Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
B53 A:901;
B:902;
Valid;
Valid;
none;
none;
ic50 = 8 uM
155.115 C4 H5 N5 O2 C1(=C...
SO4 A:278;
A:279;
A:280;
A:281;
B:278;
B:279;
B:280;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
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: B53; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 B53 1 1
2 7VJ 0.487805 0.961538
Similar Ligands (3D)
Ligand no: 1; Ligand: B53; Similar ligands found: 1114
No: Ligand Similarity coefficient
1 B57 0.9793
2 AZA 0.9746
3 XAN 0.9734
4 25W 0.9728
5 KJY 0.9710
6 JFD 0.9708
7 IGA 0.9698
8 XYP 0.9698
9 141 0.9687
10 9DG 0.9686
11 FYU 0.9680
12 7MH 0.9674
13 PE0 0.9672
14 YH7 0.9670
15 T6C 0.9670
16 1XM 0.9669
17 6AP 0.9669
18 Q24 0.9663
19 A2F 0.9661
20 290 0.9658
21 JIF 0.9652
22 6GU 0.9652
23 FDB 0.9646
24 AZG 0.9643
25 BGC 0.9643
26 M5K 0.9641
27 GUN 0.9641
28 MEW 0.9635
29 J9W 0.9632
30 AQO 0.9631
31 24B 0.9625
32 AZ8 0.9624
33 GLC 0.9614
34 M1Q 0.9612
35 67N 0.9610
36 AJ2 0.9598
37 G6D 0.9595
38 M1A 0.9593
39 8S0 0.9593
40 CFP 0.9592
41 HMU 0.9591
42 DX4 0.9589
43 4HC 0.9587
44 0CU 0.9581
45 BOA 0.9574
46 TH7 0.9574
47 LXC 0.9573
48 HH5 0.9572
49 9MG 0.9561
50 680 0.9561
51 NOJ 0.9557
52 ASO 0.9553
53 8H8 0.9547
54 3DM 0.9546
55 NSP 0.9543
56 MO8 0.9543
57 ZZT 0.9532
58 6F0 0.9531
59 GRE 0.9528
60 2ZV 0.9524
61 LCN 0.9524
62 NOY 0.9523
63 ADZ 0.9523
64 DIE 0.9518
65 BTY 0.9518
66 G3F 0.9515
67 F81 0.9514
68 GCS 0.9510
69 URF 0.9509
70 FUL 0.9506
71 1XN 0.9503
72 HMH 0.9500
73 NDM 0.9500
74 5CU 0.9499
75 7B4 0.9498
76 PYQ 0.9493
77 FCB 0.9492
78 F5B 0.9491
79 BTE 0.9490
80 948 0.9487
81 FUC 0.9481
82 G2F 0.9478
83 KIB 0.9477
84 KIA 0.9477
85 EQT 0.9477
86 EXO 0.9476
87 MFB 0.9475
88 GIO 0.9475
89 3DO 0.9471
90 23A 0.9470
91 WBU 0.9470
92 5SG 0.9468
93 IFL 0.9465
94 B60 0.9465
95 5Q0 0.9464
96 6AI 0.9463
97 5NU 0.9461
98 BHA 0.9458
99 1NP 0.9457
100 DRL 0.9456
101 39A 0.9453
102 82I 0.9449
103 260 0.9449
104 XXR 0.9445
105 PRF 0.9441
106 HQY 0.9441
107 DOB 0.9441
108 NQ 0.9438
109 4YS 0.9436
110 VK3 0.9435
111 IFM 0.9433
112 BZX 0.9433
113 B55 0.9433
114 RNS 0.9429
115 SAL 0.9429
116 3RK 0.9427
117 JAE 0.9425
118 PYD 0.9425
