Receptor
PDB id Resolution Class Description Source Keywords
3H2N 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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
B62 A:901;
B:902;
Valid;
Valid;
none;
none;
ic50 = 212.6 uM
181.195 C7 H11 N5 O C[C@@...
SO4 A:301;
A:303;
A:305;
A:306;
B:302;
B:304;
B:307;
B:308;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
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: B62; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 44V 1 1
2 B62 1 1
3 2K8 0.54717 0.85
4 ZZZ 0.54717 0.927273
5 H4B 0.526316 0.852459
6 BHS 0.526316 0.852459
Similar Ligands (3D)
Ligand no: 1; Ligand: B62; Similar ligands found: 1297
No: Ligand Similarity coefficient
1 DQU 1.0000
2 XHP 1.0000
3 44W 1.0000
4 QX4 1.0000
5 OTW 0.9997
6 MVN 0.9981
7 0FO 0.9975
8 6ME 0.9925
9 PH2 0.9905
10 HHR 0.9813
11 QBK 0.9806
12 4HC 0.9791
13 Q24 0.9786
14 M6N 0.9778
15 AQO 0.9775
16 J9W 0.9775
17 M1Q 0.9775
18 MEW 0.9773
19 M5K 0.9769
20 AJ2 0.9767
21 PE0 0.9766
22 PRF 0.9759
23 MQN 0.9744
24 MO8 0.9743
25 MUA 0.9738
26 2FQ 0.9736
27 4JQ 0.9733
28 0P6 0.9732
29 URC 0.9732
30 KUF 0.9726
31 CLZ 0.9723
32 8CM 0.9722
33 0TU 0.9722
34 AZ8 0.9717
35 2AK 0.9708
36 BTY 0.9705
37 FDR 0.9701
38 CWS 0.9686
39 XAZ 0.9684
40 9R5 0.9680
41 4YO 0.9676
42 DRL 0.9674
43 3Z8 0.9656
44 75K 0.9637
45 8TX 0.9628
46 5JQ 0.9622
47 KT7 0.9615
48 B55 0.9615
49 AJV 0.9610
50 0N7 0.9606
51 N8Y 0.9605
52 MAQ 0.9594
53 5JL 0.9594
54 86J 0.9582
55 2HQ 0.9576
56 COU 0.9576
57 BEA 0.9574
58 AZ9 0.9573
59 RXA 0.9568
60 HQD 0.9566
61 2AQ 0.9564
62 B5D 0.9562
63 6VD 0.9562
64 OCH 0.9560
65 NQ 0.9555
66 VK3 0.9545
67 APZ 0.9544
68 03V 0.9543
69 TGX 0.9535
70 ES5 0.9534
71 JB5 0.9530
72 FBB 0.9529
73 B60 0.9528
74 4FS 0.9528
75 INE 0.9528
76 Q71 0.9525
77 E7Z 0.9523
78 D07 0.9522
79 PQ0 0.9518
80 K2T 0.9518
81 H42 0.9518
82 XQ0 0.9513
83 G3E 0.9508
84 2EC 0.9497
85 FDB 0.9495
86 20J 0.9489
87 8IG 0.9486
88 PYQ 0.9484
89 SE2 0.9483
90 NID 0.9477
91 9MG 0.9471
92 4MU 0.9462
93 TT4 0.9462
94 2D0 0.9459
95 1SQ 0.9458
96 BGC 0.9458
97 3DO 0.9455
98 7ME 0.9452
99 4JT 0.9450
100 4TU 0.9449
101 1LQ 0.9449
102 92K 0.9448
103 3PF 0.9448
104 XAN 0.9448
105 GXY 0.9445
106 IJZ 0.9445
107 TOF 0.9444
108 D48 0.9441
109 3M0 0.9441
110 Q77 0.9440
111 KJH 0.9440
112 4Z4 0.9440
113 ISN 0.9437
114 ES1 0.9436
115 3F0 0.9436
116 15E 0.9434
117 36R 0.9432
118 1NP 0.9431
119 MRW 0.9429
120 4YS 0.9425
121 JBH 0.9425
122 5QX 0.9425
123 HHS 0.9425
124 5QY 0.9425
125 BHA 0.9424
126 FA0 0.9423
127 DOB 0.9423
128 DBH 0.9423
129 I3A 0.9423
130 5SG 0.9422
131 DX3 0.9422
