Receptor
PDB id Resolution Class Description Source Keywords
5U0V 1.7 Å EC: 2.5.1.15 E. COLI DIHYDROPTEROATE SYNTHASE COMPLEXED WITH 6-METHYLAMIN NITROSOISOCYTOSINE ESCHERICHIA COLI O6:H1 (STRAIN CFT073 700928 / UPEC) E. COLI DHPS COMPLEX PTERIN SITE TRANSFERASE-TRANSFERASEINHIBITOR COMPLEX
Ref.: 8-MERCAPTOGUANINE DERIVATIVES AS INHIBITORS OF DIHYDROPTEROATE SYNTHASE. CHEMISTRY V. 24 1922 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACY B:301;
Invalid;
none;
submit data
60.052 C2 H4 O2 CC(=O...
NA B:303;
A:302;
Part of Protein;
Part of Protein;
none;
none;
submit data
22.99 Na [Na+]
7VJ A:301;
B:302;
Valid;
Valid;
none;
none;
submit data
169.141 C5 H7 N5 O2 CNC1=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1AJ0 2 Å EC: 2.5.1.15 CRYSTAL STRUCTURE OF A TERNARY COMPLEX OF E. COLI DIHYDROPTE SYNTHASE ESCHERICHIA COLI ANTIBIOTIC RESISTANCE TRANSFERASE FOLATE BIOSYNTHESIS S
Ref.: CRYSTAL STRUCTURE OF THE ANTI-BACTERIAL SULFONAMIDE TARGET DIHYDROPTEROATE SYNTHASE. NAT.STRUCT.BIOL. V. 4 490 1997
Members (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 1AJ0 - SAN C6 H8 N2 O2 S c1cc(ccc1N....
2 5U10 - PT1 C14 H12 N6 O3 c1cc(ccc1C....
3 5U0W - 9MG C6 H7 N5 O Cn1cnc2c1n....
4 5U0V - 7VJ C5 H7 N5 O2 CNC1=C(C(=....
5 5U14 - 7PV C13 H14 N6 O3 S2 c1cc(ccc1C....
6 5U0Z - 7PM C13 H11 N5 O3 S c1ccc(cc1)....
7 5V7A - 8Y7 C8 H9 N5 O3 S Cn1c2c(nc1....
8 5U0Y - 7PJ C7 H7 N5 O3 S C(C(=O)O)S....
9 5V79 - 8Y4 C14 H14 N6 O2 S Cn1c2c(nc1....
10 5U13 - YH5 C14 H13 N5 O3 S COc1ccc(cc....
11 5U11 - 7PS C8 H10 N6 O2 S CNC(=O)CSc....
12 5U12 - 5RU C12 H10 F N5 O S c1ccc(c(c1....
13 1AJ2 - 2PH C7 H11 N5 O8 P2 C1C(=NC2=C....
70% Homology Family (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 1AJ0 - SAN C6 H8 N2 O2 S c1cc(ccc1N....
2 5U10 - PT1 C14 H12 N6 O3 c1cc(ccc1C....
3 5U0W - 9MG C6 H7 N5 O Cn1cnc2c1n....
4 5U0V - 7VJ C5 H7 N5 O2 CNC1=C(C(=....
5 5U14 - 7PV C13 H14 N6 O3 S2 c1cc(ccc1C....
6 5U0Z - 7PM C13 H11 N5 O3 S c1ccc(cc1)....
7 5V7A - 8Y7 C8 H9 N5 O3 S Cn1c2c(nc1....
8 5U0Y - 7PJ C7 H7 N5 O3 S C(C(=O)O)S....
9 5V79 - 8Y4 C14 H14 N6 O2 S Cn1c2c(nc1....
10 5U13 - YH5 C14 H13 N5 O3 S COc1ccc(cc....
11 5U11 - 7PS C8 H10 N6 O2 S CNC(=O)CSc....
12 5U12 - 5RU C12 H10 F N5 O S c1ccc(c(c1....
13 1AJ2 - 2PH C7 H11 N5 O8 P2 C1C(=NC2=C....
14 3TYZ - PAB C7 H7 N O2 c1cc(ccc1C....
15 3TZF - HH2 C7 H9 N5 O8 P2 c1c(nc2c(n....