119 FUF 0.9423
120 PXL 0.9422
121 RM4 0.9421
122 O72 0.9421
123 RXA 0.9420
124 URC 0.9420
125 FA0 0.9419
126 7HQ 0.9417
127 1SQ 0.9415
128 03V 0.9410
129 BE2 0.9409
130 XHP 0.9408
131 TDR 0.9406
132 4M0 0.9405
133 1WG 0.9405
134 ES1 0.9405
135 24W 0.9404
136 5IQ 0.9403
137 SVN 0.9401
138 TBP 0.9401
139 BCP 0.9400
140 14O 0.9397
141 F60 0.9397
142 5H1 0.9396
143 ISE 0.9396
144 ICP 0.9393
145 1LQ 0.9392
146 GAL 0.9392
147 F05 0.9389
148 COU 0.9388
149 INS 0.9387
150 2K4 0.9387
151 LGC 0.9386
152 LZM 0.9384
153 4JO 0.9382
154 2D0 0.9382
155 5MI 0.9381
156 6M1 0.9380
157 ADE 0.9379
158 XAZ 0.9379
159 43M 0.9379
160 8TX 0.9378
161 75K 0.9375
162 I3A 0.9375
163 2A9 0.9373
164 5MB 0.9373
165 MAQ 0.9370
166 OXZ 0.9369
167 PFB 0.9366
168 GLA 0.9364
169 94B 0.9363
170 44W 0.9363
171 5JQ 0.9363
172 XYS 0.9363
173 7WA 0.9362
174 JPZ 0.9361
175 3HA 0.9359
176 OTW 0.9358
177 DFB 0.9355
178 XQ0 0.9353
179 7W1 0.9352
180 M1E 0.9352
181 3F0 0.9350
182 JBK 0.9349
183 TEP 0.9349
184 4FS 0.9349
185 5MH 0.9348
186 PQ0 0.9348
187 2EC 0.9346
188 34A 0.9346
189 EA1 0.9346
190 8IG 0.9343
191 2MP 0.9342
192 2AQ 0.9342
193 SHG 0.9342
194 FE DB1 0.9341
195 3U4 0.9341
196 DBH 0.9338
197 JB5 0.9335
198 11S 0.9335
199 ES6 0.9334
200 4SV 0.9333
201 ARB 0.9333
202 35C 0.9330
203 12B 0.9330
204 H42 0.9330
205 ES9 0.9327
206 150 0.9325
207 JZ3 0.9325
208 N5J 0.9325
209 HPA 0.9325
210 2FG 0.9324
211 ADK 0.9324
212 4XH 0.9324
213 5QX 0.9323
214 149 0.9323
215 5UC 0.9322
216 3M0 0.9322
217 ES5 0.9321
218 QX4 0.9319
219 YIO 0.9317
220 1WD 0.9317
221 MWM 0.9316
222 DQU 0.9316
223 9EW 0.9316
224 AHR 0.9315
225 1PT 0.9315
226 3MG 0.9313
227 DBJ 0.9313
228 44V 0.9312
229 ISN 0.9311
230 OCH 0.9308
231 0MK 0.9307
232 1MC 0.9305
233 IV2 0.9305
234 VOH 0.9304
235 TH0 0.9304
236 5JL 0.9303
237 1GN 0.9300
238 HZQ 0.9300
239 32X 0.9297
240 4ZE 0.9297
241 2H5 0.9295
242 ES0 0.9292
243 2GS 0.9291
244 HBA 0.9291
245 7VS 0.9290
246 XYD 0.9289
247 JKE 0.9287
248 42A 0.9287
249 XBZ 0.9287
250 KBG 0.9286
251 HFB 0.9286
252 CWM 0.9286
253 7W4 0.9286
254 6M9 0.9285
255 9HX 0.9284
256 RM1 0.9284
257 2CQ 0.9284
258 4HO 0.9284
259 329 0.9282
260 H4N 0.9282
261 6ME 0.9282
262 10L 0.9281
