Receptor
PDB id Resolution Class Description Source Keywords
3GB9 2.3 Å EC: 2.4.2.1 HUMAN PURINE NUCLEOSIDE PHOSPHORYLASE DOUBLE MUTANT E201Q,N2 COMPLEXED WITH 2-FLUOROADENINE HOMO SAPIENS ENZYME-PRODUCT COMPLEX DISEASE MUTATION GLYCOSYLTRANSFERASTRANSFERASE
Ref.: STRUCTURE OF A MUTANT HUMAN PURINE NUCLEOSIDE PHOSP WITH THE PRODRUG, 2-FLUORO-2'-DEOXYADENOSINE AND TH CYTOTOXIC DRUG, 2-FLUOROADENINE. PROTEIN SCI. V. 18 1107 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
A2F A:300;
B:300;
C:300;
 Valid;
Valid;
Valid;
 none;
none;
none;
 submit data
153.117 C5 H4 F N5 c1[nH...
GOL C:299;
 Invalid;
 none;
 submit data
92.094 C3 H8 O3 C(C(C...
SO4 A:290;
A:291;
A:292;
A:293;
A:294;
A:295;
A:296;
A:297;
A:298;
A:299;
A:301;
A:302;
B:290;
B:291;
B:292;
B:293;
B:294;
B:295;
B:296;
B:297;
B:298;
B:299;
B:301;
B:302;
C:290;
C:291;
C:292;
C:293;
C:294;
C:295;
C:296;
C:297;
C:298;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
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
2A0W 2.28 Å EC: 2.4.2.1 STRUCTURE OF HUMAN PURINE NUCLEOSIDE PHOSPHORYLASE H257G MUT HOMO SAPIENS PURINE NUCLEOSIDE PHOSPHORYLASE TRANSITION STATE INHIBITORTRANSFERASE
Ref.: NEIGHBORING GROUP PARTICIPATION IN THE TRANSITION S HUMAN PURINE NUCLEOSIDE PHOSPHORYLASE. BIOCHEMISTRY V. 46 5038 2007
Members (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 2ON6 Ki = 172 nM IMH C11 H14 N4 O4 c1c(c2c([n....
2 2A0Y Ki = 900 pM DIH C12 H17 N4 O3 c1c(c2c([n....
3 1RR6 - IMH C11 H14 N4 O4 c1c(c2c([n....
4 2A0X Ki = 950 pM DIH C12 H17 N4 O3 c1c(c2c([n....
5 3GB9 - A2F C5 H4 F N5 c1[nH]c2c(....
6 1RT9 - IMH C11 H14 N4 O4 c1c(c2c([n....
7 5UGF - IM5 C12 H17 N5 O3 c1c(c2c([n....
8 3BGS Ki = 380 pM DIH C12 H17 N4 O3 c1c(c2c([n....
9 1RSZ - DIH C12 H17 N4 O3 c1c(c2c([n....
10 2A0W Ki = 270 pM DIH C12 H17 N4 O3 c1c(c2c([n....
70% Homology Family (30)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 2ON6 Ki = 172 nM IMH C11 H14 N4 O4 c1c(c2c([n....
2 2A0Y Ki = 900 pM DIH C12 H17 N4 O3 c1c(c2c([n....
3 1RR6 - IMH C11 H14 N4 O4 c1c(c2c([n....
4 2A0X Ki = 950 pM DIH C12 H17 N4 O3 c1c(c2c([n....
5 3GB9 - A2F C5 H4 F N5 c1[nH]c2c(....
6 1RT9 - IMH C11 H14 N4 O4 c1c(c2c([n....
7 5UGF - IM5 C12 H17 N5 O3 c1c(c2c([n....
8 3BGS Ki = 380 pM DIH C12 H17 N4 O3 c1c(c2c([n....
9 1RSZ - DIH C12 H17 N4 O3 c1c(c2c([n....
10 2A0W Ki = 270 pM DIH C12 H17 N4 O3 c1c(c2c([n....
11 1B8O Ki = 23 pM IMH C11 H14 N4 O4 c1c(c2c([n....
12 1A9T - R1P C5 H11 O8 P C([C@@H]1[....
13 1VFN Ki = 2.5 uM HPA C5 H4 N4 O c1[nH]c2c(....