16 5JQ9 - 6MB C18 H18 N8 O4 S Cc1c(noc1N....
50% Homology Family (46)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1AJ0 - SAN C6 H8 N2 O2 S c1cc(ccc1N....
2 5U10 - PT1 C14 H12 N6 O3 c1cc(ccc1C....
3 5U0W - 9MG C6 H7 N5 O Cn1cnc2c1n....
4 5U0V - 7VJ C5 H7 N5 O2 CNC1=C(C(=....
5 5U14 - 7PV C13 H14 N6 O3 S2 c1cc(ccc1C....
6 5U0Z - 7PM C13 H11 N5 O3 S c1ccc(cc1)....
7 5V7A - 8Y7 C8 H9 N5 O3 S Cn1c2c(nc1....
8 5U0Y - 7PJ C7 H7 N5 O3 S C(C(=O)O)S....
9 5V79 - 8Y4 C14 H14 N6 O2 S Cn1c2c(nc1....
10 5U13 - YH5 C14 H13 N5 O3 S COc1ccc(cc....
11 5U11 - 7PS C8 H10 N6 O2 S CNC(=O)CSc....
12 5U12 - 5RU C12 H10 F N5 O S c1ccc(c(c1....
13 1AJ2 - 2PH C7 H11 N5 O8 P2 C1C(=NC2=C....
14 4D8Z Kd = 0.51 uM 0J2 C10 H11 N5 O4 C[C@H](CC(....
15 4DB7 Kd = 0.273 uM Z25 C9 H9 N5 O4 C(CC(=O)O)....
16 4D8A - 0HY C11 H13 N5 O4 C[C@H](CC(....
17 4DAF Kd = 0.076 uM 0J4 C9 H9 N5 O4 C[C@H](C1=....
18 3H22 ic50 = 8 uM B53 C4 H5 N5 O2 C1(=C(N=C(....
19 4NIL - 2O8 C8 H6 F3 N O S c1cc(ccc1C....
20 1TX2 - 680 C5 H7 N5 O3 CNC1=C(C(=....
21 1TWW - HH2 C7 H9 N5 O8 P2 c1c(nc2c(n....
22 3TYE - XHP C7 H7 N5 O C=C1CN=C2C....
23 3H2M ic50 = 215 uM B61 C11 H17 N5 O2 CC(C)(CC1=....
24 3H24 - B55 C5 H5 N5 O S c12c([nH]c....
25 3TYC - XHP C7 H7 N5 O C=C1CN=C2C....
26 3H2F ic50 = 86.7 uM B60 C7 H9 N5 O CN1CC=NC2=....
27 1TX0 - PT1 C14 H12 N6 O3 c1cc(ccc1C....
28 3H21 ic50 = 19.8 uM B52 C10 H11 N5 O4 C[C@H](C1=....
29 4D9P ic50 = 145 uM Z17 C11 H13 N5 O4 C[C@H](CC(....
30 3H26 ic50 = 32.4 uM B56 C8 H9 N5 O3 CN1CC(=NC2....
31 3TYD - XHP C7 H7 N5 O C=C1CN=C2C....
32 4DAI Kd = 110 nM 0J5 C8 H7 N5 O4 C(C1=NNC2=....
33 4NHV - 2O6 C8 H5 F3 N2 O c1cc2c(cc1....
34 3H2N ic50 = 212.6 uM B62 C7 H11 N5 O C[C@@H]1CN....
35 4NL1 - Z13 C16 H11 F6 N c1cc(ccc1C....
36 3H23 ic50 = 19.3 uM B54 C14 H15 N5 O5 c1cc(ccc1C....
37 3H2A ic50 = 108.9 uM B57 C4 H5 N5 O3 C1(=C(N=C(....
38 4NIR - 6DH C11 H11 F3 N2 O c1cc2c(cc1....
39 1EYE - PMM C7 H8 N5 O5 P c1c(nc2c(n....
40 1AD4 - HH2 C7 H9 N5 O8 P2 c1c(nc2c(n....
41 6CLV - 6MB C18 H18 N8 O4 S Cc1c(noc1N....
42 2VEG - PMM C7 H8 N5 O5 P c1c(nc2c(n....