132 2KA 0.9421
133 7VS 0.9420
134 9DG 0.9420
135 TTL 0.9418
136 DIN 0.9417
137 5Q0 0.9417
138 4M0 0.9416
139 DBJ 0.9416
140 8WO 0.9414
141 AZA 0.9411
142 JPZ 0.9408
143 PEY 0.9406
144 KKN 0.9405
145 CLW 0.9405
146 3HA 0.9405
147 ET2 0.9404
148 GUN 0.9404
149 N2I 0.9403
150 HQY 0.9402
151 VNL 0.9402
152 5IQ 0.9401
153 12Q 0.9401
154 J5I 0.9398
155 M0Q 0.9398
156 LT2 0.9397
157 A7W 0.9396
158 1LM 0.9396
159 EA1 0.9394
160 FE DB1 0.9393
161 ROI 0.9393
162 7W1 0.9390
163 KJY 0.9390
164 ADZ 0.9389
165 9KT 0.9387
166 32X 0.9387
167 O72 0.9386
168 HLZ 0.9384
169 HHA 0.9384
170 8WT 0.9384
171 R8V 0.9382
172 7B4 0.9381
173 ES7 0.9379
174 J9T 0.9378
175 24W 0.9377
176 TWO 0.9374
177 BPU 0.9374
178 5NU 0.9373
179 M0W 0.9370
180 ES2 0.9370
181 5VM 0.9368
182 ZYR 0.9367
183 2A9 0.9366
184 5WV 0.9364
185 7W4 0.9363
186 CWM 0.9363
187 0W8 0.9363
188 NDM 0.9363
189 7HQ 0.9361
190 7MU 0.9360
191 JBK 0.9359
192 N5J 0.9359
193 VOH 0.9358
194 9FL 0.9358
195 FOT 0.9358
196 5RO 0.9357
197 0FK 0.9356
198 M1H 0.9355
199 AJY 0.9353
200 7ZE 0.9353
201 H5B 0.9350
202 IGA 0.9350
203 1P8 0.9350
204 3QV 0.9350
205 CTS 0.9349
206 KJU 0.9348
207 B57 0.9347
208 JG8 0.9347
209 5CU 0.9347
210 BDP 0.9347
211 GJP 0.9345
212 94W 0.9340
213 4RU 0.9339
214 2ZQ 0.9339
215 LI6 0.9338
216 ZZ2 0.9336
217 KIA 0.9332
218 KIB 0.9332
219 SWA 0.9332
220 YH7 0.9331
221 IV2 0.9329
222 JXN 0.9328
223 ICO 0.9328
224 LCN 0.9327
225 4ME 0.9327
226 5RN 0.9327
227 DPZ 0.9326
228 1HN 0.9326
229 2AL 0.9326
230 SXS 0.9325
231 V55 0.9325
232 UFO 0.9324
233 7B3 0.9323
234 2ZM 0.9322
235 A29 0.9321
236 4XH 0.9321
237 Q88 0.9321
238 141 0.9320
239 0XT 0.9319
240 LDR 0.9318
241 2FY 0.9317
242 HQT 0.9317
243 3DM 0.9317
244 6NT 0.9314
245 DHQ 0.9314
246 39O 0.9312
247 8NX 0.9312
248 2LY 0.9310
249 HJP 0.9310
250 8ZE 0.9309
251 ES0 0.9307
252 3WA 0.9307
253 Q6T 0.9304
254 3ID 0.9303
255 LGC 0.9303
256 A2F 0.9301
257 BCU 0.9301
258 42C 0.9300
259 CFP 0.9300
260 8HC 0.9297
261 6AP 0.9297
262 AKH 0.9297
263 5NE 0.9294
264 Z5P 0.9294
265 680 0.9294
266 9CA 0.9293
267 069 0.9293
268 3NY 0.9292
269 RM1 0.9292
270 3IT 0.9292
271 1XM 0.9291
272 290 0.9291
273 G3F 0.9291
274 3MG 0.9290
275 DX4 0.9289
276 UNC 0.9288
277 12B 0.9287
278 X05 0.9287
279 JND 0.9286
280 MS9 0.9284
281 37T 0.9284
282 5WY 0.9284
283 NDH 0.9284
284 CH9 0.9284
285 9AP 0.9283
286 TTY 0.9282
287 209 0.9282
288 GLC 0.9282
289 0HO 0.9281
290 AZG 0.9281
291 1P7 0.9280
292 6NI 0.9280
293 5NI 0.9278
294 BOA 0.9278
295 PXL 0.9276
296 GCS 0.9276
297 NAG 0.9276
298 HH8 0.9275
299 JAE 0.9274
300 CTL 0.9273
301 0HN 0.9273
