Receptor
PDB id Resolution Class Description Source Keywords
3H2F 2.2 Å EC: 2.5.1.15 STRUCTURAL STUDIES OF PTERIN-BASED INHIBITORS OF DIHYDROPTER SYNTHASE BACILLUS ANTHRACIS STR. A2012 ANTHRACIS FOLATE BIOSYNTHESIS DIHYDROPTEROATE PTERINE TRANSFERASE TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: STRUCTURAL STUDIES OF PTERIN-BASED INHIBITORS OF DIHYDROPTEROATE SYNTHASE. J.MED.CHEM. V. 53 166 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
B60 A:901;
B:902;
 Valid;
Valid;
 none;
none;
 ic50 = 86.7 uM
179.179 C7 H9 N5 O CN1CC...
SO4 A:278;
A:279;
A:280;
B:278;
B:279;
B:280;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3H22 2.4 Å EC: 2.5.1.15 STRUCTURAL STUDIES OF PTERIN-BASED INHIBITORS OF DIHYDROPTER SYNTHASE BACILLUS ANTHRACIS STR. A2012 ANTHRACIS FOLATE BIOSYNTHESIS DIHYDROPTEROATE PTERINE TRANSFERASE TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: STRUCTURAL STUDIES OF PTERIN-BASED INHIBITORS OF DIHYDROPTEROATE SYNTHASE. J.MED.CHEM. V. 53 166 2010
Members (25)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 4D8Z Kd = 0.51 uM 0J2 C10 H11 N5 O4 C[C@H](CC(....
2 4DB7 Kd = 0.273 uM Z25 C9 H9 N5 O4 C(CC(=O)O)....
3 4D8A - 0HY C11 H13 N5 O4 C[C@H](CC(....
4 4DAF Kd = 0.076 uM 0J4 C9 H9 N5 O4 C[C@H](C1=....
5 3H22 ic50 = 8 uM B53 C4 H5 N5 O2 C1(=C(N=C(....
6 4NIL - 2O8 C8 H6 F3 N O S c1cc(ccc1C....
7 1TX2 - 680 C5 H7 N5 O3 CNC1=C(C(=....
8 1TWW - HH2 C7 H9 N5 O8 P2 c1c(nc2c(n....
9 3TYE - XHP C7 H7 N5 O C=C1CN=C2C....
10 3H2M ic50 = 215 uM B61 C11 H17 N5 O2 CC(C)(CC1=....
11 3H24 - B55 C5 H5 N5 O S c12c([nH]c....
12 3TYC - XHP C7 H7 N5 O C=C1CN=C2C....
13 3H2F ic50 = 86.7 uM B60 C7 H9 N5 O CN1CC=NC2=....
14 1TX0 - PT1 C14 H12 N6 O3 c1cc(ccc1C....
15 3H21 ic50 = 19.8 uM B52 C10 H11 N5 O4 C[C@H](C1=....
16 4D9P ic50 = 145 uM Z17 C11 H13 N5 O4 C[C@H](CC(....
17 3H26 ic50 = 32.4 uM B56 C8 H9 N5 O3 CN1CC(=NC2....
18 3TYD - XHP C7 H7 N5 O C=C1CN=C2C....
19 4DAI Kd = 110 nM 0J5 C8 H7 N5 O4 C(C1=NNC2=....
20 4NHV - 2O6 C8 H5 F3 N2 O c1cc2c(cc1....
21 3H2N ic50 = 212.6 uM B62 C7 H11 N5 O C[C@@H]1CN....
22 4NL1 - Z13 C16 H11 F6 N c1cc(ccc1C....
23 3H23 ic50 = 19.3 uM B54 C14 H15 N5 O5 c1cc(ccc1C....
24 3H2A ic50 = 108.9 uM B57 C4 H5 N5 O3 C1(=C(N=C(....
25 4NIR - 6DH C11 H11 F3 N2 O c1cc2c(cc1....
70% Homology Family (25)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 4D8Z Kd = 0.51 uM 0J2 C10 H11 N5 O4 C[C@H](CC(....