43 3TYZ - PAB C7 H7 N O2 c1cc(ccc1C....
44 3TZF - HH2 C7 H9 N5 O8 P2 c1c(nc2c(n....
45 5JQ9 - 6MB C18 H18 N8 O4 S Cc1c(noc1N....
46 2Y5S - 78H C14 H14 N6 O3 c1cc(ccc1C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 7VJ; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 7VJ 1 1
2 B53 0.487805 0.961538
3 680 0.458333 0.881356
Similar Ligands (3D)
Ligand no: 1; Ligand: 7VJ; Similar ligands found: 879
No: Ligand Similarity coefficient
1 BGC 0.9707
2 NDM 0.9683
3 B60 0.9656
4 MAQ 0.9637
5 9MG 0.9620
6 G3F 0.9602
7 GCS 0.9590
8 ZWZ 0.9574
9 GLC 0.9565
10 G6D 0.9548
11 25W 0.9534
12 B57 0.9533
13 BMA 0.9523
14 3DO 0.9521
15 F0J 0.9516
16 ZVO 0.9513
17 UNC 0.9489
18 FOT 0.9480
19 PXL 0.9469
20 T6C 0.9464
21 KBG 0.9463
22 XXR 0.9462
23 IJZ 0.9457
24 LGC 0.9454
25 8S0 0.9452
26 KJY 0.9451
27 7MH 0.9448
28 V55 0.9444
29 5WX 0.9440
30 GAL 0.9429
31 6LW 0.9422
32 HJP 0.9415
33 GOX 0.9414
34 JFD 0.9413
35 MBG 0.9413
36 JIF 0.9406
37 4HM 0.9403
38 PXM 0.9402
39 8CM 0.9397
40 0P6 0.9396
41 FUL 0.9389
42 4M4 0.9389
43 EUG 0.9389
44 FDB 0.9385
45 DPZ 0.9381
46 DHQ 0.9374
47 GUN 0.9373
48 EJZ 0.9372
49 VOH 0.9370
50 SHG 0.9369
51 MAN 0.9369
52 3RK 0.9360
53 C2U 0.9357
54 CWS 0.9356
55 2ZV 0.9356
56 32X 0.9356
57 XAN 0.9355
58 RM4 0.9353
59 7VS 0.9352
60 JBQ 0.9350
61 3Z7 0.9350
62 KIA 0.9345
63 KIB 0.9345
64 ALL 0.9344
65 UAN 0.9344
66 GIO 0.9342
67 ADK 0.9340
68 9DG 0.9340
69 PE0 0.9337
70 MO8 0.9336
71 6F0 0.9334
72 HH5 0.9334
73 HTP 0.9333
74 M1A 0.9333
75 XYP 0.9333
76 HZQ 0.9331
77 RNS 0.9331
78 YSO 0.9330
79 ISE 0.9330
80 HLZ 0.9329
81 TEP 0.9327
82 DRL 0.9325
83 Q24 0.9324
84 F5B 0.9323
85 BDP 0.9319
86 KUF 0.9319
87 GRE 0.9318
88 M0W 0.9316
89 67N 0.9316
90 AZA 0.9314
91 2MN 0.9313
92 DBJ 0.9311
93 M0Q 0.9309
94 MFU 0.9309
95 NTZ 0.9308
96 MFB 0.9308
97 GXY 0.9307
98 M1Q 0.9305
99 PA1 0.9304
100 YIO 0.9304
101 MEW 0.9304
102 PYQ 0.9301
103 3WA 0.9298
104 INS 0.9293
105 GIM 0.9293
106 KT7 0.9287
107 HH8 0.9287
108 AZ8 0.9286
109 NOJ 0.9283
110 GCW 0.9282
111 AQO 0.9281
112 2D0 0.9279
113 LXC 0.9275
114 J9W 0.9273
115 VNL 0.9273
116 4HC 0.9271
117 2FG 0.9271
118 JUG 0.9270
119 ADZ 0.9270
120 6M1 0.9270
121 MT0 0.9269
122 1XN 0.9269
123 FCB 0.9269
124 4XH 0.9268
125 EXO 0.9264
126 G1O 0.9264
127 MIG 0.9264
128 M5K 0.9263
129 3MA 0.9260
130 MUA 0.9259
131 5Q0 0.9257
132 VK3 0.9256
133 290 0.9254
134 LFR 0.9253