302 HH5 0.9273
303 DHK 0.9272
304 5XC 0.9272
305 ASO 0.9271
306 2HU 0.9270
307 B53 0.9270
308 CFF 0.9269
309 ABI 0.9267
310 GZL 0.9267
311 NGA 0.9266
312 6GU 0.9265
313 BZ3 0.9265
314 UAN 0.9265
315 4AA 0.9264
316 TH7 0.9264
317 EN1 0.9263
318 HKD 0.9262
319 344 0.9261
320 12T 0.9259
321 0FN 0.9259
322 ODO 0.9259
323 46P 0.9259
324 3MB 0.9258
325 BZX 0.9258
326 8MO 0.9258
327 ORO 0.9257
328 AA 0.9255
329 1F1 0.9255
330 H33 0.9254
331 KDV 0.9253
332 OVM 0.9253
333 G5V 0.9252
334 SKA 0.9252
335 4NC 0.9252
336 5OB 0.9252
337 1IT 0.9251
338 8W9 0.9251
339 I6G 0.9251
340 ZVO 0.9250
341 3A9 0.9249
342 X8D 0.9249
343 VXX 0.9249
344 CN0 0.9247
345 C2U 0.9246
346 1XN 0.9246
347 92P 0.9245
348 CWJ 0.9245
349 ST2 0.9245
350 3CU 0.9244
351 OXC 0.9244
352 GNL 0.9243
353 NSG 0.9243
354 14O 0.9242
355 5H1 0.9241
356 15N 0.9241
357 JBQ 0.9239
358 8S0 0.9238
359 M2K 0.9236
360 OA3 0.9236
361 SYV 0.9235
362 1KP 0.9232
363 SJ5 0.9232
364 C2Y 0.9230
365 VGD 0.9230
366 DMD 0.9230
367 SHA 0.9230
368 NOY 0.9230
369 F60 0.9229
370 0JD 0.9229
371 PRZ 0.9229
372 PX7 0.9228
373 N0Z 0.9227
374 FYU 0.9227
375 5MI 0.9227
376 94B 0.9226
377 M1A 0.9224
378 INO 0.9224
379 6RQ 0.9222
380 A13 0.9222
381 QPR 0.9221
382 5B1 0.9221
383 HMH 0.9221
384 LZM 0.9218
385 BK9 0.9218
386 ANF 0.9217
387 2K4 0.9216
388 42A 0.9215
389 ASC 0.9214
390 GCU 0.9214
391 XX2 0.9212
392 Q7A 0.9209
393 HA7 0.9206
394 TIY 0.9205
395 KYA 0.9205
396 C9E 0.9205
397 2F6 0.9205
398 K3Q 0.9204
399 IFL 0.9202
400 7VJ 0.9201
401 F0J 0.9200
402 WOO 0.9200
403 67N 0.9199
404 329 0.9199
405 4KL 0.9199
406 15L 0.9196
407 8H8 0.9196
408 5GU 0.9195
409 DHB 0.9194
410 QAS 0.9193
411 GAL 0.9192
412 6AI 0.9190
413 BZJ 0.9187
414 495 0.9187
415 7NI 0.9187
416 IPB 0.9187
417 E1T 0.9184
418 SOR 0.9184
419 MT0 0.9183
420 11S 0.9183
421 PDC 0.9183
422 JDN 0.9182
423 5MB 0.9182
424 TYL 0.9180
425 JUG 0.9179
426 GDE 0.9178
427 EV0 0.9178
428 KBG 0.9176
429 PJW 0.9175
430 GAB 0.9175
431 GM7 0.9174
432 GJS 0.9172
433 MT5 0.9172
434 LZ2 0.9171
435 BCP 0.9170
436 J6W 0.9170
437 DRG 0.9167
438 4HM 0.9167
439 M1E 0.9167
440 52C 0.9166
441 3FH 0.9166
442 KW8 0.9165
443 B56 0.9164
444 ABV 0.9164
445 GTQ 0.9162
446 JXW 0.9161
447 D1X 0.9161
448 NOJ 0.9160
449 J9Q 0.9159
450 GCB 0.9158
451 4A3 0.9157
452 PXM 0.9157
453 93K 0.9157
454 JU2 0.9156
455 MYJ 0.9156
456 DOR 0.9154
457 DIU 0.9154
458 MR1 0.9152
459 OW4 0.9151
460 FHB 0.9150
461 6BL 0.9150
462 JTH 0.9150
463 3HM 0.9147
464 27B 0.9147
465 THA 0.9147
466 ALL 0.9145
467 G2F 0.9145
468 GSY 0.9143
469 F05 0.9143
470 GDL 0.9142
471 8XL 0.9142
472 GZ8 0.9141