263 6MP 0.9281
264 MUA 0.9281
265 FK1 0.9281
266 IUR 0.9280
267 MCT 0.9280
268 NID 0.9280
269 AZ9 0.9280
270 WOO 0.9278
271 HLR 0.9276
272 9DA 0.9275
273 HHA 0.9275
274 0P6 0.9273
275 JZ2 0.9272
276 JBH 0.9272
277 DQN 0.9272
278 HH8 0.9271
279 M6N 0.9271
280 LYL 0.9270
281 B62 0.9270
282 P3K 0.9269
283 3WA 0.9267
284 GXY 0.9266
285 G5V 0.9264
286 ALL 0.9263
287 MNM 0.9263
288 UAN 0.9263
289 7WV 0.9263
290 FPY 0.9262
291 BCF 0.9262
292 JBE 0.9262
293 6KX 0.9261
294 MVN 0.9261
295 4AA 0.9261
296 0RW 0.9261
297 M0W 0.9261
298 PM6 0.9260
299 12Q 0.9260
300 2AC 0.9260
301 7HP 0.9259
302 IDH 0.9259
303 Q6T 0.9257
304 Q88 0.9255
305 SOE 0.9254
306 INE 0.9252
307 8CM 0.9251
308 2AK 0.9251
309 BP1 0.9250
310 KT7 0.9249
311 RIB 0.9249
312 AZF 0.9247
313 3MA 0.9246
314 TTL 0.9246
315 A1U 0.9246
316 MT0 0.9246
317 M0Q 0.9246
318 GLF 0.9245
319 1LM 0.9245
320 HLZ 0.9245
321 86J 0.9245
322 275 0.9244
323 BBF 0.9244
324 2XX 0.9243
325 ES4 0.9243
326 2ZQ 0.9243
327 GYE 0.9242
328 KKN 0.9241
329 BDP 0.9240
330 5WX 0.9240
331 GIV 0.9239
332 286 0.9239
333 FCA 0.9239
334 4HM 0.9238
335 45C 0.9238
336 5JC 0.9236
337 UEG 0.9236
338 FBT 0.9235
339 6VD 0.9235
340 0R0 0.9233
341 RAM 0.9231
342 FBB 0.9228
343 27Y 0.9228
344 NK 0.9227
345 37T 0.9227
346 KJH 0.9227
347 M1H 0.9227
348 RSF 0.9225
349 DHQ 0.9224
350 5WV 0.9223
351 CWS 0.9222
352 4VP 0.9220
353 PXM 0.9220
354 HX3 0.9220
355 LRH 0.9219
356 7ZE 0.9217
357 ARA 0.9217
358 5CL 0.9215
359 42C 0.9214
360 ES7 0.9212
361 0FO 0.9212
362 X6X 0.9212
363 ET2 0.9211
364 5XC 0.9211
365 V55 0.9211
366 IPB 0.9210
367 F0J 0.9210
368 G1O 0.9210
369 BZ3 0.9210
370 495 0.9209
371 2YU 0.9209
372 AFR 0.9208
373 HQD 0.9208
374 K2T 0.9208
375 SJ5 0.9206
376 3MC 0.9206
377 SKA 0.9206
378 QUZ 0.9205
379 G4D 0.9203
380 1AB 0.9202
381 270 0.9202
382 4JJ 0.9201
383 NPY 0.9201
384 4CL 0.9200
385 36R 0.9200
386 ABE 0.9199
387 E7Z 0.9199
388 TLD 0.9198
389 7NI 0.9195
390 MAN 0.9195
391 FP1 0.9194
392 CLW 0.9194
393 DHK 0.9194
394 TM7 0.9193
395 AKH 0.9193
396 MBD 0.9192
397 8NY 0.9192
398 5WY 0.9191
399 PHB 0.9191
400 R8A 0.9191
401 64K 0.9191
402 PYG 0.9190
403 HQT 0.9190
404 R2B 0.9188
405 3CE 0.9188
406 TC7 0.9188
407 KYD 0.9188