135 23A 0.9250
136 AJV 0.9249
137 WOO 0.9247
138 ES1 0.9246
139 LCN 0.9246
140 PFB 0.9245
141 3MG 0.9243
142 M1H 0.9242
143 HMU 0.9241
144 FYU 0.9240
145 39A 0.9238
146 IGA 0.9237
147 GTL 0.9237
148 TOF 0.9237
149 24B 0.9236
150 TBP 0.9235
151 GLA 0.9233
152 1LQ 0.9233
153 DX4 0.9233
154 EQT 0.9233
155 AEZ 0.9230
156 UEG 0.9230
157 HQY 0.9230
158 NQ 0.9229
159 CFP 0.9228
160 GTZ 0.9227
161 AJ2 0.9225
162 GOG 0.9224
163 0CU 0.9224
164 5M0 0.9223
165 M6N 0.9222
166 1DW 0.9222
167 6GU 0.9221
168 5IQ 0.9221
169 FRU 0.9221
170 FUF 0.9220
171 141 0.9219
172 PRF 0.9219
173 AHR 0.9217
174 BTE 0.9216
175 MVL 0.9215
176 A2F 0.9214
177 1SQ 0.9214
178 UQ 0.9211
179 3DM 0.9208
180 495 0.9208
181 3Z8 0.9207
182 JPZ 0.9207
183 URC 0.9207
184 5SG 0.9206
185 XHP 0.9205
186 FUC 0.9204
187 B62 0.9201
188 5RG 0.9201
189 ES4 0.9200
190 DQN 0.9199
191 MMA 0.9199
192 6AP 0.9198
193 2H5 0.9198
194 7B4 0.9196
195 149 0.9195
196 OXZ 0.9194
197 G2F 0.9193
198 URF 0.9192
199 Q88 0.9191
200 4YS 0.9191
201 54G 0.9190
202 12M 0.9189
203 N5J 0.9189
204 1GN 0.9187
205 0W8 0.9187
206 6CS 0.9187
207 RXA 0.9186
208 94B 0.9185
209 DIG 0.9185
210 BCP 0.9185
211 SRO 0.9185
212 15L 0.9183
213 NOY 0.9181
214 1WG 0.9180
215 12B 0.9180
216 ASO 0.9180
217 ES0 0.9179
218 HMH 0.9179
219 35C 0.9179
220 NSP 0.9177
221 AZG 0.9177
222 GTQ 0.9175
223 86J 0.9175
224 3M0 0.9174
225 TH7 0.9174
226 BEA 0.9173
227 1XM 0.9173
228 YH7 0.9173
229 CWM 0.9173
230 ADE 0.9171
231 IFM 0.9170
232 1NP 0.9170
233 AH8 0.9166
234 209 0.9164
235 10L 0.9164
236 Q7A 0.9162
237 8H8 0.9161
238 FSW 0.9160
239 3HA 0.9160
240 ZZT 0.9160
241 PM6 0.9159
242 BTY 0.9158
243 I1N 0.9157
244 43M 0.9157
245 37T 0.9155
246 3F0 0.9155
247 DBH 0.9155
248 GCU 0.9154
249 260 0.9153
250 7WA 0.9153
251 5MK 0.9153
252 DIU 0.9152
253 7W4 0.9152
254 FE DB1 0.9150
255 HPA 0.9149
256 2MP 0.9148
257 BP1 0.9146
258 H33 0.9145
259 9DA 0.9145
260 44W 0.9145
261 CTS 0.9145
262 HXX 0.9144
263 QBK 0.9144
264 34A 0.9144
265 PQ0 0.9143
266 45C 0.9142
267 2CQ 0.9142
268 DOB 0.9142
269 PYD 0.9139
270 44V 0.9138
271 GIV 0.9135
272 OTW 0.9135
273 JBH 0.9135
274 TDR 0.9135
275 948 0.9134
276 24W 0.9133
277 IFL 0.9133
278 D07 0.9132
279 I3A 0.9132
280 6MP 0.9131
281 7HP 0.9130
282 ICP 0.9130
283 18N 0.9130
284 G5V 0.9130
285 2EC 0.9129
286 AMG 0.9129
287 SVN 0.9129
288 MWM 0.9127
289 XBZ 0.9126
