9256
89 Y3L 0.9254
90 X0U 0.9252
91 FZM 0.9252
92 5LA 0.9250
93 MMS 0.9250
94 4LW 0.9249
95 0JD 0.9248
96 AN3 0.9248
97 A29 0.9247
98 N9J 0.9247
99 1ZC 0.9245
100 3VW 0.9244
101 BZQ 0.9239
102 G14 0.9236
103 E3X 0.9234
104 AOT 0.9233
105 PIM 0.9232
106 R9G 0.9231
107 RKV 0.9231
108 9UL 0.9227
109 TYR 0.9226
110 0F9 0.9225
111 EWG 0.9223
112 2O6 0.9221
113 LJ4 0.9217
114 MPV 0.9215
115 DTY 0.9215
116 ESP 0.9213
117 PIY 0.9212
118 0BP 0.9211
119 A5H 0.9211
120 F4K 0.9211
121 ENO 0.9210
122 344 0.9208
123 GVG 0.9207
124 EYV 0.9205
125 DPN 0.9204
126 OA1 0.9198
127 KLS 0.9198
128 2PV 0.9197
129 FHC 0.9197
130 GNW 0.9197
131 E1T 0.9196
132 ONR 0.9196
133 7R4 0.9196
134 428 0.9196
135 0NX 0.9194
136 ALE 0.9193
137 DHY 0.9191
138 VXX 0.9188
139 8NB 0.9185
140 7O4 0.9185
141 VM1 0.9183
142 ZZA 0.9182
143 2HC 0.9181
144 RA7 0.9181
145 9CA 0.9180
146 5F5 0.9179
147 3VQ 0.9179
148 5F8 0.9178
149 6J5 0.9177
150 SAF 0.9176
151 LJ3 0.9175
152 CXH 0.9174
153 N91 0.9173
154 YIE 0.9169
155 3QO 0.9169
156 PHE 0.9166
157 HXY 0.9166
158 B4O 0.9163
159 HCI 0.9161
160 1Z6 0.9160
161 5JT 0.9159
162 M45 0.9158
163 SQV 0.9157
164 1IT 0.9157
165 M02 0.9155
166 AY4 0.9152
167 92G 0.9152
168 795 0.9152
169 HHS 0.9151
170 78Y 0.9151
171 1F1 0.9151
172 PRL 0.9150
173 C53 0.9149
174 GJK 0.9145
175 4XF 0.9144
176 MD6 0.9144
177 ICB 0.9142
178 3Y7 0.9141
179 15N 0.9141
180 P7Y 0.9141
181 9FL 0.9140
182 0SY 0.9140
183 5FL 0.9138
184 LQ2 0.9135
185 PFF 0.9134
186 8HC 0.9130
187 7VP 0.9130
188 N2Y 0.9130
189 AKG 0.9129
190 6FZ 0.9128
191 S60 0.9127
192 4HB 0.9122
193 2K8 0.9119
194 TZF 0.9118
195 DNF 0.9118
196 CLU 0.9116
197 ZRK 0.9116
198 J9N 0.9116
199 TSR 0.9115
200 0FK 0.9114
201 HNL 0.9112
202 HNK 0.9112
203 GF4 0.9108
204 OGA 0.9107
205 9FE 0.9107
206 2D2 0.9106
207 0W1 0.9105
208 LEL 0.9105
209 4I8 0.9105
210 SQ4 0.9103
211 JAH 0.9102
212 4LV 0.9101
213 XRS 0.9101
214 LNR 0.9100
215 S2G 0.9100
216 EQW 0.9098
217 0HN 0.9097
218 JG8 0.9095
219 XQI 0.9094
220 X11 0.9091
221 PJW 0.9090
222 KYN 0.9090
223 JP2 0.9089
224 V1T 0.9089
225 2PK 0.9087
226 TJM 0.9085
227 0LO 0.9084
228 0OL 0.9084
229 9ZE 0.9083
230 FQX 0.9083
231 ZEC 0.9083
232 IOS 0.9082
233 PRO GLY 0.9081
234 5NI 0.9081
235 V2Z 0.9080
236 D3G 0.9080
237 4WL 0.9080
238 S2P 0.9079
239 UN1 0.9079
240 3NY 0.9078
241 KMY 0.9076
242 6MW 0.9075
243 W29 0.9074
244 DAH 0.9073
245 HSX 0.9073
246 F06 0.9073
247 2ZM 0.9072
248 HJH 0.9071
249 CXP 0.9070
250 0FR 0.9069
251 EN1 0.9065
252 NFA 0.9065
253 9W5 0.9065
254 492 0.9064
255 TYL 0.9064
256 2HG 0.9061
257 A5P 0.9059
258 XI7 0.9058
259 K7H 0.9058