2 4DB7 Kd = 0.273 uM Z25 C9 H9 N5 O4 C(CC(=O)O)....
3 4D8A - 0HY C11 H13 N5 O4 C[C@H](CC(....
4 4DAF Kd = 0.076 uM 0J4 C9 H9 N5 O4 C[C@H](C1=....
5 3H22 ic50 = 8 uM B53 C4 H5 N5 O2 C1(=C(N=C(....
6 4NIL - 2O8 C8 H6 F3 N O S c1cc(ccc1C....
7 1TX2 - 680 C5 H7 N5 O3 CNC1=C(C(=....
8 1TWW - HH2 C7 H9 N5 O8 P2 c1c(nc2c(n....
9 3TYE - XHP C7 H7 N5 O C=C1CN=C2C....
10 3H2M ic50 = 215 uM B61 C11 H17 N5 O2 CC(C)(CC1=....
11 3H24 - B55 C5 H5 N5 O S c12c([nH]c....
12 3TYC - XHP C7 H7 N5 O C=C1CN=C2C....
13 3H2F ic50 = 86.7 uM B60 C7 H9 N5 O CN1CC=NC2=....
14 1TX0 - PT1 C14 H12 N6 O3 c1cc(ccc1C....
15 3H21 ic50 = 19.8 uM B52 C10 H11 N5 O4 C[C@H](C1=....
16 4D9P ic50 = 145 uM Z17 C11 H13 N5 O4 C[C@H](CC(....
17 3H26 ic50 = 32.4 uM B56 C8 H9 N5 O3 CN1CC(=NC2....
18 3TYD - XHP C7 H7 N5 O C=C1CN=C2C....
19 4DAI Kd = 110 nM 0J5 C8 H7 N5 O4 C(C1=NNC2=....
20 4NHV - 2O6 C8 H5 F3 N2 O c1cc2c(cc1....
21 3H2N ic50 = 212.6 uM B62 C7 H11 N5 O C[C@@H]1CN....
22 4NL1 - Z13 C16 H11 F6 N c1cc(ccc1C....
23 3H23 ic50 = 19.3 uM B54 C14 H15 N5 O5 c1cc(ccc1C....
24 3H2A ic50 = 108.9 uM B57 C4 H5 N5 O3 C1(=C(N=C(....
25 4NIR - 6DH C11 H11 F3 N2 O c1cc2c(cc1....
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: B60; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 B60 1 1
2 B56 0.431034 0.885246
Similar Ligands (3D)
Ligand no: 1; Ligand: B60; Similar ligands found: 909
No: Ligand Similarity coefficient
1 MAQ 1.0000
2 9MG 0.9809
3 PE0 0.9802
4 DPZ 0.9780
5 TOF 0.9777
6 BGC 0.9775
7 G3F 0.9770
8 UNC 0.9769
9 MUA 0.9768
10 M1Q 0.9765
11 8CM 0.9751
12 AZ8 0.9750
13 0P6 0.9750
14 AQO 0.9748
15 AJ2 0.9743
16 GCS 0.9741
17 Q24 0.9736
18 M5K 0.9735
19 J9W 0.9734
20 32X 0.9731
21 M6N 0.9731
22 MEW 0.9729
23 8S0 0.9713
24 NDM 0.9706
25 4HC 0.9703
26 FOT 0.9695
27 CWS 0.9695
28 KUF 0.9685
29 IJZ 0.9663
30 AJV 0.9662
31 7VJ 0.9656
32 DHQ 0.9652
33 ZVO 0.9650
34 2AK 0.9642
35 UAN 0.9628
36 5WX 0.9626
37 Q7A 0.9626
38 C2U 0.9615
39 BEA 0.9607
40 GLC 0.9599
41 JBQ 0.9590
42 JUG 0.9581
43 XHP 0.9580
44 DRL 0.9579
45 9DG 0.9579
46 3WA 0.9571
47 N8Y 0.9565
48 NTZ 0.9561
49 AZA 0.9559
50 7VS 0.9557
51 HJP 0.9555
52 QX4 0.9555
53 GUN 0.9554
54 M0W 0.9553
55 44W 0.9544
56 BDP 0.9543
57 GAL 0.9537
58 SHG 0.9533
59 AZ9 0.9531