14 2QPL ic50 = 18.9 uM BTY C6 H7 N5 O Cc1cc2n(n1....
15 2AI1 ic50 = 300 nM P1G C12 H16 N5 O8 P c1nc2c(n1[....
16 1B8N Ki = 30 pM IMG C11 H15 N5 O4 c1c(c2c([n....
17 1A9S - NOS C10 H12 N4 O5 c1nc2c(n1[....
18 2AI3 ic50 = 5000 nM P2G C11 H14 N5 O8 P c1nc2c(n1[....
19 1LVU Kd = 4.8 uM 9PP C9 H13 N6 O4 P C[C@@H](Cn....
20 1A9P - 9DI C11 H13 N3 O5 c1c(c2c([n....
21 2AI2 ic50 = 30 nM P1D C13 H16 N3 O8 P c1c(c2c([n....
22 1V48 Ki = 16 nM HA1 C10 H14 F2 N5 O4 P c1nc2c(n1C....
23 1A9Q - HPA C5 H4 N4 O c1[nH]c2c(....
24 3FUC Kd = 190 pM 9D9 C11 H15 F2 N4 O4 P c1c(c2c([n....
25 1A9R - HPA C5 H4 N4 O c1[nH]c2c(....
26 1LV8 Kd = 3.5 uM 9PP C9 H13 N6 O4 P C[C@@H](Cn....
27 1FXU - GU7 C10 H16 N6 O3 c1nc2c(n1C....
28 4EAR - IM5 C12 H17 N5 O3 c1c(c2c([n....
29 5ETJ Kd = 66 pM IM5 C12 H17 N5 O3 c1c(c2c([n....
30 4EB8 - IM5 C12 H17 N5 O3 c1c(c2c([n....
50% Homology Family (44)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2ON6 Ki = 172 nM IMH C11 H14 N4 O4 c1c(c2c([n....
2 2A0Y Ki = 900 pM DIH C12 H17 N4 O3 c1c(c2c([n....
3 1RR6 - IMH C11 H14 N4 O4 c1c(c2c([n....
4 2A0X Ki = 950 pM DIH C12 H17 N4 O3 c1c(c2c([n....
5 3GB9 - A2F C5 H4 F N5 c1[nH]c2c(....
6 1RT9 - IMH C11 H14 N4 O4 c1c(c2c([n....
7 5UGF - IM5 C12 H17 N5 O3 c1c(c2c([n....
8 3BGS Ki = 380 pM DIH C12 H17 N4 O3 c1c(c2c([n....
9 1RSZ - DIH C12 H17 N4 O3 c1c(c2c([n....
10 2A0W Ki = 270 pM DIH C12 H17 N4 O3 c1c(c2c([n....
11 1B8O Ki = 23 pM IMH C11 H14 N4 O4 c1c(c2c([n....
12 1A9T - R1P C5 H11 O8 P C([C@@H]1[....
13 1VFN Ki = 2.5 uM HPA C5 H4 N4 O c1[nH]c2c(....
14 2QPL ic50 = 18.9 uM BTY C6 H7 N5 O Cc1cc2n(n1....
15 2AI1 ic50 = 300 nM P1G C12 H16 N5 O8 P c1nc2c(n1[....
16 1B8N Ki = 30 pM IMG C11 H15 N5 O4 c1c(c2c([n....
17 1A9S - NOS C10 H12 N4 O5 c1nc2c(n1[....
18 2AI3 ic50 = 5000 nM P2G C11 H14 N5 O8 P c1nc2c(n1[....
19 1LVU Kd = 4.8 uM 9PP C9 H13 N6 O4 P C[C@@H](Cn....
20 1A9P - 9DI C11 H13 N3 O5 c1c(c2c([n....
21 2AI2 ic50 = 30 nM P1D C13 H16 N3 O8 P c1c(c2c([n....
22 1V48 Ki = 16 nM HA1 C10 H14 F2 N5 O4 P c1nc2c(n1C....
23 1A9Q - HPA C5 H4 N4 O c1[nH]c2c(....
24 3FUC Kd = 190 pM 9D9 C11 H15 F2 N4 O4 P c1c(c2c([n....
25 1A9R - HPA C5 H4 N4 O c1[nH]c2c(....