260 0HO 0.9054
261 EVF 0.9054
262 HRM 0.9053
263 68A 0.9053
264 3VX 0.9052
265 HFA 0.9051
266 BNF 0.9051
267 TT4 0.9050
268 4NB 0.9049
269 6NT 0.9049
270 6NI 0.9049
271 ZYQ 0.9049
272 H4E 0.9049
273 14W 0.9045
274 AMR 0.9042
275 S0F 0.9038
276 M5E 0.9038
277 5E5 0.9038
278 HIC 0.9037
279 SWX 0.9037
280 AHN 0.9036
281 C1M 0.9035
282 AAN 0.9033
283 RUY 0.9033
284 92P 0.9032
285 MJ5 0.9032
286 AX3 0.9031
287 TRP 0.9031
288 ARG 0.9030
289 SNO 0.9029
290 3D8 0.9029
291 D2G 0.9028
292 N8Y 0.9028
293 52C 0.9028
294 CIY 0.9027
295 N7I 0.9025
296 GO8 0.9025
297 AVA 0.9025
298 HIS 0.9024
299 PBA 0.9024
300 FDR 0.9023
301 11C 0.9022
302 7MW 0.9022
303 4FP 0.9021
304 J9Q 0.9020
305 2HU 0.9020
306 XRX 0.9019
307 C2Y 0.9017
308 3A9 0.9016
309 N3W 0.9015
310 50C 0.9015
311 RNO 0.9014
312 5B2 0.9014
313 36E 0.9013
314 4FF 0.9012
315 97T 0.9012
316 OOG 0.9011
317 KTJ 0.9010
318 TYE 0.9010
319 60L 0.9009
320 JAW 0.9008
321 3C4 0.9008
322 NCT 0.9007
323 HNH 0.9007
324 JBZ 0.9006
325 N1E 0.9004
326 ZHA 0.9001
327 LZ5 0.8998
328 YTX 0.8995
329 DTR 0.8991
330 3QV 0.8990
331 PH3 0.8990
332 SHI 0.8990
333 8NX 0.8990
334 6KT 0.8989
335 463 0.8986
336 GLN 0.8986
337 4FE 0.8984
338 5OO 0.8984
339 HNT 0.8981
340 1PS 0.8981
341 ABI 0.8981
342 9R5 0.8980
343 JDN 0.8978
344 TIH 0.8978
345 5LD 0.8977
346 K97 0.8977
347 TYC 0.8976
348 MIL 0.8976
349 FPL 0.8975
350 OQC 0.8974
351 IAC 0.8972
352 SOV 0.8971
353 22L 0.8970
354 TB8 0.8969
355 LL2 0.8969
356 SG2 0.8968
357 TU0 0.8966
358 ZSP 0.8966
359 5TZ 0.8964
360 7I2 0.8964
361 833 0.8963
362 SKF 0.8963
363 3IP 0.8963
364 F31 0.8962
365 FCD 0.8961
366 BZJ 0.8958
367 PQT 0.8957
368 I2E 0.8955
369 HNM 0.8954
370 LDP 0.8953
371 8XL 0.8950
372 I3E 0.8950
373 8G6 0.8947
374 D8Q 0.8945
375 848 0.8943
376 SRO 0.8942
377 URO 0.8942
378 P93 0.8939
379 45L 0.8938
380 FWD 0.8938
381 HL4 0.8937
382 RLG 0.8935
383 ITE 0.8935
384 YOF 0.8934
385 N2M 0.8933
386 MAJ 0.8933
387 MOK 0.8933
388 PLP 0.8933
389 2LT 0.8932
390 M4E 0.8932
391 6Q3 0.8932
392 ODK 0.8931
393 ZYR 0.8930
394 M6Z 0.8930
395 JZA 0.8930
396 2JX 0.8929
397 5TY 0.8928
398 ABF 0.8928
399 GLU 0.8928
400 E7S 0.8928
401 M78 0.8928
402 S7D 0.8927
403 IHB 0.8925
404 S7A 0.8925
405 BQ5 0.8924
406 S8D 0.8924
407 HF2 0.8923
408 M3H 0.8923
409 3J8 0.8922
410 5GT 0.8921
411 JRB 0.8920
412 4BF 0.8919
413 SSC 0.8918
414 A51 0.8918
415 6L6 0.8917
416 8U3 0.8917
417 PUE 0.8917
418 DXK 0.8916
419 8ZE 0.8914
420 IOP 0.8914
421 H4B 0.8914
422 CHB 0.8913
423 ERZ 0.8913
424 7MX 0.8912
425 AMQ 0.8908
426 8D6 0.8907
427 5AD 0.8907
428 PEY 0.8906
429 KDG 0.8904
430 0A9 0.8903