60 FLV 0.9530
61 B62 0.9528
62 M1H 0.9528
63 226 0.9524
64 TEP 0.9524
65 DQU 0.9523
66 OTW 0.9519
67 MO8 0.9518
68 680 0.9514
69 QBK 0.9511
70 1NP 0.9506
71 0FO 0.9504
72 5RG 0.9503
73 3Z8 0.9497
74 5Q0 0.9497
75 6VD 0.9497
76 IGA 0.9497
77 ES1 0.9496
78 HQY 0.9493
79 PYQ 0.9492
80 FDB 0.9490
81 G1O 0.9489
82 HQD 0.9485
83 XAN 0.9484
84 7B3 0.9482
85 4MU 0.9479
86 0N7 0.9479
87 6ME 0.9478
88 86J 0.9477
89 O72 0.9474
90 24W 0.9474
91 4YS 0.9473
92 141 0.9471
93 5IQ 0.9471
94 5SG 0.9471
95 1SQ 0.9471
96 1LQ 0.9470
97 JPZ 0.9469
98 HLZ 0.9468
99 12B 0.9466
100 B53 0.9465
101 JBH 0.9465
102 B57 0.9463
103 CLZ 0.9459
104 54G 0.9457
105 URC 0.9457
106 NQ 0.9456
107 N5J 0.9453
108 5M0 0.9453
109 1P7 0.9452
110 ADZ 0.9449
111 44V 0.9448
112 GTQ 0.9446
113 KJY 0.9442
114 COU 0.9438
115 D07 0.9436
116 MVN 0.9435
117 VK3 0.9434
118 2HQ 0.9434
119 CFP 0.9433
120 LGC 0.9433
121 6CS 0.9432
122 1XN 0.9432
123 X8D 0.9431
124 6BL 0.9430
125 1LM 0.9427
126 E7Z 0.9425
127 CFF 0.9422
128 APZ 0.9421
129 7ZE 0.9418
130 M0Q 0.9418
131 DIU 0.9417
132 KT7 0.9415
133 OCH 0.9412
134 DX4 0.9412
135 G12 0.9408
136 BOA 0.9405
137 B55 0.9404
138 5WY 0.9404
139 RXA 0.9403
140 18N 0.9403
141 EA1 0.9402
142 A2F 0.9401
143 ISN 0.9401
144 2ZQ 0.9398
145 03V 0.9398
146 I3A 0.9396
147 7NI 0.9394
148 BCP 0.9394
149 12Q 0.9392
150 2AQ 0.9391
151 4KL 0.9388
152 LKA 0.9388
153 YSO 0.9387
154 Q77 0.9386
155 GXY 0.9380
156 8TX 0.9380
157 290 0.9379
158 9KT 0.9378
159 3IT 0.9377
160 5MK 0.9376
161 1KP 0.9376
162 4XH 0.9376
163 4FS 0.9375
164 UEG 0.9374
165 YH7 0.9370
166 Q6T 0.9369
167 HH8 0.9368
168 PXL 0.9368
169 ES5 0.9367
170 G3E 0.9367
171 JB5 0.9363
172 SX1 0.9362
173 XAZ 0.9362
174 1XM 0.9362
175 75K 0.9360
176 KKN 0.9358
177 5JQ 0.9356
178 BTY 0.9355
179 3PF 0.9354
180 PRF 0.9354
181 0W8 0.9352
182 4Z4 0.9351
183 DBJ 0.9350
184 6GU 0.9350
185 EJZ 0.9349
186 EQT 0.9347
187 HQT 0.9347
188 7W4 0.9347
189 G5V 0.9345
190 7HQ 0.9345
191 5B1 0.9345
192 GCU 0.9345
193 RM1 0.9343
194 M1E 0.9343
195 LZM 0.9339
196 6AP 0.9337
197 5QX 0.9336
198 UFO 0.9335
199 4VS 0.9332
200 SVN 0.9332
201 3HA 0.9330
202 G6D 0.9329
203 NOJ 0.9329
204 OA3 0.9328
205 7B4 0.9327
206 5NE 0.9327
207 7W1 0.9327
208 PQ0 0.9326
209 SRO 0.9324
210 NID 0.9323