408 RIP 0.9188
409 2C9 0.9187
410 HT4 0.9185
411 PA1 0.9183
412 3MH 0.9180
413 FLM 0.9180
414 JUG 0.9180
415 5OB 0.9180
416 HJP 0.9180
417 4M4 0.9179
418 EUG 0.9179
419 KUF 0.9179
420 261 0.9179
421 2CM 0.9178
422 CN0 0.9177
423 ZVO 0.9176
424 D07 0.9176
425 AX7 0.9174
426 3Z8 0.9168
427 ABV 0.9168
428 DGJ 0.9167
429 ICO 0.9167
430 BMA 0.9166
431 2MY 0.9165
432 GTQ 0.9164
433 CTS 0.9163
434 MBG 0.9163
435 GMN 0.9161
436 KOJ 0.9160
437 MZG 0.9160
438 YSO 0.9160
439 IBF 0.9158
440 QOS 0.9157
441 GDE 0.9157
442 A65 0.9156
443 A7W 0.9156
444 FOT 0.9155
445 3FA 0.9154
446 4JU 0.9154
447 0FN 0.9153
448 NEQ 0.9153
449 FFP 0.9153
450 1P7 0.9153
451 LSA 0.9153
452 5VM 0.9152
453 GAF 0.9150
454 QWW 0.9150
455 SWD 0.9150
456 P92 0.9150
457 DFU 0.9149
458 F12 0.9146
459 2MI 0.9146
460 FH2 0.9145
461 2HQ 0.9145
462 4XR 0.9145
463 R8V 0.9143
464 QX2 0.9143
465 209 0.9142
466 6M4 0.9142
467 0N7 0.9141
468 FUB 0.9140
469 FDK 0.9140
470 MWJ 0.9140
471 UNC 0.9140
472 ODO 0.9139
473 H33 0.9138
474 2MN 0.9137
475 XQG 0.9137
476 VGD 0.9136
477 ES2 0.9136
478 BR9 0.9135
479 MSN 0.9135
480 3SK 0.9134
481 M2K 0.9133
482 VNJ 0.9133
483 F3B 0.9132
484 5RG 0.9132
485 3XX 0.9131
486 1P8 0.9131
487 IJZ 0.9131
488 GXL 0.9127
489 SHA 0.9126
490 QPR 0.9126
491 GOG 0.9125
492 VNL 0.9125
493 TTY 0.9124
494 15L 0.9124
495 EDG 0.9123
496 4JT 0.9122
497 PCI 0.9121
498 0TR 0.9120
499 5RN 0.9120
500 NPO 0.9119
501 JZ1 0.9119
502 6MH 0.9113
503 6CS 0.9113
504 GBD 0.9112
505 MR1 0.9111
506 F9Y 0.9111
507 2MH 0.9111
508 7CZ 0.9110
509 EJZ 0.9108
510 DMJ 0.9107
511 4PW 0.9106
512 IF7 0.9105
513 1U6 0.9105
514 F1A 0.9100
515 X05 0.9099
516 F4Z 0.9098
517 DUB 0.9097
518 3ID 0.9097
519 PLQ 0.9096
520 SWA 0.9096
521 DEN 0.9095
522 2KA 0.9094
523 54G 0.9094
524 4XV 0.9093
525 5M0 0.9091
526 60P 0.9088
527 8WO 0.9087
528 FBA 0.9087
529 PAB 0.9084
530 2CK 0.9082
531 4CH 0.9082
532 HY3 0.9081
533 OXC 0.9079
534 CLZ 0.9077
535 4NC 0.9076
536 CTL 0.9075
537 5B1 0.9074
538 DIN 0.9074
539 RPQ 0.9074
540 KP6 0.9072
541 XM0 0.9072
542 06B 0.9070
543 Y8I 0.9069
544 GLT 0.9068
545 TOF 0.9068
546 4JL 0.9068
547 GCU 0.9068
548 MQN 0.9066
549 N2I 0.9066
550 4JQ 0.9064
551 PRZ 0.9060