431 6ZX 0.8900
432 CS2 0.8900
433 4ZA 0.8900
434 ZON 0.8899
435 3XH 0.8896
436 WUB 0.8895
437 QME 0.8895
438 ANN 0.8895
439 RP5 0.8895
440 PD2 0.8894
441 3R4 0.8894
442 L03 0.8893
443 K80 0.8893
444 JF2 0.8893
445 FC2 0.8893
446 CK2 0.8892
447 KWB 0.8888
448 TIA 0.8888
449 6C5 0.8887
450 4ZD 0.8886
451 4TB 0.8885
452 VNL 0.8885
453 56D 0.8884
454 4JQ 0.8884
455 PRZ 0.8884
456 DRG 0.8883
457 HPP 0.8883
458 JB8 0.8882
459 GNM 0.8881
460 28A 0.8881
461 3C5 0.8881
462 12T 0.8881
463 4YO 0.8881
464 DGN 0.8880
465 BRH 0.8879
466 AZM 0.8878
467 54X 0.8877
468 0OO 0.8876
469 2WU 0.8876
470 HHI 0.8875
471 DHB 0.8875
472 ZYV 0.8875
473 6C8 0.8874
474 BQ2 0.8873
475 5WN 0.8873
476 7Q1 0.8871
477 PHI 0.8871
478 N2Z 0.8869
479 XYH 0.8869
480 UKV 0.8868
481 C4E 0.8867
482 RP3 0.8867
483 M6P 0.8866
484 8WO 0.8866
485 PLR 0.8865
486 Z70 0.8865
487 ANF 0.8864
488 3YP 0.8864
489 977 0.8864
490 NPA 0.8863
491 2LY 0.8862
492 THA 0.8862
493 IL5 0.8859
494 C9E 0.8859
495 HBO 0.8858
496 15E 0.8858
497 A7Q 0.8857
498 ENV 0.8856
499 LO1 0.8856
500 S0W 0.8855
501 GGB 0.8855
502 7OD 0.8855
503 27B 0.8854
504 PAC 0.8853
505 DDU 0.8852
506 IQQ 0.8852
507 1QP 0.8850
508 PH2 0.8849
509 R9J 0.8849
510 S8G 0.8848
511 TZP 0.8847
512 BTM 0.8847
513 IYR 0.8847
514 FMQ 0.8846
515 L99 0.8846
516 0OY 0.8845
517 G6P 0.8844
518 AVX 0.8844
519 C0W 0.8843
520 8WT 0.8843
521 ENW 0.8843
522 4RU 0.8840
523 JLZ 0.8839
524 INO 0.8838
525 GJP 0.8837
526 1HN 0.8837
527 F2W 0.8836
528 4A3 0.8836
529 S0E 0.8836
530 2BG 0.8835
531 AJY 0.8834
532 QUS 0.8834
533 M83 0.8834
534 4GU 0.8832
535 XIY 0.8830
536 AUV 0.8829
537 4P5 0.8829
538 FHB 0.8828
539 NNO 0.8828
540 EQA 0.8828
541 JGB 0.8827
542 U7E 0.8827
543 2GQ 0.8827
544 5P3 0.8827
545 PBN 0.8826
546 JF6 0.8826
547 NIY 0.8825
548 DHI 0.8823
549 LTN 0.8822
550 3IL 0.8822
551 2HO 0.8821
552 N2I 0.8821
553 S98 0.8821
554 Q06 0.8821
555 MNP 0.8820
556 6DP 0.8820
557 JR2 0.8820
558 30G 0.8820
559 6RQ 0.8820
560 NFZ 0.8820
561 68B 0.8818
562 6FG 0.8818
563 2F6 0.8818
564 EYJ 0.8818
565 1X4 0.8817
566 M3P 0.8817
567 KDV 0.8816
568 YE6 0.8814
569 069 0.8814
570 HWD 0.8813
571 2IT 0.8811
572 APS 0.8811
573 173 0.8809
574 JF1 0.8808
575 X6P 0.8807
576 BGP 0.8805
577 TWO 0.8805
578 CK1 0.8804
579 WS7 0.8803
580 7UZ 0.8803
581 55D 0.8801
582 R9Y 0.8801
583 1WC 0.8800
584 TCC 0.8800
585 D6G 0.8800
586 TLM 0.8799
587 DAR 0.8799
588 HHH 0.8797
589 MQN 0.8796
590 SV4 0.8795
591 DUR 0.8795
592 268 0.8794
593 AA 0.8793
594 36M 0.8792
595 CC5 0.8790
596 QMS 0.8789
597 PHU 0.8788
598 QSB 0.8788
599 ZEA 0.8788
600 5XB 0.8786
601 3H2 0.8784
602 5VU 0.8783
