Receptor
PDB id Resolution Class Description Source Keywords
3TYC 2.3 Å EC: 2.5.1.15 DIHYDROPTEROATE SYNTHASE IN COMPLEX WITH DHP+ BACILLUS ANTHRACIS ANTHRACIS FOLATE BIOSYNTHESIS DIHYDROPTEROATE PTERINE TITRANSFERASE
Ref.: CATALYSIS AND SULFA DRUG RESISTANCE IN DIHYDROPTERO SYNTHASE. SCIENCE V. 335 1110 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:801;
A:803;
A:804;
A:810;
A:811;
A:812;
B:802;
B:805;
B:806;
B:807;
B:808;
B:809;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
XHP A:701;
B:702;
Valid;
Valid;
none;
none;
submit data
177.163 C7 H7 N5 O C=C1C...
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: XHP; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 XHP 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: XHP; Similar ligands found: 1145
No: Ligand Similarity coefficient
1 44W 1.0000
2 DQU 1.0000
3 OTW 1.0000
4 0FO 1.0000
5 B62 1.0000
6 MVN 0.9981
7 QX4 0.9981
8 6ME 0.9947
9 44V 0.9930
10 PH2 0.9910
11 QBK 0.9850
12 PE0 0.9812
13 AQO 0.9793
14 AJ2 0.9785
15 XAZ 0.9784
16 0P6 0.9776
17 MEW 0.9767
18 J9W 0.9765
19 2FQ 0.9765
20 KUF 0.9761
21 M6N 0.9760
22 Q24 0.9758
23 PRF 0.9758
24 URC 0.9757
25 MUA 0.9754
26 AZ8 0.9749
27 HHR 0.9746
28 4JQ 0.9745
29 M5K 0.9743
30 8CM 0.9742
31 CWS 0.9742
32 4HC 0.9733
33 MQN 0.9726
34 M1Q 0.9725
35 0TU 0.9710
36 CLZ 0.9707
37 2AK 0.9705
38 4YO 0.9678
39 BTY 0.9671
40 FDR 0.9649
41 B55 0.9647
42 DRL 0.9643
43 9R5 0.9638
44 INE 0.9635
45 0N7 0.9625
46 KT7 0.9624
47 8TX 0.9622
48 75K 0.9617
49 86J 0.9612
50 6VD 0.9604
51 AJV 0.9602
52 BEA 0.9595
53 NID 0.9589
54 2HQ 0.9588
55 NQ 0.9588
56 5JQ 0.9581
57 B60 0.9580
58 3Z8 0.9579
59 MAQ 0.9577
60 MO8 0.9572
61 N8Y 0.9572
62 APZ 0.9571
63 RXA 0.9569
64 VK3 0.9569
65 HQD 0.9568
66 20J 0.9568
67 AZ9 0.9567
68 PQ0 0.9560
69 FDB 0.9549
70 COU 0.9537
71 PYQ 0.9536
72 B5D 0.9535
73 5JL 0.9533
74 OCH 0.9530
75 Q71 0.9523
76 5QY 0.9514
77 FBB 0.9512
78 G3E 0.9510
79 BGC 0.9510
80 2K8 0.9504
81 D07 0.9503
82 K2T 0.9503
83 AZA 0.9500
84 8IG 0.9498
85 E7Z 0.9496
86 9DG 0.9496
87 H42 0.9495
88 ES5 0.9493
89 TGX 0.9490
90 4ME 0.9490
91 4FS 0.9486
92 2AQ 0.9485
93 SE2 0.9485
94 2D0 0.9482
95 4MU 0.9481
96 ROI 0.9479
97 03V 0.9478
98 4TU 0.9477
99 JB5 0.9475
100 GUN 0.9473
101 Q77 0.9472
102 XAN 0.9464
103 141 0.9456
104 TWO 0.9450