552 9KT 0.9059
553 5MK 0.9059
554 GCB 0.9059
555 X09 0.9059
556 IDM 0.9059
557 1DW 0.9058
558 FPN 0.9057
559 5RO 0.9056
560 BEA 0.9055
561 I1N 0.9054
562 BZF 0.9054
563 0TU 0.9053
564 BSX 0.9052
565 DPZ 0.9052
566 AJV 0.9051
567 CFF 0.9051
568 MRW 0.9051
569 BDF 0.9050
570 PXY 0.9050
571 8ZE 0.9050
572 4Z4 0.9049
573 RB5 0.9048
574 XYL 0.9048
575 DMD 0.9048
576 BZI 0.9048
577 TBS 0.9047
578 HQE 0.9046
579 HXX 0.9046
580 PZM 0.9045
581 OXQ 0.9045
582 2A7 0.9043
583 MS9 0.9041
584 GTZ 0.9040
585 4XS 0.9040
586 C2U 0.9040
587 BML 0.9039
588 IND 0.9038
589 NTM 0.9038
590 2LP 0.9037
591 NDH 0.9035
592 APZ 0.9035
593 PCR 0.9034
594 3Z7 0.9032
595 AC6 0.9031
596 C2B 0.9030
597 SYV 0.9030
598 K17 0.9030
599 3FH 0.9029
600 DA1 0.9027
601 GAG 0.9027
602 GVH 0.9026
603 92K 0.9025
604 0R1 0.9025
605 PHT 0.9024
606 3PF 0.9024
607 1LN 0.9024
608 FSW 0.9023
609 SOR 0.9023
610 EVA 0.9022
611 ARW 0.9022
612 2FY 0.9021
613 HBD 0.9021
614 H8N 0.9020
615 0CT 0.9020
616 LG4 0.9020
617 ZZ3 0.9019
618 5QY 0.9019
619 4YO 0.9017
620 LZ1 0.9017
621 7D2 0.9014
622 G3E 0.9014
623 GAB 0.9013
624 P72 0.9012
625 4JP 0.9011
626 KLW 0.9009
627 R8S 0.9007
628 GOO 0.9007
629 4JM 0.9005
630 Z6J 0.9004
631 6LW 0.9002
632 LKA 0.9002
633 JZ9 0.9001
634 1Y6 0.9000
635 MPI 0.8998
636 JXN 0.8998
637 IP0 0.8998
638 LI6 0.8997
639 JBQ 0.8996
640 25R 0.8995
641 94N 0.8994
642 MYJ 0.8994
643 D3M 0.8991
644 SX1 0.8989
645 826 0.8986
646 OA3 0.8984
647 SE2 0.8984
648 SRT 0.8982
649 4ZC 0.8982
650 NTZ 0.8981
651 4HS 0.8981
652 IPZ 0.8981
653 GJS 0.8980
654 TMZ 0.8980
655 4MA 0.8979
656 DHB 0.8979
657 JZ4 0.8978
658 5AC 0.8976
659 P9P 0.8976
660 BNT 0.8975
661 GM7 0.8974
662 3NT 0.8974
663 GTL 0.8974
664 XX2 0.8973
665 JA8 0.8972
666 MT5 0.8971
667 PBZ 0.8971
668 5HN 0.8971
669 ORO 0.8970
670 TMT 0.8969
671 AMG 0.8969
672 3AB 0.8968
673 ZWZ 0.8968
674 AGK 0.8966
675 4MU 0.8965
676 12M 0.8964
677 INO 0.8964
678 AEZ 0.8962
679 S76 0.8959
680 0JD 0.8959
681 7B3 0.8958
682 3HB 0.8958
683 GIM 0.8957
684 6UA 0.8955
685 HTP 0.8954
686 94W 0.8954
687 93K 0.8954
688 9TW 0.8954
689 GTR 0.8950
690 4JN 0.8950
691 5WU 0.8948
692 RHU 0.8948
693 J5I 0.8948
694 PHH 0.8947
695 7ME 0.8946
696 OVV 0.8945