211 42C 0.9320
212 AZG 0.9320
213 42A 0.9316
214 5WV 0.9316
215 3F0 0.9316
216 DBH 0.9312
217 7ME 0.9312
218 92K 0.9310
219 0CU 0.9310
220 A7W 0.9305
221 ES7 0.9305
222 SE2 0.9304
223 3M0 0.9303
224 R8V 0.9303
225 209 0.9301
226 ISE 0.9299
227 25W 0.9296
228 TTL 0.9296
229 39A 0.9295
230 H42 0.9293
231 XXR 0.9293
232 PFB 0.9292
233 DIN 0.9290
234 JXN 0.9289
235 ICO 0.9286
236 FE DB1 0.9286
237 37T 0.9285
238 AKH 0.9280
239 2FQ 0.9277
240 8IG 0.9277
241 495 0.9276
242 JBK 0.9276
243 MT0 0.9274
244 H33 0.9273
245 GRE 0.9273
246 HH5 0.9273
247 3MG 0.9272
248 5OB 0.9272
249 LI6 0.9272
250 2D0 0.9272
251 KJH 0.9271
252 6M9 0.9266
253 OXC 0.9263
254 5RO 0.9263
255 PXM 0.9260
256 5JL 0.9255
257 INE 0.9253
258 WOO 0.9253
259 EVA 0.9250
260 5QY 0.9247
261 AEZ 0.9246
262 F05 0.9243
263 ORO 0.9243
264 D48 0.9241
265 2EC 0.9239
266 9TZ 0.9238
267 TTY 0.9237
268 J5I 0.9235
269 AJY 0.9234
270 GCB 0.9233
271 HHR 0.9232
272 0FK 0.9231
273 MRW 0.9229
274 XQ0 0.9228
275 V55 0.9227
276 0RW 0.9226
277 HNQ 0.9226
278 39O 0.9224
279 M1A 0.9224
280 LT2 0.9224
281 6M4 0.9224
282 ALL 0.9222
283 9EW 0.9221
284 PH2 0.9220
285 6M1 0.9217
286 HZQ 0.9216
287 IV2 0.9211
288 LSA 0.9211
289 MWP 0.9210
290 CTS 0.9210
291 6F0 0.9209
292 8HC 0.9208
293 PRZ 0.9206
294 GIM 0.9205
295 5RN 0.9203
296 SOR 0.9202
297 4AA 0.9201
298 4AN 0.9200
299 AW5 0.9198
300 ZYR 0.9197
301 F5B 0.9196
302 2H5 0.9196
303 Q88 0.9194
304 SKA 0.9193
305 DOR 0.9191
306 67N 0.9191
307 Q71 0.9188
308 HLR 0.9187
309 I6G 0.9185
310 3ID 0.9185
311 EXO 0.9185
312 3DO 0.9183
313 FDR 0.9182
314 F0J 0.9179
315 82I 0.9179
316 QUZ 0.9175
317 5NS 0.9175
318 PHH 0.9174
319 DNC 0.9173
320 SAL 0.9172
321 LDR 0.9172
322 PEY 0.9172
323 KIB 0.9171
324 4M4 0.9171
325 8XQ 0.9170
326 A29 0.9167
327 4ME 0.9166
328 2ZV 0.9166
329 BZ3 0.9165
330 4JQ 0.9164
331 N2I 0.9164
332 MVL 0.9162
333 HTP 0.9158
334 ADK 0.9157
335 JBE 0.9157
336 ES0 0.9155
337 CWM 0.9155
338 DMD 0.9155
339 1WG 0.9154
340 HHA 0.9150
341 34D 0.9150
342 NPY 0.9148
343 4JT 0.9147
344 BHO 0.9146
345 M2K 0.9145
346 SWD 0.9145
347 SWA 0.9144
348 0XT 0.9144
349 TBS 0.9143
350 HKD 0.9142
351 BTE 0.9142
352 QPR 0.9141
353 VNL 0.9140
354 GOX 0.9140
355 HFB 0.9134
356 GOG 0.9134
357 FA0 0.9132
358 KJU 0.9131