603 K7M 0.8782
604 4AU 0.8782
605 4TP 0.8780
606 536 0.8780
607 TSS 0.8780
608 DEW 0.8780
609 DGL 0.8780
610 3PF 0.8780
611 B21 0.8779
612 TGX 0.8779
613 DE5 0.8776
614 1M2 0.8776
615 WOE 0.8776
616 VBC 0.8775
617 S1D 0.8775
618 J9T 0.8775
619 JSX 0.8774
620 BG6 0.8772
621 P9P 0.8772
622 MYJ 0.8771
623 4BX 0.8769
624 4Z9 0.8768
625 D48 0.8767
626 9PL 0.8767
627 HLP 0.8767
628 5GV 0.8766
629 9TW 0.8766
630 CNI 0.8765
631 WVV 0.8765
632 BEA 0.8763
633 4FH 0.8763
634 MP5 0.8762
635 C9M 0.8762
636 X0V 0.8761
637 H7Y 0.8760
638 NVU 0.8760
639 J5I 0.8759
640 TCR 0.8759
641 PRA 0.8758
642 ICO 0.8758
643 B1J 0.8757
644 96Z 0.8757
645 ATX 0.8755
646 MES 0.8754
647 SB7 0.8753
648 DIR 0.8753
649 B2T 0.8753
650 AVO 0.8753
651 6C4 0.8752
652 93K 0.8751
653 2P3 0.8751
654 42J 0.8751
655 4NC 0.8748
656 L5D 0.8747
657 HDH 0.8745
658 PDC 0.8745
659 P4L 0.8745
660 A9O 0.8744
661 CFI 0.8742
662 A7H 0.8742
663 DER 0.8742
664 Q4G 0.8741
665 X0W 0.8740
666 B40 0.8740
667 5V7 0.8739
668 NYL 0.8737
669 THM 0.8736
670 A6W 0.8736
671 M4T 0.8735
672 KYA 0.8734
673 M2K 0.8734
674 5QY 0.8734
675 9FH 0.8732
676 HPT 0.8732
677 JMG 0.8732
678 5TO 0.8732
679 CFA 0.8732
680 46P 0.8731
681 E9S 0.8731
682 T2D 0.8730
683 PIQ 0.8730
684 BSA 0.8729
685 D1G 0.8728
686 II4 0.8728
687 CMU 0.8727
688 F40 0.8725
689 API 0.8723
690 KTA 0.8723
691 BIK 0.8723
692 B85 0.8723
693 QR2 0.8723
694 39O 0.8722
695 2JK 0.8722
696 94W 0.8721
697 4Z1 0.8721
698 FBF 0.8720
699 OMD 0.8720
700 49P 0.8720
701 GCO 0.8718
702 5RO 0.8717
703 GHM 0.8717
704 KUF 0.8716
705 4SX 0.8715
706 DLT 0.8713
707 GZV 0.8713
708 LGT 0.8712
709 RK4 0.8712
710 6C9 0.8710
711 GDE 0.8710
712 SYE 0.8710
713 9B3 0.8709
714 7WR 0.8708
715 0ON 0.8707
716 STT 0.8707
717 3HM 0.8706
718 SKM 0.8706
719 DEZ 0.8705
720 PPT 0.8703
721 22F 0.8702
722 1A5 0.8702
723 CIR 0.8702
724 GAE 0.8701
725 0TU 0.8700
726 ARP 0.8700
727 FTV 0.8700
728 IAR 0.8699
729 F52 0.8699
730 JND 0.8699
731 OX2 0.8698
732 GWM 0.8697
733 9BF 0.8697
734 QBS 0.8696
735 657 0.8695
736 PCS 0.8694
737 2JJ 0.8693
738 L14 0.8692
739 7MU 0.8692
740 F16 0.8691
741 KLE 0.8690
742 AVI 0.8688
743 258 0.8686
744 GRF 0.8685
745 1AJ 0.8683
746 6XI 0.8683
747 MR6 0.8683
748 8W9 0.8682
749 CSN 0.8681
750 XFE 0.8681
751 2B4 0.8680
752 3QM 0.8680
753 0DN 0.8679
754 O2Y 0.8676
755 3DT 0.8675
756 NNH 0.8674
757 5RP 0.8674
758 F18 0.8674
759 CTE 0.8671
760 AHL 0.8669
761 A3M 0.8669
762 2UZ 0.8669
763 1XA 0.8669
764 NIZ 0.8668
765 PJL 0.8668
766 4R1 0.8668
767 JF8 0.8667
768 BB4 0.8666
769 P9E 0.8665
770 EV0 0.8665
771 FUD 0.8664
772 ZIQ 0.8662
773 DPT 0.8662