697 TAR 0.8944
698 LMR 0.8944
699 MVL 0.8943
700 N8Y 0.8943
701 95Z 0.8943
702 GOX 0.8942
703 D48 0.8942
704 2HO 0.8942
705 4TU 0.8941
706 BR8 0.8941
707 TFU 0.8940
708 SEJ 0.8940
709 AX2 0.8939
710 174 0.8935
711 II6 0.8933
712 QAT 0.8932
713 MWP 0.8932
714 4A3 0.8931
715 NNO 0.8931
716 0HO 0.8931
717 GZ8 0.8930
718 5NE 0.8929
719 MZB 0.8928
720 9TZ 0.8928
721 ASC 0.8927
722 CWJ 0.8927
723 53C 0.8927
724 FPK 0.8926
725 K22 0.8926
726 4XX 0.8926
727 KDV 0.8925
728 WCE 0.8925
729 YTB 0.8924
730 FHB 0.8923
731 5AN 0.8922
732 Q7A 0.8921
733 FHN 0.8920
734 E5X 0.8920
735 4ME 0.8919
736 ADA 0.8918
737 CHB 0.8918
738 HIO 0.8917
739 JLZ 0.8915
740 47J 0.8914
741 GIF 0.8914
742 LT2 0.8914
743 MFU 0.8914
744 3MB 0.8913
745 K32 0.8912
746 FBV 0.8912
747 13X 0.8912
748 BHO 0.8911
749 PH2 0.8910
750 2FQ 0.8910
751 9R5 0.8907
752 34D 0.8907
753 SKM 0.8907
754 EHM 0.8906
755 2DR 0.8905
756 MRY 0.8904
757 QAS 0.8904
758 BEW 0.8903
759 OVM 0.8903
760 2CL 0.8902
761 FGZ 0.8901
762 DIU 0.8900
763 BK9 0.8900
764 FB1 0.8900
765 ZZ8 0.8898
766 3AY 0.8898
767 GT0 0.8897
768 40O 0.8897
769 HHR 0.8896
770 AW5 0.8896
771 J9Q 0.8896
772 0W8 0.8893
773 UQ 0.8893
774 3A9 0.8893
775 ERH 0.8892
776 5ZE 0.8892
777 ZXD 0.8890
778 Z82 0.8890
779 SYA 0.8888
780 MA3 0.8888
781 3BZ 0.8888
782 2BG 0.8887
783 3OC 0.8886
784 JTH 0.8885
785 PX7 0.8884
786 TM4 0.8884
787 1F1 0.8884
788 PQK 0.8884
789 TGX 0.8883
790 KYA 0.8883
791 QWN 0.8882
792 L3Q 0.8881
793 KJU 0.8881
794 3IT 0.8880
795 OXE 0.8880
796 Z5P 0.8878
797 WDL 0.8874
798 2ZX 0.8872
799 PFL 0.8872
800 8WT 0.8871
801 YQA 0.8870
802 GZL 0.8870
803 BCU 0.8870
804 LFR 0.8870
805 3HM 0.8868
806 RBL 0.8867
807 BPN 0.8865
808 0HN 0.8862
809 R1X 0.8861
810 JU2 0.8860
811 8GC 0.8860
812 1M2 0.8859
813 PAF 0.8859
814 717 0.8859
815 ISD 0.8858
816 ANN 0.8858
817 BRT 0.8857
818 IOL 0.8851
819 URP 0.8850
820 PNZ 0.8848
821 BEZ 0.8848
822 92Z 0.8847
823 SW7 0.8847
824 IHB 0.8846
825 9TY 0.8846
826 LDP 0.8845
827 JZ0 0.8842
828 AIN 0.8841
829 97T 0.8840
830 H62 0.8839
831 K5W 0.8839
832 TLA 0.8837
833 QXW 0.8837
834 8LG 0.8837
835 6NT 0.8835
836 2CH 0.8835
837 FRU 0.8835
838 93Q 0.8834
839 1AN 0.8834
840 3ZQ 0.8834