359 GCW 0.9130
360 BZX 0.9130
361 XYP 0.9130
362 20J 0.9128
363 4M0 0.9125
364 9AP 0.9125
365 4CS 0.9124
366 GIO 0.9124
367 ROI 0.9123
368 RPQ 0.9123
369 INS 0.9121
370 XQG 0.9121
371 MQN 0.9121
372 8GC 0.9119
373 BPU 0.9117
374 SXS 0.9117
375 5CU 0.9116
376 DX3 0.9115
377 JAE 0.9114
378 PHT 0.9112
379 K17 0.9112
380 9R5 0.9110
381 6MP 0.9110
382 DOB 0.9108
383 BK9 0.9104
384 LXC 0.9104
385 8WT 0.9103
386 DQN 0.9102
387 TIY 0.9100
388 BHA 0.9100
389 NTM 0.9100
390 HPA 0.9098
391 CTL 0.9097
392 RAM 0.9096
393 K32 0.9096
394 KYA 0.9095
395 BE2 0.9095
396 GYE 0.9093
397 8ZE 0.9093
398 Z5P 0.9093
399 2CQ 0.9093
400 5NU 0.9093
401 KIA 0.9093
402 2LY 0.9092
403 4YO 0.9092
404 0TU 0.9091
405 JU2 0.9091
406 ADE 0.9090
407 3U4 0.9090
408 2KA 0.9088
409 5XC 0.9087
410 1X7 0.9083
411 NDH 0.9083
412 64C 0.9082
413 5WU 0.9081
414 SYV 0.9078
415 DBX 0.9077
416 8W9 0.9073
417 FYU 0.9072
418 5H1 0.9071
419 GTZ 0.9071
420 PX7 0.9067
421 14O 0.9067
422 JG8 0.9064
423 EYK 0.9064
424 0JD 0.9062
425 3MB 0.9061
426 10L 0.9060
427 3HB 0.9058
428 150 0.9058
429 FBG 0.9058
430 173 0.9057
431 QAS 0.9057
432 MR1 0.9054
433 4TU 0.9052
434 OVM 0.9052
435 TT4 0.9052
436 KDV 0.9051
437 B5D 0.9050
438 9HX 0.9050
439 GM7 0.9049
440 ES6 0.9049
441 BP1 0.9049
442 FBB 0.9047
443 GAB 0.9047
444 15N 0.9046
445 92P 0.9044
446 TH7 0.9043
447 LZ2 0.9042
448 9DA 0.9040
449 7WA 0.9040
450 FBT 0.9039
451 GJS 0.9037
452 F60 0.9037
453 MT8 0.9037
454 3AB 0.9036
455 C2Y 0.9036
456 5MB 0.9034
457 3NT 0.9033
458 JKE 0.9033
459 3RK 0.9031
460 ZZ8 0.9030
461 1U6 0.9030
462 DNF 0.9028
463 6AI 0.9027
464 7HP 0.9027
465 K22 0.9026
466 5HN 0.9025
467 KLW 0.9023
468 BMA 0.9022
469 OVV 0.9021
470 HMH 0.9019
471 MHK 0.9017
472 QAT 0.9016
473 TSS 0.9015
474 AHR 0.9014
475 G2F 0.9014
476 PCI 0.9014
477 GT0 0.9013
478 GLA 0.9013
479 A13 0.9013
480 K2T 0.9010
481 ES9 0.9010
482 GZ8 0.9009
483 ES2 0.9009
484 1P8 0.9008
485 5GU 0.9008
486 4SV 0.9008
487 ES4 0.9008
488 PDC 0.9007
489 SYA 0.9007
490 2K4 0.9007
491 KBG 0.9007
492 9FL 0.9005
493 1DW 0.9004
494 5MI 0.9002
495 IFL 0.9002
496 X05 0.9000
497 3DM 0.9000
498 BCF 0.9000
499 H5B 0.8999
500 JXW 0.8998
501 CLW 0.8996
502 23A 0.8994
503 HMU 0.8992
504 ET2 0.8992
505 7WV 0.8986
506 53C 0.8986
507 BBF 0.8983