473 ES9 0.9141
474 OVV 0.9141
475 428 0.9141
476 H4N 0.9140
477 NNO 0.9139
478 173 0.9139
479 DEE 0.9139
480 2HO 0.9138
481 1A7 0.9137
482 6KT 0.9137
483 FK1 0.9135
484 HZQ 0.9134
485 G1O 0.9133
486 NDG 0.9132
487 1M2 0.9130
488 5NS 0.9128
489 GCW 0.9127
490 UEG 0.9127
491 5WX 0.9126
492 HNQ 0.9126
493 PFB 0.9126
494 E35 0.9125
495 QAT 0.9123
496 34D 0.9123
497 2BG 0.9123
498 GVG 0.9123
499 XIY 0.9123
500 2H5 0.9123
501 TEP 0.9121
502 0CU 0.9120
503 SVN 0.9118
504 X09 0.9117
505 AP4 0.9115
506 HBO 0.9114
507 EOL 0.9114
508 DNA 0.9114
509 P9P 0.9114
510 6M9 0.9112
511 5RG 0.9110
512 GTR 0.9110
513 4M4 0.9108
514 EUG 0.9108
515 54G 0.9106
516 AN3 0.9103
517 5M0 0.9102
518 AW5 0.9102
519 3NT 0.9102
520 8XQ 0.9102
521 QUZ 0.9101
522 APS 0.9100
523 ZZT 0.9100
524 4CS 0.9100
525 F9Y 0.9099
526 JXZ 0.9099
527 2GS 0.9099
528 EQT 0.9097
529 SHG 0.9095
530 2CK 0.9094
531 293 0.9092
532 JF2 0.9092
533 LSA 0.9092
534 1QP 0.9090
535 49O 0.9090
536 39A 0.9088
537 NSP 0.9088
538 SOE 0.9087
539 SKM 0.9086
540 LKA 0.9086
541 DIE 0.9085
542 PFL 0.9085
543 NPY 0.9084
544 K97 0.9084
545 DNF 0.9082
546 AFR 0.9082
547 JAW 0.9081
548 9TW 0.9080
549 CHB 0.9080
550 MWP 0.9080
551 EGR 0.9079
552 5WU 0.9078
553 ARP 0.9077
554 BTE 0.9077
555 LNR 0.9075
556 3J8 0.9074
557 FLV 0.9074
558 NGW 0.9074
559 NGT 0.9074
560 EVA 0.9074
561 R9Y 0.9074
562 TSS 0.9073
563 226 0.9070
564 QSB 0.9070
565 ESI 0.9070
566 BPY 0.9069
567 NMJ 0.9069
568 HPA 0.9069
569 E5X 0.9069
570 SLS 0.9068
571 82I 0.9067
572 2MI 0.9067
573 3HB 0.9066
574 68A 0.9064
575 NCT 0.9060
576 GYE 0.9059
577 9ZE 0.9056
578 ADA 0.9056
579 948 0.9054
580 G12 0.9053
581 8NY 0.9053
582 F12 0.9052
583 L22 0.9051
584 53C 0.9051
585 HMU 0.9051
586 3AB 0.9050
587 30G 0.9050
588 8GK 0.9048
589 AX7 0.9046
590 270 0.9046
591 G6D 0.9043
592 6F0 0.9043
593 SRO 0.9041
594 LYL 0.9041
595 LDP 0.9041
596 PHH 0.9039
597 3OC 0.9038
598 II6 0.9037
599 0RW 0.9036
600 N3W 0.9036
601 5HN 0.9035
602 9EW 0.9035
603 FBG 0.9035
604 PD2 0.9035
605 4VS 0.9035
606 97T 0.9035
607 QSH 0.9035
608 CK2 0.9034
609 SAL 0.9034
610 6M4 0.9034
611 HLR 0.9032
612 L99 0.9032
613 E7S 0.9032
614 GNM 0.9031
615 GHM 0.9031
616 5VL 0.9031
617 6M1 0.9030
618 5MK 0.9028
619 F2W 0.9026
620 GRE 0.9026
621 24B 0.9026
622 SX1 0.9024
623 EJZ 0.9024
624 5TY 0.9023
625 GOX 0.9023
626 ZZ8 0.9022
627 MAG 0.9020
628 ZXD 0.9018
629 XM0 0.9018
630 A2G 0.9014
631 6FZ 0.9013
632 KTJ 0.9010
633 QUS 0.9009
634 8OZ 0.9009
635 6CS 0.9008
636 JF1 0.9006
637 IFM 0.9006
638 091 0.9005
639 FBU 0.9005
640 M5N 0.9004
641 AX3 0.9004
642 BMA 0.9004