841 RUU 0.8834
842 HTS 0.8833
843 2ZM 0.8831
844 PDC 0.8831
845 4CS 0.8830
846 6NI 0.8830
847 HKD 0.8829
848 ILE 0.8828
849 QBK 0.8828
850 6PC 0.8827
851 H76 0.8826
852 GCW 0.8826
853 YCP 0.8826
854 TSS 0.8825
855 938 0.8823
856 QSB 0.8823
857 O2A 0.8822
858 1XX 0.8820
859 TWO 0.8820
860 H6B 0.8818
861 DQA 0.8817
862 2HU 0.8817
863 PRY 0.8817
864 BEN 0.8817
865 6RQ 0.8816
866 ZZZ 0.8815
867 HNQ 0.8815
868 4BZ 0.8815
869 J9T 0.8814
870 M2H 0.8811
871 JXZ 0.8811
872 5NI 0.8811
873 XUL 0.8810
874 QIC 0.8810
875 CGB 0.8810
876 CAQ 0.8810
877 AMC 0.8810
878 7WR 0.8809
879 GYP 0.8808
880 LDU 0.8806
881 23W 0.8804
882 B5D 0.8803
883 HA7 0.8802
884 N7P 0.8801
885 SXS 0.8800
886 BAM 0.8800
887 NSG 0.8798
888 2AL 0.8796
889 XIY 0.8795
890 6X8 0.8795
891 20J 0.8795
892 32O 0.8795
893 FP2 0.8794
894 4FA 0.8794
895 OAA 0.8793
896 GLY PRO 0.8792
897 R9S 0.8792
898 2AF 0.8790
899 MMA 0.8790
900 SFU 0.8789
901 PEY 0.8789
902 JAW 0.8789
903 NBZ 0.8789
904 173 0.8788
905 4RU 0.8787
906 9FL 0.8786
907 ZB1 0.8785
908 76X 0.8785
909 ABI 0.8781
910 FBG 0.8781
911 FDR 0.8780
912 GJP 0.8780
913 3NY 0.8780
914 5GU 0.8778
915 NCA 0.8778
916 AMH 0.8777
917 FA3 0.8776
918 K8X 0.8775
919 18N 0.8775
920 ISZ 0.8774
921 EYK 0.8773
922 YRL 0.8772
923 4NM 0.8770
924 280 0.8768
925 HBX 0.8766
926 KPL 0.8765
927 PBR 0.8764
928 L89 0.8764
929 3GQ 0.8762
930 NGA 0.8761
931 NIO 0.8761
932 DHR 0.8760
933 SRO 0.8760
934 NIZ 0.8759
935 CRS 0.8759
936 0LH 0.8757
937 PZA 0.8757
938 ECE 0.8757
939 GSY 0.8756
940 Q71 0.8756
941 D1X 0.8753
942 DOR 0.8753
943 GCV 0.8747
944 AH8 0.8744
945 1HN 0.8743
946 OW4 0.8743
947 RBJ 0.8742
948 ALO 0.8742
949 NAG 0.8742
950 VGL 0.8741
951 282 0.8738
952 DEE 0.8737
953 KIV 0.8736
954 FPI 0.8736
955 YAN 0.8735
956 4P5 0.8733
957 3V4 0.8732
958 SN4 0.8732
959 284 0.8732
960 2LY 0.8731
961 AEF 0.8731
962 1MR 0.8724
963 EKZ 0.8724
964 EV0 0.8723
965 IFP 0.8721
966 ABN 0.8721
967 92P 0.8720
968 C2Y 0.8717
969 SVD 0.8714
970 23J 0.8714
971 J1Z 0.8713
972 JND 0.8712
973 RCO 0.8712
974 SYN 0.8711
975 4KL 0.8711
976 1P3 0.8710
977 JXW 0.8708
978 NTN 0.8708
979 3SL 0.8706
980 NVU 0.8706
981 FCR 0.8705
982 A2G 0.8704
983 8XQ 0.8703
984 URA 0.8702