508 45C 0.8982
509 5CL 0.8982
510 WCE 0.8981
511 36R 0.8981
512 M5N 0.8980
513 ASO 0.8978
514 3BZ 0.8977
515 MAN 0.8975
516 GDE 0.8974
517 FK1 0.8974
518 F12 0.8973
519 D1X 0.8972
520 537 0.8971
521 IBM 0.8970
522 GCV 0.8969
523 ZZZ 0.8968
524 2CK 0.8966
525 H4N 0.8964
526 2AL 0.8963
527 28N 0.8962
528 NVU 0.8962
529 F4Z 0.8961
530 SHA 0.8960
531 PM6 0.8958
532 11S 0.8958
533 FGZ 0.8958
534 1IT 0.8957
535 06B 0.8957
536 YQA 0.8957
537 94W 0.8954
538 VGD 0.8953
539 3Z7 0.8952
540 X09 0.8951
541 TC7 0.8950
542 1WD 0.8949
543 9CA 0.8949
544 TGX 0.8947
545 JTH 0.8947
546 ZZT 0.8946
547 SOE 0.8945
548 BCU 0.8942
549 GTR 0.8939
550 4NC 0.8936
551 MS9 0.8936
552 I1N 0.8936
553 ESI 0.8935
554 ODO 0.8933
555 FSW 0.8933
556 8GK 0.8932
557 3R6 0.8929
558 X0W 0.8926
559 3GQ 0.8924
560 BRT 0.8923
561 4ZC 0.8922
562 K6X 0.8922
563 TWO 0.8922
564 3MA 0.8921
565 GVG 0.8921
566 091 0.8918
567 HA7 0.8917
568 FP1 0.8917
569 8H8 0.8917
570 DNA 0.8913
571 0FN 0.8909
572 HA5 0.8909
573 ASC 0.8908
574 APS 0.8908
575 3FH 0.8907
576 IBF 0.8907
577 CWJ 0.8906
578 ABV 0.8904
579 3NY 0.8902
580 5VM 0.8901
581 4RU 0.8901
582 F3B 0.8901
583 24B 0.8900
584 BSP 0.8900
585 8OZ 0.8899
586 15E 0.8897
587 MBG 0.8896
588 P3K 0.8896
589 R9Y 0.8895
590 UQ 0.8895
591 T6C 0.8894
592 FUC 0.8893
593 KYD 0.8890
594 2BG 0.8889
595 HHS 0.8887
596 F9Y 0.8887
597 EUG 0.8884
598 GJP 0.8883
599 J9T 0.8883
600 30G 0.8883
601 GLT 0.8881
602 VNJ 0.8881
603 KFH 0.8880
604 8WO 0.8880
605 2K8 0.8879
606 AIN 0.8879
607 8NY 0.8877
608 MMA 0.8877
609 CH9 0.8877
610 J9Q 0.8876
611 VOH 0.8876
612 329 0.8875
613 1F1 0.8875
614 RMN 0.8875
615 DEE 0.8874
616 5VL 0.8873
617 0HO 0.8873
618 L7T 0.8873
619 7MU 0.8873
620 FBU 0.8870
621 E1T 0.8869
622 ZWZ 0.8866
623 1HN 0.8863
624 3J8 0.8861
625 5NI 0.8859
626 MIG 0.8857
627 2ZM 0.8857
628 GOO 0.8857
629 HIS 0.8855
630 K8X 0.8854
631 DHK 0.8854
632 M3S 0.8853
633 JFD 0.8853
634 6RQ 0.8851
635 GAF 0.8851
636 MT5 0.8850
637 149 0.8849
638 GXL 0.8849
639 GZL 0.8849
640 AMG 0.8849
641 KGK 0.8849
642 XX2 0.8849
643 2MN 0.8847
644 0HN 0.8847
645 2FG 0.8847
646 MYJ 0.8845
647 2HU 0.8842
648 582 0.8842
649 DIE 0.8841
650 23J 0.8840
651 SKM 0.8840
652 MFU 0.8840
653 FUL 0.8839
654 DHB 0.8836
655 97T 0.8836