643 HA5 0.9004
644 HHT 0.9003
645 51R 0.9003
646 ISZ 0.9002
647 IHB 0.9002
648 PNZ 0.9002
649 ANN 0.9000
650 0F9 0.9000
651 L5V 0.8999
652 0GZ 0.8999
653 1DW 0.8998
654 GLF 0.8998
655 EKZ 0.8998
656 JYB 0.8997
657 WCE 0.8997
658 FGZ 0.8997
659 JKE 0.8996
660 CFI 0.8994
661 HDH 0.8993
662 AS3 0.8993
663 DBX 0.8993
664 F69 0.8991
665 W81 0.8991
666 4XV 0.8990
667 HQJ 0.8990
668 FBT 0.8990
669 F31 0.8989
670 YQA 0.8988
671 1WG 0.8987
672 537 0.8984
673 3BZ 0.8984
674 23J 0.8984
675 SWD 0.8983
676 NTZ 0.8983
677 ESP 0.8982
678 GLT 0.8981
679 BRT 0.8980
680 3U4 0.8979
681 7WR 0.8978
682 4V2 0.8976
683 GLA 0.8976
684 BE2 0.8975
685 PA1 0.8975
686 BHO 0.8975
687 6QF 0.8974
688 10L 0.8974
689 ADE 0.8974
690 PAB 0.8974
691 J01 0.8973
692 DGJ 0.8973
693 HXX 0.8973
694 PHB 0.8971
695 M4E 0.8970
696 H7Y 0.8970
697 GTZ 0.8969
698 HLD 0.8968
699 QWN 0.8968
700 IFP 0.8968
701 4I8 0.8968
702 NPO 0.8967
703 25W 0.8966
704 XXR 0.8966
705 1WC 0.8966
706 23A 0.8965
707 V1T 0.8964
708 327 0.8964
709 TVP 0.8964
710 MNM 0.8963
711 HIS 0.8963
712 F1A 0.8962
713 F4E 0.8962
714 BZ2 0.8962
715 K22 0.8960
716 BSX 0.8960
717 4P5 0.8960
718 NVU 0.8960
719 0W1 0.8959
720 J9N 0.8959
721 EYK 0.8958
722 9TZ 0.8957
723 WSD 0.8957
724 261 0.8956
725 HX3 0.8955
726 4AN 0.8954
727 F9P 0.8954
728 EMZ 0.8954
729 EDR 0.8953
730 28N 0.8953
731 X0W 0.8953
732 QXW 0.8953
733 IWT 0.8953
734 RPQ 0.8953
735 PQK 0.8952
736 7HP 0.8952
737 PHE 0.8952
738 18N 0.8951
739 X0U 0.8951
740 QX2 0.8949
741 JBE 0.8949
742 FH2 0.8949
743 GCV 0.8949
744 4BY 0.8948
745 JKZ 0.8947
746 DNC 0.8946
747 CKA 0.8945
748 7WA 0.8943
749 XQG 0.8943
750 QWW 0.8943
751 K32 0.8942
752 PBA 0.8942
753 4BL 0.8941
754 AHR 0.8941
755 ES6 0.8940
756 UNJ 0.8939
757 4V6 0.8939
758 BP1 0.8939
759 ONR 0.8939
760 HTP 0.8939
761 6MP 0.8938
762 G4D 0.8938
763 X0V 0.8938
764 MAN 0.8937
765 3GQ 0.8936
766 NGO 0.8936
767 H62 0.8936
768 AZF 0.8935
769 2CQ 0.8931
770 B2J 0.8930
771 GAF 0.8928
772 OQC 0.8928
773 8G0 0.8926
774 4SV 0.8926
775 XDE 0.8925
776 A7H 0.8924
777 BBK 0.8924
778 JR2 0.8924
779 GF4 0.8924
780 9DA 0.8923
781 GTL 0.8923
782 150 0.8922
783 N2Z 0.8922
784 OXZ 0.8922
785 4BZ 0.8921
786 3ZB 0.8920
787 FBM 0.8920
788 1GN 0.8919
789 XYP 0.8918
790 8GC 0.8918
791 OW7 0.8917
792 FDK 0.8917
793 ESX 0.8917
794 DMJ 0.8917
795 2ZV 0.8915
796 ICB 0.8915
797 RAM 0.8915
798 XQI 0.8915
799 2MN 0.8913
800 X6X 0.8913
801 3BU 0.8912
802 0LH 0.8912
803 1WD 0.8910
804 KOJ 0.8909
805 SMN 0.8908
806 149 0.8907
807 GIV 0.8907
808 2FG 0.8906
809 67X 0.8906
810 OTR 0.8906
811 NIZ 0.8906
812 LAO 0.8905
813 3R6 0.8904