105 TTL 0.9450
106 XQ0 0.9448
107 D48 0.9447
108 ZYR 0.9446
109 A2F 0.9444
110 UFO 0.9441
111 92K 0.9440
112 12Q 0.9440
113 IGA 0.9439
114 9MG 0.9438
115 J5I 0.9434
116 ISN 0.9434
117 15E 0.9432
118 4Z4 0.9431
119 DIN 0.9431
120 GXY 0.9430
121 1SQ 0.9430
122 3PF 0.9427
123 GCS 0.9427
124 3HA 0.9424
125 MRW 0.9423
126 4M0 0.9423
127 24W 0.9422
128 2KA 0.9421
129 8WO 0.9421
130 M1H 0.9421
131 DX3 0.9420
132 KJH 0.9415
133 BDP 0.9415
134 2EC 0.9414
135 CFP 0.9411
136 FA0 0.9410
137 EA1 0.9408
138 B53 0.9408
139 AJY 0.9405
140 DOB 0.9405
141 G3F 0.9405
142 7W1 0.9404
143 4YS 0.9402
144 HHS 0.9402
145 9KT 0.9402
146 A7W 0.9401
147 ADZ 0.9401
148 ES1 0.9400
149 TOF 0.9399
150 1NP 0.9397
151 BPU 0.9397
152 5Q0 0.9397
153 KKN 0.9396
154 DPZ 0.9395
155 YH7 0.9395
156 5QX 0.9393
157 7VS 0.9391
158 DX4 0.9391
159 H5B 0.9389
160 JG8 0.9388
161 JBH 0.9387
162 ZZZ 0.9387
163 1LM 0.9386
164 3F0 0.9385
165 3QV 0.9383
166 UNC 0.9383
167 BHA 0.9382
168 DBH 0.9381
169 5IQ 0.9380
170 M0W 0.9379
171 5RO 0.9378
172 5SG 0.9377
173 5WV 0.9376
174 BOA 0.9376
175 JPZ 0.9375
176 M0Q 0.9375
177 PEY 0.9374
178 HQT 0.9374
179 KJY 0.9374
180 JBK 0.9373
181 1LQ 0.9370
182 5NE 0.9368
183 7W4 0.9367
184 5CU 0.9367
185 7B4 0.9367
186 ES7 0.9366
187 FE DB1 0.9365
188 R8V 0.9364
189 RM1 0.9362
190 HQY 0.9361
191 2ZQ 0.9360
192 TT4 0.9360
193 GLC 0.9360
194 3M0 0.9358
195 GJP 0.9357
196 LDR 0.9357
197 O72 0.9357
198 CTL 0.9353
199 8S0 0.9352
200 7B3 0.9351
201 N5J 0.9351
202 7ZE 0.9350
203 LI6 0.9350
204 32X 0.9350
205 I3A 0.9350
206 0W8 0.9350
207 6AP 0.9349
208 NDM 0.9348
209 J9T 0.9347
210 N2I 0.9346
211 CH9 0.9344
212 IV2 0.9341
213 ET2 0.9341
214 1XM 0.9341
215 HJP 0.9340
216 36R 0.9339
217 8NX 0.9339
218 FOT 0.9339
219 8WT 0.9338
220 6GU 0.9338
221 M2K 0.9338
222 1HN 0.9337
223 290 0.9336
224 PXL 0.9336
225 0FK 0.9335
226 CWM 0.9335
227 VNL 0.9335
228 344 0.9333
229 94W 0.9331
230 KIB 0.9331
231 8MO 0.9329
232 7MU 0.9327
233 5NU 0.9325
234 1P7 0.9325
235 AZG 0.9324
236 3DM 0.9324
237 4RU 0.9323
238 7ME 0.9323
239 42C 0.9322
240 CLW 0.9322
241 B57 0.9321
242 6NT 0.9320
243 5WY 0.9319
244 Z5P 0.9318
245 2LY 0.9317
246 5VM 0.9317
247 7NI 0.9317
248 HLZ 0.9313
249 9FL 0.9312
250 39O 0.9311
251 KIA 0.9311
252 BCP 0.9311
253 9AP 0.9310
254 209 0.9310
255 VGD 0.9310