290 4ZE 0.9124
291 KKN 0.9124
292 150 0.9123
293 1P7 0.9123
294 1MC 0.9123
295 275 0.9123
296 9TZ 0.9122
297 GYE 0.9121
298 F05 0.9121
299 TFU 0.9120
300 WBU 0.9120
301 MWP 0.9120
302 BOA 0.9119
303 7HQ 0.9119
304 7WR 0.9117
305 BBF 0.9117
306 FHN 0.9116
307 LRH 0.9116
308 DQU 0.9114
309 QAS 0.9114
310 TBS 0.9113
311 5QX 0.9112
312 HFB 0.9112
313 3XX 0.9111
314 XYD 0.9111
315 4JO 0.9110
316 A1U 0.9109
317 LKA 0.9108
318 RAM 0.9108
319 5CL 0.9105
320 K17 0.9105
321 GT0 0.9102
322 GCB 0.9102
323 5CU 0.9102
324 8TX 0.9100
325 TH0 0.9100
326 2AC 0.9100
327 9HX 0.9100
328 SX1 0.9100
329 HHA 0.9100
330 NTM 0.9099
331 JXN 0.9099
332 MCT 0.9098
333 IV2 0.9096
334 5NU 0.9095
335 2AK 0.9095
336 HT4 0.9095
337 7W1 0.9092
338 EVA 0.9090
339 XYS 0.9090
340 SKA 0.9090
341 N8Y 0.9089
342 GLF 0.9088
343 APZ 0.9088
344 E7Z 0.9087
345 HX3 0.9084
346 BHA 0.9083
347 4ZC 0.9083
348 DHK 0.9083
349 GLT 0.9082
350 XAZ 0.9082
351 FA0 0.9080
352 TC7 0.9080
353 F81 0.9078
354 2A9 0.9078
355 M1E 0.9078
356 7NI 0.9077
357 TLD 0.9073
358 MVN 0.9073
359 4M0 0.9073
360 FX1 0.9071
361 JZ2 0.9071
362 BCF 0.9070
363 FCA 0.9068
364 9EW 0.9065
365 SOR 0.9064
366 4JJ 0.9063
367 YQA 0.9062
368 SWA 0.9062
369 TTY 0.9062
370 5MH 0.9062
371 ISN 0.9062
372 1LM 0.9062
373 IPZ 0.9061
374 3IT 0.9060
375 HQT 0.9060
376 FH2 0.9060
377 5UC 0.9060
378 GYP 0.9059
379 X6X 0.9058
380 TM7 0.9057
381 FBT 0.9055
382 O72 0.9054
383 R8S 0.9053
384 NGO 0.9053
385 GJS 0.9052
386 4CL 0.9052
387 F4Z 0.9050
388 75K 0.9050
389 9KT 0.9050
390 DFB 0.9050
391 4HO 0.9048
392 AEH 0.9048
393 ABE 0.9048
394 ARB 0.9047
395 D3M 0.9045
396 AKH 0.9044
397 06B 0.9042
398 6ME 0.9042
399 PCI 0.9041
400 12Q 0.9040
401 5JC 0.9040
402 7B3 0.9040
403 CFF 0.9038
404 K32 0.9038
405 2YU 0.9037
406 2ZQ 0.9037
407 2XX 0.9036
408 G4D 0.9035
409 5B1 0.9035
410 Q6T 0.9034
411 03V 0.9034
412 KYD 0.9034
413 B55 0.9033
414 QAT 0.9032
415 6VD 0.9031
416 GM7 0.9030
417 RPQ 0.9030
418 X09 0.9029
419 GZ8 0.9027
420 5RO 0.9027
421 RIP 0.9025
422 7ZE 0.9025
423 LZM 0.9025
424 F3B 0.9024
425 SAL 0.9024
426 SF6 0.9024
427 42C 0.9023
428 FDK 0.9023
429 TTL 0.9022
430 HLR 0.9022
431 ES7 0.9021
432 IBF 0.9020
433 0FO 0.9020
434 1U6 0.9017
435 XQ0 0.9016
436 5WV 0.9016
437 5WY 0.9015
438 82I 0.9015
439 SFU 0.9013
440 GTR 0.9012
441 LI6 0.9012
442 MT5 0.9012
443 8VE 0.9012
444 QX4 0.9011
445 GDE 0.9011