814 PHU 0.8904
815 3RK 0.8903
816 ZB1 0.8903
817 7FF 0.8902
818 4XS 0.8902
819 7WV 0.8900
820 TAG 0.8900
821 F6P 0.8900
822 ZZ3 0.8900
823 SVD 0.8900
824 7MX 0.8900
825 IF7 0.8898
826 RMN 0.8898
827 YSO 0.8898
828 9RW 0.8896
829 ISE 0.8895
830 K17 0.8894
831 60Q 0.8892
832 PBZ 0.8892
833 VNJ 0.8892
834 9HX 0.8890
835 MVL 0.8890
836 MBG 0.8888
837 MHK 0.8887
838 1X7 0.8887
839 8VE 0.8885
840 45C 0.8884
841 9FE 0.8884
842 A65 0.8884
843 YIO 0.8883
844 4ZA 0.8882
845 IOS 0.8882
846 ZWZ 0.8882
847 FB1 0.8882
848 S76 0.8881
849 6E8 0.8880
850 EXD 0.8880
851 BM3 0.8879
852 DPT 0.8878
853 2A7 0.8878
854 549 0.8877
855 GV9 0.8877
856 UFV 0.8877
857 6LW 0.8876
858 HNT 0.8876
859 IAC 0.8876
860 LXC 0.8876
861 4SX 0.8875
862 1XA 0.8875
863 XCZ 0.8874
864 K2P 0.8874
865 JRB 0.8872
866 SRT 0.8871
867 AEZ 0.8871
868 P72 0.8871
869 KTA 0.8870
870 K37 0.8869
871 F5B 0.8869
872 GIO 0.8869
873 INS 0.8869
874 PHT 0.8868
875 1U6 0.8868
876 FBW 0.8867
877 LT8 0.8867
878 H6B 0.8867
879 QQQ 0.8866
880 64C 0.8866
881 F81 0.8865
882 K6X 0.8863
883 MAJ 0.8863
884 M1Z 0.8863
885 RAT 0.8861
886 4XR 0.8861
887 06B 0.8860
888 O2A 0.8860
889 MQG 0.8860
890 BDF 0.8860
891 TBS 0.8860
892 TC7 0.8858
893 7MK 0.8857
894 BSP 0.8856
895 KIF 0.8856
896 EXO 0.8856
897 FP1 0.8856
898 BNT 0.8856
899 4WL 0.8855
900 MIG 0.8855
901 KJ5 0.8854
902 RUY 0.8854
903 3Z7 0.8853
904 FUD 0.8853
905 826 0.8852
906 HBD 0.8852
907 GXL 0.8852
908 GT0 0.8852
909 NTM 0.8852
910 MXN 0.8851
911 GCO 0.8851
912 ST3 0.8850
913 NLA 0.8850
914 5VJ 0.8850
915 FCR 0.8850
916 GOG 0.8849
917 K44 0.8848
918 I3E 0.8847
919 R20 0.8847
920 MSR 0.8847
921 1Y6 0.8846
922 RZH 0.8846
923 PM6 0.8845
924 GIM 0.8842
925 7VP 0.8842
926 5LA 0.8841
927 1Z6 0.8841
928 AY4 0.8840
929 OVP 0.8839
930 TXW 0.8839
931 OMD 0.8839
932 86L 0.8838
933 GO8 0.8837
934 BPN 0.8837
935 9PY 0.8835
936 GYP 0.8835
937 P3K 0.8834
938 JA8 0.8833
939 RH1 0.8832
940 E1K 0.8832
941 YRL 0.8832
942 MOK 0.8830
943 N7I 0.8830
944 FA3 0.8830
945 LZB 0.8827
946 GLY PRO 0.8826
947 3R4 0.8825
948 AMH 0.8825
949 Z82 0.8825
950 XXP 0.8823
951 4MA 0.8822
952 ES4 0.8822
953 SG2 0.8822
954 ANC 0.8821
955 BA5 0.8820
956 P92 0.8820
957 9KH 0.8820
958 RNS 0.8819
959 SNO 0.8818
960 KMY 0.8818
961 WS7 0.8817
962 UQ 0.8816
963 FBV 0.8815
964 KLW 0.8814
965 6FB 0.8814
966 SNU 0.8813
967 FUL 0.8812
968 AC6 0.8811
969 XM5 0.8810
970 4NM 0.8809
971 A5E 0.8808
972 TZF 0.8808
973 1AL 0.8808
974 4P0 0.8808
975 BHQ 0.8807
976 Q02 0.8807
977 1P3 0.8807
978 1PT 0.8807
979 APG 0.8806
980 4FA 0.8806
981 7D2 0.8805
982 L46 0.8804
983 717 0.8804