256 0XT 0.9307
257 ES0 0.9306
258 Q6T 0.9304
259 8HC 0.9303
260 4XH 0.9301
261 3IT 0.9300
262 37T 0.9297
263 ZVO 0.9297
264 IJZ 0.9296
265 ES2 0.9296
266 ICO 0.9296
267 A29 0.9294
268 12T 0.9294
269 KJU 0.9294
270 7HQ 0.9292
271 5OB 0.9291
272 X8D 0.9290
273 3ID 0.9289
274 CFF 0.9288
275 4JT 0.9286
276 680 0.9286
277 5RN 0.9286
278 TTY 0.9285
279 8ZE 0.9284
280 2A9 0.9282
281 VXX 0.9282
282 1P8 0.9281
283 HH8 0.9281
284 0CU 0.9277
285 HH5 0.9275
286 QPR 0.9274
287 0HN 0.9273
288 HMH 0.9273
289 DHQ 0.9272
290 HHA 0.9270
291 2FY 0.9269
292 Q88 0.9269
293 H33 0.9268
294 KDV 0.9268
295 UAN 0.9266
296 AA 0.9265
297 MS9 0.9263
298 12B 0.9263
299 2AL 0.9263
300 JBQ 0.9262
301 NDH 0.9261
302 KYA 0.9260
303 0HO 0.9259
304 2HU 0.9256
305 LT2 0.9254
306 3NY 0.9253
307 LZM 0.9253
308 0FN 0.9253
309 2ZM 0.9251
310 N0Z 0.9250
311 SKA 0.9250
312 3MB 0.9249
313 V55 0.9247
314 5NI 0.9244
315 CWJ 0.9244
316 Q7A 0.9244
317 4M4 0.9244
318 92P 0.9243
319 6NI 0.9242
320 OVM 0.9242
321 C2Y 0.9242
322 BZ3 0.9242
323 8W9 0.9242
324 0JD 0.9242
325 9CA 0.9241
326 DNA 0.9240
327 TIY 0.9238
328 HKD 0.9238
329 B56 0.9230
330 ORO 0.9229
331 8H8 0.9229
332 4AA 0.9228
333 ANF 0.9228
334 ABI 0.9228
335 069 0.9227
336 1IT 0.9226
337 15N 0.9226
338 3WA 0.9222
339 NOJ 0.9222
340 3A9 0.9218
341 DRG 0.9218
342 M1E 0.9217
343 1F1 0.9216
344 1KP 0.9216
345 BZJ 0.9216
346 BZX 0.9216
347 DMD 0.9215
348 NAG 0.9215
349 GAL 0.9215
350 GDE 0.9214
351 JAE 0.9213
352 PX7 0.9212
353 1XN 0.9211
354 PXM 0.9211
355 F0J 0.9210
356 M1A 0.9210
357 AKH 0.9209
358 6RQ 0.9209
359 4NC 0.9209
360 4KL 0.9209
361 GJS 0.9208
362 15L 0.9205
363 7VJ 0.9205
364 GZL 0.9203
365 ODO 0.9202
366 GM7 0.9201
367 I6G 0.9201
368 42A 0.9198
369 67N 0.9194
370 TEP 0.9194
371 PRZ 0.9194
372 SYV 0.9193
373 OXC 0.9192
374 DBJ 0.9190
375 EN1 0.9188
376 PDC 0.9188
377 E7S 0.9185
378 5XC 0.9182
379 DHB 0.9182
380 8XL 0.9181
381 SXS 0.9180
382 27B 0.9180
383 XX2 0.9178
384 JU2 0.9177
385 C2U 0.9176
386 14O 0.9175
387 MT0 0.9175
388 INO 0.9175
389 6BL 0.9174
390 E1T 0.9173
391 FYU 0.9172
392 5B1 0.9172
393 5H1 0.9171
394 4A3 0.9171
395 5NS 0.9170
396 TH7 0.9169
397 BCU 0.9167
398 EQT 0.9167
399 173 0.9165
400 GZ8 0.9164
401 52C 0.9164
402 G5V 0.9163
403 495 0.9163
404 5MI 0.9163
405 3HM 0.9163
406 JDN 0.9162