656 7WR 0.8831
657 OW4 0.8825
658 1GN 0.8825
659 7MH 0.8823
660 GIV 0.8821
661 HXX 0.8820
662 4HM 0.8820
663 2HO 0.8820
664 9FE 0.8820
665 NNO 0.8819
666 INO 0.8819
667 NSP 0.8818
668 0F9 0.8818
669 3QV 0.8816
670 MXX 0.8816
671 JKZ 0.8816
672 2SX 0.8816
673 9PY 0.8814
674 JIF 0.8814
675 FHB 0.8814
676 5VJ 0.8811
677 0LH 0.8811
678 8MO 0.8811
679 X6X 0.8810
680 XM0 0.8809
681 NIZ 0.8809
682 93K 0.8809
683 7MX 0.8808
684 P9P 0.8808
685 CKA 0.8808
686 K5W 0.8807
687 AA 0.8806
688 NOY 0.8805
689 JYB 0.8805
690 4A3 0.8805
691 BNT 0.8804
692 9TW 0.8802
693 FRU 0.8802
694 V1T 0.8798
695 F31 0.8798
696 XIY 0.8797
697 AX7 0.8797
698 JF2 0.8795
699 E35 0.8785
700 NAG 0.8782
701 KIF 0.8780
702 JLZ 0.8779
703 270 0.8779
704 NCT 0.8778
705 3HM 0.8777
706 ISZ 0.8777
707 DEN 0.8776
708 7CZ 0.8774
709 3A9 0.8773
710 JZ3 0.8773
711 6NT 0.8772
712 CHB 0.8772
713 M4E 0.8770
714 GV9 0.8770
715 P92 0.8770
716 KBB 0.8769
717 O2A 0.8768
718 0R0 0.8768
719 XM5 0.8767
720 3SK 0.8766
721 1QP 0.8765
722 LT8 0.8764
723 TVP 0.8763
724 VXX 0.8761
725 DRG 0.8758
726 51R 0.8757
727 HLD 0.8756
728 KTW 0.8750
729 6NI 0.8750
730 1P3 0.8750
731 LDP 0.8746
732 NLA 0.8745
733 344 0.8745
734 3XX 0.8744
735 SJ5 0.8743
736 9ZE 0.8742
737 QWN 0.8741
738 069 0.8741
739 ABI 0.8740
740 IPB 0.8740
741 JXZ 0.8738
742 2FY 0.8738
743 SLS 0.8738
744 6X9 0.8736
745 67X 0.8736
746 MCT 0.8733
747 261 0.8733
748 S76 0.8732
749 QX2 0.8730
750 CFI 0.8730
751 27B 0.8730
752 ANF 0.8729
753 0TR 0.8727
754 AP4 0.8727
755 GSY 0.8725
756 2A9 0.8724
757 52C 0.8724
758 RNS 0.8724
759 JR2 0.8720
760 IND 0.8720
761 BZI 0.8719
762 JAW 0.8719
763 QSH 0.8718
764 39U 0.8718
765 EKZ 0.8717
766 0GZ 0.8716
767 FDK 0.8716
768 3OC 0.8715
769 MWM 0.8710
770 F81 0.8709
771 2MI 0.8709
772 BZF 0.8709
773 PD2 0.8708
774 GNM 0.8707
775 PHE 0.8706
776 TQU 0.8706
777 EN1 0.8703
778 LNR 0.8703
779 K37 0.8703
780 EOL 0.8700
781 FB1 0.8700
782 IHB 0.8698
783 DMJ 0.8697
784 GTL 0.8697
785 URF 0.8697
786 6R8 0.8697
787 1M2 0.8696
788 TH0 0.8694
789 D3M 0.8692
790 HX3 0.8692
791 F2W 0.8692
792 TXW 0.8689
793 4ZE 0.8689
794 QOS 0.8686
795 S3B 0.8685
796 FBV 0.8685
797 OVP 0.8684
798 NMJ 0.8683
799 PJW 0.8683
800 IDM 0.8683
801 W81 0.8683
802 TDR 0.8682
803 L5V 0.8680