774 BIO 0.8662
775 TQU 0.8662
776 EUE 0.8661
777 A1Y 0.8659
778 PAU 0.8658
779 HA6 0.8658
780 5SP 0.8657
781 5H6 0.8655
782 8OZ 0.8655
783 1XS 0.8655
784 CWJ 0.8653
785 HG3 0.8653
786 B41 0.8652
787 KNA 0.8652
788 2FQ 0.8652
789 LDC 0.8652
790 A9P 0.8648
791 DNQ 0.8646
792 4G2 0.8645
793 LFQ 0.8645
794 U13 0.8645
795 BBY 0.8644
796 4ME 0.8641
797 T03 0.8641
798 IFP 0.8641
799 AEH 0.8640
800 RD4 0.8639
801 HBI 0.8639
802 EE8 0.8639
803 EXR 0.8638
804 6ZW 0.8635
805 5XC 0.8635
806 4TU 0.8633
807 Z5P 0.8632
808 JFJ 0.8632
809 8UY 0.8632
810 CHQ 0.8632
811 ID2 0.8631
812 CKA 0.8630
813 SZ7 0.8628
814 HPS 0.8626
815 B86 0.8626
816 K34 0.8625
817 HHR 0.8624
818 BHU 0.8623
819 FHV 0.8621
820 ISZ 0.8621
821 M6D 0.8620
822 1X8 0.8619
823 67Y 0.8619
824 H7S 0.8619
825 5C1 0.8618
826 DHM 0.8616
827 SEP 0.8614
828 TA6 0.8612
829 3TC 0.8612
830 Q02 0.8611
831 H2B 0.8610
832 1FL 0.8609
833 K48 0.8609
834 IPO 0.8609
835 BPU 0.8608
836 26P 0.8608
837 6R8 0.8608
838 UFO 0.8607
839 ZZU 0.8607
840 BVS 0.8605
841 0XT 0.8603
842 H5B 0.8603
843 MCY 0.8602
844 F69 0.8602
845 SOR 0.8601
846 CR1 0.8601
847 DXP 0.8600
848 DZA 0.8599
849 NK5 0.8598
850 GXD 0.8598
851 505 0.8598
852 DX5 0.8596
853 LTT 0.8596
854 3HG 0.8595
855 Q04 0.8595
856 RSV 0.8595
857 2CZ 0.8594
858 0DF 0.8591
859 4KL 0.8591
860 ONH 0.8590
861 8WZ 0.8590
862 AC2 0.8590
863 BZ3 0.8588
864 GLO 0.8588
865 X6W 0.8585
866 XIF XYP 0.8582
867 EYY 0.8580
868 H70 0.8577
869 FBB 0.8574
870 GLP 0.8574
871 4AV 0.8572
872 NBG 0.8569
873 UFV 0.8569
874 BHO 0.8569
875 XOG 0.8567
876 5BT 0.8566
877 F1X 0.8566
878 7L4 0.8564
879 HHV 0.8563
880 DNC 0.8563
881 JGY 0.8562
882 DE3 0.8560
883 NFM 0.8559
884 F6P 0.8556
885 4F8 0.8556
886 KJU 0.8555
887 1KP 0.8555
888 MJW 0.8553
889 OTR 0.8551
890 56N 0.8548
891 AX4 0.8548
892 6HP 0.8545
893 878 0.8543
894 QMP 0.8543
895 1FE 0.8540
896 JTA 0.8536
897 THU 0.8535
898 49O 0.8522
899 AH9 0.8521
900 6PB 0.8520
901 3MB 0.8511
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6BU3; Ligand: 3GK; 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: 6bu3.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6BU3; Ligand: 3GK; 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: 6bu3.bio2) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 6BU3; Ligand: 3GK; 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: 6bu3.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 6BU3; Ligand: 3GK; 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: 6bu3.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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