984 QIC 0.8804
985 DDU 0.8802
986 DA4 0.8802
987 FA1 0.8800
988 1L5 0.8798
989 RHU 0.8797
990 6XI 0.8796
991 BZE 0.8796
992 X11 0.8794
993 S24 0.8794
994 4NB 0.8793
995 OTD 0.8793
996 3AL 0.8791
997 DQN 0.8789
998 8NB 0.8788
999 E7R 0.8788
1000 JB8 0.8787
1001 F4Z 0.8785
1002 L7T 0.8783
1003 6OT 0.8783
1004 TSR 0.8783
1005 0BP 0.8783
1006 SLC 0.8782
1007 KGK 0.8781
1008 9UL 0.8780
1009 HC4 0.8780
1010 174 0.8778
1011 BIK 0.8778
1012 PZM 0.8778
1013 CFA 0.8778
1014 AAS 0.8777
1015 4FH 0.8777
1016 MPK 0.8777
1017 SW7 0.8775
1018 IBM 0.8775
1019 MMA 0.8775
1020 363 0.8772
1021 S0E 0.8772
1022 M3H 0.8771
1023 JF6 0.8771
1024 H4E 0.8769
1025 K82 0.8768
1026 IUP 0.8768
1027 6X9 0.8767
1028 ADK 0.8767
1029 JLZ 0.8767
1030 DHY 0.8765
1031 SR4 0.8765
1032 LQ2 0.8764
1033 GTC 0.8764
1034 AMG 0.8763
1035 BCF 0.8760
1036 2HC 0.8760
1037 54X 0.8760
1038 FRU 0.8760
1039 TH0 0.8759
1040 PYD 0.8757
1041 PIY 0.8757
1042 MT8 0.8756
1043 HFB 0.8755
1044 57O 0.8755
1045 MNS 0.8754
1046 DHR 0.8754
1047 BNL 0.8754
1048 JBZ 0.8753
1049 IBF 0.8752
1050 XYD 0.8752
1051 M4S 0.8752
1052 L14 0.8752
1053 MPV 0.8751
1054 FHC 0.8751
1055 HX4 0.8751
1056 WBU 0.8749
1057 259 0.8748
1058 3MA 0.8748
1059 URF 0.8748
1060 RM4 0.8748
1061 ALE 0.8747
1062 BBF 0.8746
1063 5MH 0.8745
1064 CIP 0.8745
1065 DQA 0.8744
1066 S60 0.8743
1067 3Y7 0.8743
1068 KP6 0.8743
1069 DK1 0.8742
1070 5GV 0.8742
1071 CPZ 0.8741
1072 JP2 0.8740
1073 QBM 0.8740
1074 SBK 0.8737
1075 KTW 0.8737
1076 FCB 0.8737
1077 XQK 0.8736
1078 MD6 0.8736
1079 R2P 0.8736
1080 9LI 0.8735
1081 54Z 0.8732
1082 6TZ 0.8732
1083 DFB 0.8732
1084 XXG 0.8731
1085 3RI 0.8731
1086 HBA 0.8729
1087 JFD 0.8728
1088 MZB 0.8728
1089 9BF 0.8727
1090 K25 0.8726
1091 AIN 0.8726
1092 TSU 0.8726
1093 582 0.8724
1094 BGU 0.8724
1095 95Z 0.8722
1096 5UC 0.8720
1097 RNO 0.8720
1098 SAN 0.8718
1099 FA6 0.8717
1100 SF9 0.8716
1101 ALA PRO 0.8715
1102 PBC 0.8713
1103 TIU 0.8713
1104 K5W 0.8712
1105 2O6 0.8712
1106 2JK 0.8711
1107 61M 0.8711
1108 JZ2 0.8710
1109 ICP 0.8710
1110 DEN 0.8709
1111 2C2 0.8709
1112 HRM 0.8709
1113 2LP 0.8708
1114 39U 0.8708
1115 7I2 0.8706
1116 FSW 0.8706
1117 3SK 0.8706
1118 HIO 0.8705
1119 KBB 0.8700
1120 505 0.8699
1121 M6Z 0.8698
1122 GO2 0.8698
1123 PIM 0.8697
1124 R6T 0.8696
1125 0J5 0.8696
1126 2LB 0.8696
1127 6PC 0.8696
1128 TDR 0.8694
1129 BEZ 0.8694
1130 692 0.8694
1131 SYA 0.8693
1132 36E 0.8693
1133 4VY 0.8692
1134 E3D 0.8691
1135 JYT 0.8691
1136 K34 0.8691
1137 R9S 0.8691
1138 MCT 0.8690
1139 4JJ 0.8690
1140 MUR 0.8690
1141 PZI 0.8690
1142 SN4 0.8686
1143 OAA 0.8686
1144 IUR 0.8685