446 ARA 0.9010
447 XQG 0.9009
448 CBF 0.9009
449 KP6 0.9007
450 GOO 0.9006
451 MWJ 0.9006
452 COU 0.9004
453 0MK 0.9004
454 SXS 0.9004
455 2KA 0.9003
456 EOL 0.9002
457 329 0.9000
458 MNM 0.9000
459 AZF 0.8998
460 27Y 0.8997
461 X05 0.8995
462 BR9 0.8995
463 2HQ 0.8994
464 8IG 0.8994
465 SWD 0.8991
466 3MH 0.8990
467 NEQ 0.8990
468 KOJ 0.8989
469 GXL 0.8986
470 1XX 0.8984
471 AFR 0.8983
472 6M4 0.8982
473 HNQ 0.8982
474 MA3 0.8981
475 OA3 0.8980
476 PYG 0.8980
477 5JQ 0.8978
478 DMJ 0.8976
479 RIB 0.8976
480 GSY 0.8975
481 0RW 0.8974
482 6KX 0.8974
483 DIE 0.8972
484 Y8I 0.8972
485 PHT 0.8971
486 MBD 0.8970
487 LSA 0.8969
488 SOE 0.8968
489 JB5 0.8966
490 NID 0.8966
491 RM1 0.8965
492 2AQ 0.8962
493 H6B 0.8961
494 HQD 0.8961
495 3CE 0.8960
496 IUR 0.8960
497 GMN 0.8960
498 8XQ 0.8960
499 AZ9 0.8960
500 4PW 0.8959
501 M3S 0.8958
502 42A 0.8957
503 KLW 0.8957
504 BE2 0.8956
505 K22 0.8956
506 INE 0.8955
507 4Z4 0.8954
508 ES5 0.8954
509 226 0.8951
510 FFP 0.8950
511 OCH 0.8948
512 JBK 0.8947
513 DHB 0.8947
514 4FS 0.8946
515 FPY 0.8946
516 JAE 0.8945
517 MYJ 0.8944
518 3U4 0.8944
519 GAF 0.8944
520 ES6 0.8943
521 5RN 0.8943
522 5JL 0.8942
523 F31 0.8940
524 3FA 0.8940
525 2C9 0.8940
526 2MY 0.8940
527 PSV 0.8938
528 CN0 0.8937
529 6M9 0.8937
530 5NE 0.8935
531 JKE 0.8933
532 IPB 0.8933
533 7CZ 0.8932
534 SF9 0.8932
535 BZX 0.8930
536 2CM 0.8930
537 0TR 0.8926
538 4KL 0.8924
539 6AI 0.8924
540 4XR 0.8922
541 H42 0.8921
542 JZ3 0.8920
543 FLM 0.8920
544 1WD 0.8919
545 QX2 0.8915
546 A65 0.8914
547 FUB 0.8912
548 A7W 0.8912
549 4VS 0.8912
550 Q77 0.8910
551 6MH 0.8910
552 FLV 0.8910
553 DFU 0.8910
554 3R6 0.8906
555 LYL 0.8906
556 8VN 0.8906
557 4NC 0.8906
558 CLZ 0.8905
559 GCV 0.8905
560 EA1 0.8904
561 PHH 0.8903
562 H76 0.8903
563 QWW 0.8902
564 II6 0.8901
565 QPR 0.8900
566 DIN 0.8899
567 0N7 0.8898
568 6HQ 0.8898
569 OXC 0.8897
570 64K 0.8897
571 8WO 0.8896
572 TWO 0.8895
573 IF7 0.8894
574 P9P 0.8891
575 5WU 0.8890
576 DUB 0.8890
577 286 0.8890
578 4SV 0.8888
579 QSH 0.8887
580 MRW 0.8885
581 ASC 0.8884
582 NK 0.8884
583 1X7 0.8882
584 MZG 0.8880
585 KJH 0.8879
586 PRZ 0.8878
587 4XV 0.8877
588 3GQ 0.8875
589 JBE 0.8874
590 4AA 0.8873
591 BNT 0.8871
592 4XS 0.8871
593 TVP 0.8870
594 293 0.8869
595 DOR 0.8869
596 IDH 0.8868
597 F12 0.8868
598 2CL 0.8867
599 NFQ 0.8866
600 DGJ 0.8864
601 SYA 0.8863