407 5GU 0.9162
408 5WX 0.9162
409 GVG 0.9161
410 QAS 0.9160
411 OA3 0.9158
412 HIS 0.9158
413 MYJ 0.9156
414 NNO 0.9156
415 2F6 0.9156
416 BK9 0.9155
417 6M9 0.9154
418 MR1 0.9154
419 FHB 0.9153
420 THA 0.9151
421 CTS 0.9150
422 C9E 0.9148
423 F60 0.9147
424 93K 0.9147
425 JUG 0.9146
426 2HO 0.9146
427 5MB 0.9146
428 4VS 0.9145
429 3NT 0.9143
430 QAT 0.9141
431 NSP 0.9141
432 2K4 0.9137
433 J6W 0.9137
434 G1O 0.9136
435 ES9 0.9132
436 GAB 0.9131
437 PFB 0.9131
438 6AI 0.9129
439 5RG 0.9129
440 TYL 0.9128
441 FK1 0.9127
442 GCU 0.9126
443 FLV 0.9125
444 4CS 0.9124
445 11S 0.9123
446 SHG 0.9121
447 DHK 0.9119
448 HZQ 0.9116
449 BPY 0.9116
450 5VL 0.9116
451 F9Y 0.9111
452 QUZ 0.9111
453 SVN 0.9111
454 9ZE 0.9111
455 ABV 0.9110
456 H4N 0.9110
457 JTH 0.9110
458 68A 0.9108
459 PJW 0.9108
460 3HB 0.9104
461 XIY 0.9104
462 GTQ 0.9102
463 AN3 0.9101
464 G6D 0.9101
465 MWP 0.9100
466 HMU 0.9100
467 LGC 0.9099
468 34D 0.9098
469 P9P 0.9098
470 30G 0.9098
471 VOH 0.9096
472 3J8 0.9095
473 6CS 0.9095
474 LSA 0.9093
475 JND 0.9091
476 UEG 0.9091
477 NDG 0.9091
478 SKM 0.9091
479 1M2 0.9090
480 L22 0.9089
481 NPY 0.9088
482 SRO 0.9084
483 F05 0.9084
484 0RW 0.9083
485 SOE 0.9083
486 HA7 0.9082
487 8XQ 0.9081
488 SLS 0.9080
489 2BG 0.9079
490 TSS 0.9078
491 6KT 0.9076
492 E5X 0.9076
493 DNF 0.9075
494 SYA 0.9074
495 JXN 0.9074
496 DOR 0.9074
497 8GC 0.9074
498 ESI 0.9073
499 CHB 0.9072
500 CK2 0.9071
501 DIU 0.9071
502 F12 0.9070
503 82I 0.9069
504 D1X 0.9066
505 EV0 0.9065
506 AW5 0.9064
507 226 0.9064
508 K3Q 0.9064
509 39A 0.9062
510 OVV 0.9062
511 9TW 0.9061
512 EJZ 0.9061
513 ZZT 0.9060
514 GNM 0.9059
515 GHM 0.9058
516 W81 0.9054
517 KTJ 0.9054
518 428 0.9053
519 IPB 0.9050
520 OW4 0.9050
521 NTZ 0.9050
522 LKA 0.9050
523 3FH 0.9049
524 3AB 0.9047
525 9EW 0.9047
526 SWA 0.9047
527 SOR 0.9045
528 3MG 0.9045
529 DEE 0.9044
530 YQA 0.9044
531 GRE 0.9044
532 5HN 0.9043
533 JYB 0.9043
534 HQJ 0.9042
535 J9Q 0.9042
536 24B 0.9042
537 HNQ 0.9041
538 7WR 0.9041
539 4V2 0.9041
540 WCE 0.9041
541 GTR 0.9041
542 54G 0.9040
543 F31 0.9040
544 XXR 0.9039
545 AX7 0.9038
546 5M0 0.9037
547 0F9 0.9037
548 6M4 0.9036
549 25W 0.9033
550 PHH 0.9032
551 JAW 0.9032
552 BTE 0.9032
553 2H5 0.9032
554 QSB 0.9030
555 HLD 0.9030
556 LZ2 0.9028
557 L5V 0.9028