804 GVH 0.8679
805 TFU 0.8678
806 C9E 0.8677
807 NK 0.8675
808 4HO 0.8674
809 THA 0.8674
810 FH2 0.8674
811 6OT 0.8673
812 2AC 0.8672
813 H7Y 0.8670
814 QWW 0.8670
815 HQJ 0.8670
816 0R1 0.8669
817 LCN 0.8667
818 QXW 0.8666
819 QQQ 0.8666
820 60Q 0.8665
821 F1A 0.8665
822 0CT 0.8664
823 XBZ 0.8664
824 PA1 0.8664
825 JF1 0.8663
826 JND 0.8662
827 PYD 0.8661
828 UFV 0.8661
829 LZ1 0.8659
830 5UC 0.8658
831 1MC 0.8656
832 MPI 0.8656
833 IFP 0.8655
834 2JK 0.8651
835 43M 0.8651
836 JA8 0.8650
837 BZJ 0.8650
838 WBU 0.8649
839 R8S 0.8649
840 8NX 0.8647
841 FBW 0.8646
842 5JC 0.8643
843 AY4 0.8640
844 4CL 0.8640
845 4JP 0.8639
846 68A 0.8635
847 XCZ 0.8634
848 4XV 0.8634
849 JZ2 0.8634
850 5MH 0.8634
851 275 0.8632
852 4JJ 0.8630
853 2MP 0.8629
854 MB1 0.8627
855 X0V 0.8625
856 TBP 0.8623
857 TM7 0.8622
858 GLF 0.8621
859 A1U 0.8621
860 HT4 0.8620
861 R6T 0.8618
862 QSB 0.8618
863 34A 0.8618
864 4VY 0.8617
865 ICP 0.8614
866 3RI 0.8614
867 NPO 0.8610
868 64E 0.8607
869 DK1 0.8607
870 6E8 0.8604
871 XYD 0.8604
872 JDN 0.8602
873 PBA 0.8601
874 948 0.8601
875 2F6 0.8600
876 OTD 0.8600
877 CN0 0.8600
878 DPT 0.8598
879 NBZ 0.8597
880 7I2 0.8590
881 EGR 0.8590
882 6PC 0.8588
883 5TY 0.8586
884 M6Z 0.8583
885 JB8 0.8581
886 ONR 0.8580
887 4XS 0.8577
888 CK2 0.8576
889 EMZ 0.8572
890 6LW 0.8571
891 L3Q 0.8570
892 CBF 0.8568
893 28S 0.8567
894 TLD 0.8565
895 4P5 0.8565
896 ZZ3 0.8559
897 KJ5 0.8557
898 PZA 0.8555
899 BPY 0.8554
900 AN3 0.8552
901 FHN 0.8550
902 CB1 0.8550
903 JP2 0.8543
904 TNF 0.8536
905 LAO 0.8535
906 0W1 0.8530
907 3TJ 0.8530
908 9RW 0.8525
909 CCV 0.8520
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3H22; Ligand: B53; 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: 3h22.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3H22; Ligand: B53; 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: 3h22.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3H22; Ligand: B53; 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: 3h22.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3H22; Ligand: B53; 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: 3h22.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
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