602 7WV 0.8862
603 DNC 0.8862
604 6UA 0.8860
605 QUZ 0.8860
606 CTL 0.8860
607 PX7 0.8859
608 FA6 0.8857
609 DBX 0.8857
610 K8X 0.8856
611 4AN 0.8854
612 4MU 0.8854
613 9PY 0.8854
614 ZB1 0.8853
615 NDH 0.8851
616 7D2 0.8851
617 QOS 0.8850
618 S76 0.8850
619 TM4 0.8850
620 5H1 0.8849
621 VNJ 0.8849
622 4ME 0.8849
623 ZZ8 0.8848
624 JXZ 0.8847
625 0R0 0.8847
626 6BL 0.8846
627 ICO 0.8846
628 EDG 0.8846
629 3MC 0.8845
630 HHR 0.8843
631 PH2 0.8843
632 2GS 0.8843
633 F1A 0.8840
634 1AB 0.8839
635 JXW 0.8837
636 JU2 0.8836
637 14O 0.8835
638 3FH 0.8833
639 F60 0.8833
640 R2B 0.8833
641 R8V 0.8833
642 4JT 0.8832
643 5MB 0.8832
644 HKD 0.8832
645 H7Y 0.8831
646 UFO 0.8831
647 0FN 0.8830
648 8WT 0.8830
649 NPY 0.8829
650 SKM 0.8828
651 7ME 0.8827
652 AIN 0.8827
653 93K 0.8825
654 PQK 0.8825
655 261 0.8825
656 SJ5 0.8824
657 CHB 0.8822
658 FP1 0.8820
659 ORO 0.8820
660 DNF 0.8820
661 BDF 0.8819
662 2HO 0.8817
663 5MI 0.8815
664 YTB 0.8815
665 INO 0.8813
666 94N 0.8810
667 R8A 0.8807
668 OMD 0.8806
669 IHB 0.8806
670 M2K 0.8805
671 BK9 0.8803
672 FGZ 0.8803
673 3SK 0.8802
674 X8D 0.8798
675 LT2 0.8797
676 KJU 0.8794
677 EYK 0.8793
678 2K4 0.8793
679 1PT 0.8793
680 1AL 0.8790
681 2A7 0.8785
682 95Z 0.8783
683 P3K 0.8782
684 ES9 0.8780
685 ZZ3 0.8780
686 BEW 0.8780
687 3R9 0.8776
688 EMZ 0.8774
689 2CK 0.8772
690 L3Q 0.8772
691 I6G 0.8770
692 FBG 0.8770
693 3C1 0.8770
694 0FK 0.8769
695 5AN 0.8767
696 3C2 0.8767
697 11S 0.8765
698 ENL 0.8764
699 ARW 0.8764
700 34D 0.8763
701 JZ1 0.8763
702 KIF 0.8762
703 RSF 0.8761
704 JKZ 0.8759
705 FDR 0.8754
706 AW5 0.8754
707 D1X 0.8754
708 XX2 0.8753
709 CGB 0.8752
710 ADA 0.8752
711 MQN 0.8751
712 DEE 0.8747
713 K6X 0.8747
714 3NT 0.8747
715 FK1 0.8743
716 NNO 0.8743
717 PBR 0.8742
718 QWN 0.8740
719 5OB 0.8740
720 TSS 0.8738
721 IP0 0.8738
722 SEJ 0.8737
723 MSN 0.8736
724 KFH 0.8735
725 4JQ 0.8734
726 9TW 0.8733
727 MS9 0.8730
728 HA7 0.8730
729 GAG 0.8729
730 8ZE 0.8729
731 HPT 0.8729
732 92K 0.8728
733 3CU 0.8727
734 0TU 0.8726
735 4YO 0.8726
736 DMD 0.8726
737 8HC 0.8726
738 K5W 0.8726
739 270 0.8724
740 FBB 0.8721
741 AX7 0.8717
742 G3E 0.8714
743 4A3 0.8714
744 K2T 0.8714
745 3PF 0.8710
746 B5D 0.8709
747 3HB 0.8708
748 1LN 0.8704
749 FHB 0.8704
750 4AV 0.8704
751 13X 0.8701
752 JTH 0.8700
753 QIC 0.8700
754 SHA 0.8699
755 K3Q 0.8699
756 GLY PRO 0.8699
757 CLW 0.8698