985 EPR 0.8699
986 12T 0.8699
987 UNU 0.8698
988 X8D 0.8696
989 226 0.8696
990 TCZ 0.8695
991 9X7 0.8693
992 HHT 0.8692
993 B0D 0.8691
994 AUD 0.8691
995 6HQ 0.8690
996 R9Y 0.8690
997 ICC 0.8688
998 VAL 0.8687
999 N8P 0.8686
1000 DBX 0.8686
1001 PCA 0.8683
1002 FLV 0.8682
1003 293 0.8681
1004 FQI 0.8681
1005 JB8 0.8680
1006 9PY 0.8680
1007 42J 0.8679
1008 PBC 0.8679
1009 MZW 0.8678
1010 E3D 0.8675
1011 DNA 0.8675
1012 QSC 0.8674
1013 E1T 0.8673
1014 MHK 0.8673
1015 3CH 0.8672
1016 HDH 0.8671
1017 NK2 0.8670
1018 K6X 0.8670
1019 NBE 0.8669
1020 15N 0.8668
1021 CYT 0.8668
1022 Q77 0.8667
1023 SAN 0.8667
1024 FAN 0.8665
1025 259 0.8662
1026 M3S 0.8662
1027 LG3 0.8661
1028 PYF 0.8660
1029 9CA 0.8660
1030 7N0 0.8660
1031 L7T 0.8660
1032 KGK 0.8660
1033 MAK 0.8659
1034 JDN 0.8655
1035 1IT 0.8654
1036 GDL 0.8652
1037 5DI 0.8652
1038 TZE 0.8651
1039 H7Y 0.8650
1040 CFI 0.8649
1041 TSU 0.8648
1042 AAS 0.8647
1043 NMJ 0.8641
1044 PYJ 0.8640
1045 FA1 0.8637
1046 UFV 0.8634
1047 52C 0.8633
1048 EOL 0.8632
1049 069 0.8631
1050 FBM 0.8627
1051 6BL 0.8626
1052 14J 0.8626
1053 BP9 0.8626
1054 NDG 0.8622
1055 AC0 0.8621
1056 NGO 0.8617
1057 RSO 0.8617
1058 26D 0.8617
1059 15E 0.8617
1060 BVF 0.8617
1061 LT8 0.8616
1062 HLD 0.8615
1063 LG5 0.8613
1064 X0V 0.8611
1065 I6G 0.8610
1066 8HC 0.8610
1067 0F9 0.8610
1068 KBB 0.8608
1069 F9P 0.8603
1070 27B 0.8600
1071 8W9 0.8600
1072 ZYR 0.8597
1073 DNC 0.8596
1074 UFO 0.8596
1075 SR1 0.8595
1076 GCO 0.8595
1077 OHP 0.8592
1078 PD2 0.8590
1079 M4E 0.8588
1080 GLU 0.8585
1081 M58 0.8584
1082 RMN 0.8584
1083 B24 0.8584
1084 FLA 0.8580
1085 BSP 0.8580
1086 J01 0.8579
1087 HGQ 0.8577
1088 3R9 0.8576
1089 PY7 0.8576
1090 APY 0.8574
1091 ASN 0.8574
1092 NGT 0.8571
1093 ENL 0.8571
1094 51F 0.8570
1095 8GF 0.8570
1096 XXP 0.8570
1097 AA 0.8569
1098 TIU 0.8561
1099 W81 0.8560
1100 F31 0.8560
1101 4FH 0.8556
1102 SLS 0.8555
1103 5NS 0.8550
1104 PBA 0.8549
1105 3BU 0.8546
1106 4WL 0.8545
1107 OTR 0.8540
1108 TYL 0.8540
1109 K37 0.8535
1110 DYA 0.8535
1111 3C1 0.8530
1112 LDR 0.8530
1113 TT4 0.8529
1114 9CL 0.8526
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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