558 6M1 0.9026
559 HPA 0.9025
560 HA5 0.9025
561 537 0.9024
562 1WG 0.9023
563 6QF 0.9022
564 EVA 0.9020
565 SWD 0.9018
566 HLR 0.9016
567 NGA 0.9016
568 R9Y 0.9016
569 18N 0.9014
570 FBG 0.9013
571 BRT 0.9012
572 ZZ8 0.9010
573 270 0.9010
574 G12 0.9009
575 XQG 0.9005
576 97T 0.9005
577 4BY 0.9004
578 K32 0.9002
579 V1T 0.9000
580 F2W 0.8999
581 1QP 0.8998
582 5TY 0.8998
583 8NY 0.8997
584 4BZ 0.8996
585 XYP 0.8996
586 HBO 0.8995
587 K97 0.8995
588 FGZ 0.8994
589 X05 0.8994
590 SAL 0.8994
591 NCT 0.8993
592 4BL 0.8992
593 ADE 0.8991
594 3BZ 0.8990
595 QSH 0.8988
596 AX3 0.8987
597 2MI 0.8985
598 X0W 0.8985
599 DNC 0.8985
600 EUG 0.8984
601 ASO 0.8984
602 PD2 0.8983
603 CKA 0.8983
604 53C 0.8983
605 PNZ 0.8982
606 ISZ 0.8981
607 7MX 0.8981
608 28N 0.8980
609 6MP 0.8979
610 ANN 0.8977
611 2CQ 0.8976
612 K22 0.8976
613 5WU 0.8975
614 10L 0.8975
615 BE2 0.8972
616 WOO 0.8970
617 JBE 0.8968
618 EOL 0.8967
619 UNJ 0.8967
620 BP1 0.8966
621 5MK 0.8965
622 BZ2 0.8965
623 8G0 0.8963
624 7WA 0.8963
625 AP4 0.8962
626 3DO 0.8961
627 4AN 0.8959
628 BHO 0.8959
629 JF2 0.8958
630 8OZ 0.8957
631 CFI 0.8957
632 HDH 0.8955
633 ALL 0.8955
634 M4E 0.8954
635 4SV 0.8953
636 SX1 0.8952
637 XM0 0.8952
638 QWN 0.8951
639 X09 0.8950
640 3ZB 0.8949
641 LDP 0.8949
642 0W1 0.8948
643 IHB 0.8948
644 KW8 0.8948
645 23A 0.8947
646 3U4 0.8947
647 N7I 0.8947
648 6F0 0.8946
649 M5N 0.8946
650 F1A 0.8945
651 APS 0.8945
652 9HX 0.8943
653 1A7 0.8942
654 9DA 0.8941
655 0GZ 0.8939
656 ONR 0.8937
657 E35 0.8936
658 ESP 0.8936
659 AHR 0.8936
660 SHA 0.8935
661 A13 0.8935
662 JXW 0.8935
663 2CK 0.8934
664 3GQ 0.8934
665 1DW 0.8933
666 QQQ 0.8933
667 K17 0.8933
668 091 0.8932
669 NMJ 0.8932
670 NIZ 0.8932
671 PHT 0.8931
672 NPO 0.8930
673 DBX 0.8929
674 JR2 0.8927
675 RMN 0.8926
676 APG 0.8926
677 MHK 0.8925
678 9TZ 0.8925
679 GYE 0.8925
680 OQC 0.8922
681 2ZV 0.8921
682 4XV 0.8919
683 ISE 0.8918
684 7HP 0.8917
685 4V6 0.8916
686 GIO 0.8916
687 4P5 0.8915
688 PHB 0.8914
689 293 0.8913
690 X0U 0.8912
691 GCB 0.8911
692 IWT 0.8910
693 ICB 0.8909
694 ES6 0.8907
695 6E8 0.8907
696 DPT 0.8906
697 3RK 0.8906
698 QX2 0.8904
699 EGR 0.8904
700 PAB 0.8904
701 GLA 0.8904
702 GF4 0.8904
703 TBS 0.8903
704 MVL 0.8903
705 G2F 0.8903
706 MOK 0.8902
707 I3E 0.8902
708 K82 0.8902