1145 FHN 0.8684
1146 NK 0.8683
1147 61O 0.8683
1148 IDM 0.8682
1149 1MC 0.8681
1150 JXK 0.8681
1151 D3G 0.8681
1152 NIO 0.8681
1153 XYS 0.8681
1154 4CL 0.8680
1155 MA3 0.8680
1156 JIF 0.8678
1157 6DP 0.8677
1158 PCI 0.8676
1159 ZSP 0.8676
1160 BIO 0.8675
1161 AC0 0.8675
1162 DHC 0.8675
1163 AC2 0.8674
1164 SKF 0.8671
1165 GIF 0.8670
1166 VC2 0.8668
1167 5CL 0.8667
1168 XBZ 0.8667
1169 4JO 0.8665
1170 2AC 0.8664
1171 NBZ 0.8663
1172 3TJ 0.8662
1173 34A 0.8662
1174 M3S 0.8661
1175 6R8 0.8659
1176 FAN 0.8659
1177 R8S 0.8658
1178 4HO 0.8656
1179 MZG 0.8656
1180 RIP 0.8656
1181 2MP 0.8655
1182 43M 0.8654
1183 4ZC 0.8654
1184 GOO 0.8652
1185 P9E 0.8652
1186 T6C 0.8652
1187 BEN 0.8652
1188 27Y 0.8651
1189 795 0.8650
1190 DFU 0.8647
1191 FIX 0.8647
1192 FUC 0.8647
1193 0R0 0.8647
1194 4VP 0.8646
1195 MS0 0.8646
1196 I1N 0.8645
1197 JZ3 0.8644
1198 42J 0.8641
1199 CIY 0.8641
1200 H8N 0.8639
1201 BR9 0.8635
1202 4ZE 0.8634
1203 MWJ 0.8634
1204 IND 0.8634
1205 FBS 0.8633
1206 YCP 0.8633
1207 MFB 0.8632
1208 EUE 0.8631
1209 FLC 0.8631
1210 HBI 0.8630
1211 TFU 0.8630
1212 QMP 0.8630
1213 0FR 0.8630
1214 F3B 0.8627
1215 MWM 0.8627
1216 AEF 0.8627
1217 4J8 0.8627
1218 ZEC 0.8626
1219 EV3 0.8626
1220 H2B 0.8624
1221 W8G 0.8624
1222 2D3 0.8624
1223 4A5 0.8623
1224 LZ1 0.8623
1225 4NO 0.8620
1226 0R1 0.8619
1227 QMS 0.8618
1228 QOS 0.8617
1229 NCA 0.8617
1230 N1E 0.8617
1231 MPI 0.8616
1232 BZF 0.8615
1233 2PG 0.8615
1234 GVH 0.8614
1235 BAM 0.8614
1236 7MH 0.8613
1237 3XX 0.8612
1238 RSF 0.8612
1239 DUR 0.8611
1240 FUF 0.8611
1241 7N0 0.8609
1242 L1O 0.8608
1243 JFJ 0.8607
1244 A1U 0.8606
1245 36Y 0.8606
1246 IDH 0.8606
1247 C8O 0.8606
1248 GAG 0.8605
1249 AH9 0.8604
1250 CCV 0.8603
1251 S7J 0.8603
1252 AL0 0.8603
1253 EVF 0.8602
1254 2BX 0.8600
1255 878 0.8599
1256 64E 0.8599
1257 QIV 0.8598
1258 BZI 0.8594
1259 FTV 0.8594
1260 5JC 0.8592
1261 0MK 0.8590
1262 M78 0.8589
1263 QNA 0.8588
1264 NHG 0.8585
1265 2YU 0.8583
1266 4JP 0.8582
1267 VM1 0.8579
1268 OGA 0.8578
1269 AMS 0.8577
1270 PZA 0.8575
1271 1Z8 0.8575
1272 VGL 0.8574
1273 TPA 0.8574
1274 AGK 0.8574
1275 UNU 0.8573
1276 2TQ 0.8569
1277 XUL 0.8569
1278 CIT 0.8568
1279 KYD 0.8564
1280 ARB 0.8563
1281 MXX 0.8554
1282 OXQ 0.8551
1283 GLU 0.8548
1284 H05 0.8548
1285 OK7 0.8546
1286 PAC 0.8545
1287 CSN 0.8542
1288 MFU 0.8540
1289 FPY 0.8539
1290 MQB 0.8539
1291 JZ4 0.8537
1292 5XB 0.8531
1293 3XR 0.8531
1294 5GT 0.8530
1295 TYR 0.8528
1296 RA7 0.8528
1297 1VK 0.8524
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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