758 JLZ 0.8697
759 3ZQ 0.8695
760 2LP 0.8690
761 GBD 0.8690
762 H62 0.8689
763 XYL 0.8689
764 FA3 0.8686
765 ABV 0.8686
766 40O 0.8686
767 BZ3 0.8685
768 8W9 0.8685
769 5QY 0.8684
770 0LH 0.8684
771 MR1 0.8684
772 MZB 0.8679
773 ZYR 0.8677
774 Q71 0.8677
775 ICT 0.8676
776 PAF 0.8674
777 IBM 0.8671
778 3ID 0.8670
779 G12 0.8670
780 3HM 0.8669
781 SE2 0.8669
782 GNL 0.8669
783 NMJ 0.8668
784 OXE 0.8667
785 BR8 0.8665
786 OXQ 0.8664
787 3MB 0.8662
788 Z5P 0.8661
789 QXW 0.8659
790 ET2 0.8658
791 DQA 0.8658
792 2MI 0.8657
793 GAB 0.8657
794 XUL 0.8655
795 2FQ 0.8655
796 KBB 0.8653
797 FPK 0.8652
798 3AY 0.8652
799 MAG 0.8652
800 OVV 0.8651
801 N2I 0.8650
802 0JD 0.8650
803 AX2 0.8650
804 HBA 0.8650
805 N8P 0.8647
806 GV9 0.8647
807 DEN 0.8644
808 BCU 0.8643
809 AGK 0.8640
810 53C 0.8639
811 P92 0.8638
812 BSX 0.8638
813 5ZE 0.8637
814 SYV 0.8636
815 LDP 0.8635
816 ERH 0.8634
817 2CH 0.8634
818 BHO 0.8631
819 KPL 0.8630
820 HTS 0.8627
821 IDM 0.8626
822 YAN 0.8626
823 N7P 0.8622
824 RHU 0.8620
825 ODO 0.8618
826 TGX 0.8614
827 93Q 0.8614
828 8NY 0.8611
829 5VM 0.8611
830 F9Y 0.8610
831 4CS 0.8604
832 K37 0.8604
833 D48 0.8603
834 MHK 0.8600
835 IND 0.8599
836 SRT 0.8598
837 MT8 0.8597
838 0CT 0.8596
839 3OC 0.8596
840 EV0 0.8595
841 5NS 0.8594
842 20J 0.8594
843 2AF 0.8593
844 WDL 0.8592
845 KYA 0.8592
846 J5I 0.8590
847 1P8 0.8588
848 2ZX 0.8587
849 NBG 0.8585
850 3AB 0.8585
851 4TU 0.8582
852 CAQ 0.8580
853 938 0.8579
854 JZ9 0.8578
855 60P 0.8578
856 TLA 0.8575
857 0R1 0.8572
858 BZI 0.8572
859 3BZ 0.8571
860 FBV 0.8568
861 NVU 0.8566
862 GVH 0.8563
863 4JP 0.8563
864 1U1 0.8561
865 PHB 0.8560
866 9R5 0.8560
867 5HN 0.8556
868 BZF 0.8556
869 GIF 0.8554
870 TMZ 0.8552
871 4TE 0.8550
872 42J 0.8550
873 NPO 0.8550
874 CKU 0.8545
875 MPI 0.8544
876 LZ1 0.8529
877 KGK 0.8528
878 B0D 0.8510
879 0XT 0.8503
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1AJ0; Ligand: PH2; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 1aj0.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 6JWS PT1 46.8085
2 6JWS PT1 46.8085
Pocket No.: 2; Query (leader) PDB : 1AJ0; Ligand: SAN; Similar sites found with APoc: 2
This union binding pocket(no: 2) in the query (biounit: 1aj0.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 6JWS PT1 46.8085
2 6JWS PT1 46.8085
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