709 WSD 0.8901
710 NSG 0.8899
711 NTM 0.8896
712 EXD 0.8895
713 HX3 0.8894
714 4I8 0.8893
715 150 0.8892
716 PHE 0.8892
717 ASC 0.8890
718 261 0.8890
719 E1K 0.8889
720 ES4 0.8889
721 A2G 0.8889
722 4XR 0.8889
723 549 0.8888
724 ANC 0.8887
725 OW7 0.8885
726 MSR 0.8885
727 JKE 0.8884
728 GV9 0.8883
729 329 0.8882
730 7WV 0.8881
731 BMA 0.8881
732 NVU 0.8880
733 YSO 0.8879
734 ARP 0.8878
735 9UL 0.8878
736 54X 0.8878
737 QWW 0.8877
738 S76 0.8877
739 MAN 0.8876
740 149 0.8876
741 EXO 0.8875
742 GDL 0.8874
743 5VJ 0.8874
744 PM6 0.8874
745 IFP 0.8873
746 4HM 0.8873
747 JF1 0.8871
748 J9N 0.8869
749 ESX 0.8869
750 IFL 0.8869
751 AY4 0.8868
752 64C 0.8866
753 2GS 0.8866
754 K37 0.8865
755 RPQ 0.8865
756 XXP 0.8864
757 F6P 0.8864
758 KJ5 0.8864
759 PHU 0.8863
760 QXW 0.8860
761 PFL 0.8860
762 IAC 0.8860
763 RAM 0.8860
764 F4Z 0.8859
765 A7H 0.8858
766 OVP 0.8858
767 6FZ 0.8856
768 HBD 0.8856
769 CN0 0.8854
770 F4E 0.8853
771 P72 0.8853
772 GOG 0.8852
773 BSP 0.8852
774 N3W 0.8852
775 F5B 0.8851
776 INS 0.8851
777 EYK 0.8850
778 3R4 0.8850
779 X0V 0.8850
780 9FE 0.8848
781 SG2 0.8848
782 6TZ 0.8847
783 F81 0.8845
784 GTZ 0.8843
785 ADK 0.8842
786 HHT 0.8841
787 6FB 0.8840
788 EKZ 0.8840
789 1X7 0.8840
790 TC7 0.8838
791 P3K 0.8838
792 DGJ 0.8838
793 FBU 0.8837
794 L99 0.8837
795 KOJ 0.8837
796 FUL 0.8836
797 PBZ 0.8833
798 4SX 0.8833
799 PBA 0.8832
800 NLA 0.8832
801 4WL 0.8831
802 4FA 0.8831
803 X11 0.8830
804 GIV 0.8830
805 PQK 0.8830
806 1WD 0.8829
807 1Y6 0.8829
808 K6X 0.8827
809 SNO 0.8827
810 7FF 0.8826
811 4ZA 0.8824
812 4XS 0.8823
813 NGO 0.8823
814 GOX 0.8822
815 45C 0.8821
816 J01 0.8821
817 67X 0.8820
818 OTD 0.8820
819 BA5 0.8819
820 GCV 0.8818
821 TXW 0.8817
822 AEZ 0.8817
823 TZF 0.8816
824 JXZ 0.8816
825 2HC 0.8816
826 SNU 0.8815
827 PYD 0.8813
828 Z82 0.8812
829 TH0 0.8812
830 4MA 0.8811
831 06B 0.8810
832 363 0.8810
833 1U6 0.8810
834 GAF 0.8809
835 P92 0.8806
836 M1Z 0.8805
837 3Z7 0.8805
838 1GN 0.8804
839 2FG 0.8804
840 61M 0.8804
841 LNR 0.8803
842 51R 0.8802
843 GCW 0.8801
844 A5E 0.8801
845 S60 0.8801
846 H7Y 0.8800
847 HNT 0.8800
848 NOY 0.8797
849 GT0 0.8797
850 DIE 0.8794
851 XDE 0.8794
852 BPN 0.8794
853 NGT 0.8793
854 FP1 0.8793
855 174 0.8793
856 KMY 0.8793
857 BHQ 0.8791
858 BGU 0.8791
859 MT8 0.8791
860 FBT 0.8788
861 XM5 0.8788
862 YRL 0.8787
863 BNT 0.8782
864 826 0.8781
865 NGW 0.8780
866 UFV 0.8779
867 SJ5 0.8778
868 4NB 0.8778
869 TIU 0.8778
870 948 0.8777
871 HTP 0.8777
872 FBM 0.8775
873 TPA 0.8775
874 KGK 0.8773
875 5LA 0.8772
876 JFD 0.8772
877 43M 0.8772
878 4JO 0.8770
879 H6B 0.8770
880 ZZ3 0.8768
881 FHC 0.8766
882 B2J 0.8766
883 JA8 0.8765
884 M6Z 0.8765
885 1WC 0.8763
886 L7T 0.8762
887 ADA 0.8762
888 39U 0.8762
889 TDR 0.8761
890 IBM 0.8761
891 49O 0.8760
892 JP2 0.8760
893 GO8 0.8760
894 URF 0.8760
895 0BP 0.8759
896 8GK 0.8759
897 MAJ 0.8758
898 1MC 0.8758
899 IBF 0.8757
900 3MA 0.8757
901 AC6 0.8757
902 GIM 0.8756
903 HFB 0.8756
904 1L5 0.8756
905 5UC 0.8755
906 KBB 0.8753
907 582 0.8753
908 MBG 0.8753
909 CPZ 0.8752
910 PIY 0.8752
911 EMZ 0.8750
912 LZB 0.8750
913 AIN 0.8750
914 4NM 0.8749
915 4FH 0.8747
916 MCT 0.8746
917 JKZ 0.8744
918 LYL 0.8744
919 DQN 0.8743
920 MNS 0.8742
921 K44 0.8742
922 BBF 0.8742
923 5MH 0.8742
924 7I2 0.8741
925 A65 0.8741
926 BCF 0.8740
927 R20 0.8740
928 FSW 0.8740
929 KBG 0.8739
930 3R6 0.8739
931 FBW 0.8739
932 KLW 0.8739
933 GTC 0.8737
934 XYD 0.8736
935 23J 0.8734
936 MD6 0.8733
937 IUR 0.8733
938 LQ2 0.8732
939 LT8 0.8731
940 JB8 0.8730
941 N2Z 0.8730
942 3OC 0.8730
943 H62 0.8730
944 TVP 0.8728
945 ICP 0.8728
946 HX4 0.8728
947 DK1 0.8727
948 MT5 0.8727
949 F69 0.8726
950 BBK 0.8725
951 R6T 0.8725
952 717 0.8725
953 GXL 0.8725
954 GO2 0.8723
955 XCZ 0.8722
956 Q02 0.8721
957 4HO 0.8721
958 OTR 0.8721
959 1AL 0.8720
960 1Z6 0.8720
961 RNO 0.8718
962 JZ3 0.8718
963 4ZC 0.8715
964 XBZ 0.8713
965 QIC 0.8713
966 K25 0.8712
967 8NB 0.8712
968 2O6 0.8712
969 X6X 0.8711
970 DEN 0.8710
971 GSY 0.8709
972 6OT 0.8708
973 MNM 0.8708
974 FUD 0.8707
975 DFB 0.8707
976 9PY 0.8706
977 IND 0.8706
978 MPV 0.8705
979 JZ2 0.8705
980 259 0.8705
981 MZB 0.8705
982 OMD 0.8704
983 IUP 0.8704
984 DHR 0.8703
985 BZI 0.8703
986 2JK 0.8702
987 2AC 0.8701
988 S0E 0.8700
989 WBU 0.8700
990 WS7 0.8699
991 SKF 0.8699
992 60Q 0.8697
993 SW7 0.8696
994 MAG 0.8696
995 SN4 0.8696
996 KTW 0.8695
997 1P3 0.8695
998 ZXD 0.8692
999 4JJ 0.8691
1000 2MP 0.8691
1001 LAO 0.8690
1002 GTL 0.8688
1003 4NO 0.8688
1004 36E 0.8688
1005 FB1 0.8687
1006 GNV 0.8686
1007 34A 0.8685
1008 BZF 0.8685
1009 RZH 0.8681
1010 PIM 0.8680
1011 L46 0.8678
1012 PA1 0.8678
1013 VNJ 0.8678
1014 GLT 0.8677
1015 5CL 0.8677
1016 6X9 0.8675
1017 MZG 0.8675
1018 3Y7 0.8674
1019 T6C 0.8673
1020 1XA 0.8672
1021 K5W 0.8671
1022 BIK 0.8670
1023 R8S 0.8670
1024 F9P 0.8669
1025 4CL 0.8669
1026 4ZE 0.8669
1027 ZWZ 0.8667
1028 0R0 0.8666
1029 O2A 0.8665
1030 0LH 0.8665
1031 BEZ 0.8665
1032 DA4 0.8664
1033 E3D 0.8664
1034 LZ1 0.8662
1035 M78 0.8661
1036 9LI 0.8661
1037 7VP 0.8660
1038 AC0 0.8660
1039 MWM 0.8660
1040 HBA 0.8656
1041 DHC 0.8655
1042 JIF 0.8653
1043 AMG 0.8653
1044 M4S 0.8651
1045 MWJ 0.8650
1046 6PC 0.8649
1047 BR9 0.8648
1048 GLY PRO 0.8648
1049 YIO 0.8648
1050 AMH 0.8646
1051 QUS 0.8645
1052 A1U 0.8645
1053 GVH 0.8645
1054 0CT 0.8645
1055 TAG 0.8644
1056 AEF 0.8642
1057 MPI 0.8641
1058 BNL 0.8639
1059 MS0 0.8639
1060 TSU 0.8637
1061 4VY 0.8635
1062 PCI 0.8633
1063 0FR 0.8633
1064 27Y 0.8633
1065 IF7 0.8632
1066 FAN 0.8632
1067 0R1 0.8632
1068 E7R 0.8632
1069 2LP 0.8631
1070 P9E 0.8629
1071 XQK 0.8627
1072 7MK 0.8627
1073 HRM 0.8626
1074 NBZ 0.8626
1075 BEN 0.8623
1076 JBZ 0.8622
1077 DMJ 0.8620
1078 505 0.8620
1079 NCA 0.8618
1080 QOS 0.8617
1081 SAN 0.8617
1082 RUY 0.8616
1083 64E 0.8615
1084 5JC 0.8614
1085 3TJ 0.8613
1086 FCR 0.8612
1087 3BU 0.8612
1088 UQ 0.8612
1089 NK 0.8611
1090 VM1 0.8610
1091 ZEC 0.8610
1092 AAS 0.8610
1093 878 0.8609
1094 2YU 0.8607
1095 QIV 0.8606
1096 H8N 0.8604
1097 TLD 0.8604
1098 EUE 0.8603
1099 FDK 0.8602
1100 NIO 0.8602
1101 G4D 0.8600
1102 FBV 0.8598
1103 IDM 0.8598
1104 BAM 0.8597
1105 2MN 0.8596
1106 UNU 0.8596
1107 RHU 0.8593
1108 F3B 0.8592
1109 54Z 0.8590
1110 FH2 0.8590
1111 PBC 0.8588
1112 TM7 0.8586
1113 OGA 0.8585
1114 CCV 0.8582
1115 N1E 0.8579
1116 PZA 0.8579
1117 K34 0.8578
1118 FQI 0.8576
1119 HBI 0.8572
1120 IOS 0.8571
1121 95Z 0.8570
1122 MXX 0.8569
1123 QBM 0.8566
1124 H4B 0.8566
1125 HT4 0.8565
1126 RAT 0.8560
1127 795 0.8556
1128 3AE 0.8556
1129 9RW 0.8554
1130 C8O 0.8554
1131 KIF 0.8553
1132 RH1 0.8552
1133 PAC 0.8547
1134 II6 0.8547
1135 4J8 0.8545
1136 D3G 0.8545
1137 K8X 0.8544
1138 3AL 0.8540
1139 4A5 0.8540
1140 XXG 0.8539
1141 4P0 0.8538
1142 SMN 0.8537
1143 H05 0.8531
1144 2GQ 0.8524
1145 IQ5 0.8511
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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