26 1LV8 Kd = 3.5 uM 9PP C9 H13 N6 O4 P C[C@@H](Cn....
27 1FXU - GU7 C10 H16 N6 O3 c1nc2c(n1C....
28 5IFK - HPA C5 H4 N4 O c1[nH]c2c(....
29 5TBT - CTN C9 H13 N3 O5 C1=CN(C(=O....
30 5TBU - HPA C5 H4 N4 O c1[nH]c2c(....
31 5TBS - ADE C5 H5 N5 c1[nH]c2c(....
32 4EAR - IM5 C12 H17 N5 O3 c1c(c2c([n....
33 5ETJ Kd = 66 pM IM5 C12 H17 N5 O3 c1c(c2c([n....
34 4EB8 - IM5 C12 H17 N5 O3 c1c(c2c([n....
35 2P4S Ki = 0.31 nM DIH C12 H17 N4 O3 c1c(c2c([n....
36 3FB1 - R1P C5 H11 O8 P C([C@@H]1[....
37 3E9R - ADE C5 H5 N5 c1[nH]c2c(....
38 3E0Q - JFD C4 H4 Br N3 O2 C1(=C(NC(=....
39 3FNQ - HPA C5 H4 N4 O c1[nH]c2c(....
40 3FAZ - NOS C10 H12 N4 O5 c1nc2c(n1[....
41 3IEX - GMP C10 H13 N5 O5 c1nc2c(n1[....
42 3DJF ic50 = 0.8 uM BC3 C12 H11 N5 O c1cc(cnc1)....
43 3F8W - ADN C10 H13 N5 O4 c1nc(c2c(n....
44 1VMK - GUN C5 H5 N5 O c1[nH]c2c(....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: A2F; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 A2F 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: A2F; Similar ligands found: 1169
No: Ligand Similarity coefficient
1 AZG 1.0000
2 AZA 1.0000
3 9DG 1.0000
4 GUN 1.0000
5 XAN 1.0000
6 141 1.0000
7 6AP 1.0000
8 290 1.0000
9 IGA 1.0000
10 CFP 1.0000
11 6GU 1.0000
12 DX4 1.0000
13 YH7 0.9981
14 1XM 0.9980
15 0CU 0.9967
16 BOA 0.9959
17 BCP 0.9931
18 HH5 0.9882
19 AZ8 0.9849
20 PE0 0.9828
21 Q24 0.9797
22 M6N 0.9767
23 M5K 0.9753
24 URC 0.9752
25 AQO 0.9751
26 MEW 0.9749
27 BTY 0.9745
28 7WA 0.9740
29 FDB 0.9738
30 9MG 0.9738
31 AJ2 0.9737
32 ADE 0.9736
33 B55 0.9735
34 HPA 0.9735
35 10L 0.9728
36 7HP 0.9727
37 4HC 0.9721
38 6AI 0.9720
39 BP1 0.9718
40 6MP 0.9718
41 5JQ 0.9715
42 PM6 0.9712
43 BGC 0.9711
44 1XN 0.9707
45 BTE 0.9707
46 5MB 0.9698
47 5Q0 0.9696
48 9DA 0.9694
49 9HX 0.9693
50 5H1 0.9690
51 BZX 0.9689
52 ES4 0.9688
53 2K4 0.9683
54 75K 0.9683
55 SWD 0.9681
56 14O 0.9679
57 F60 0.9677
58 8TX 0.9677
59 5MI 0.9672
60 5SG 0.9663
61 1NP 0.9662
62 B53 0.9661
63 8IG 0.9657
64 GLC 0.9657
65 ES9 0.9656
66 XYP 0.9656
67 FYU 0.9653
68 RM1 0.9653
69 HQY 0.9652
70 1LM 0.9646
71 5IQ 0.9644
72 7HQ 0.9638
73 ES1 0.9636
74 N5J 0.9631
75 4YS 0.9629
76 NOJ 0.9626
77 G6D 0.9625
78 XAZ 0.9624
79 I3A 0.9623
80 11S 0.9622
81 BE2 0.9614
82 SVN 0.9613
83 O72 0.9611
84 HH8 0.9611
85 1SQ 0.9608
86 4XH 0.9608
87 SAL 0.9606
88 5JL 0.9601
89 7NI 0.9601
90 EQT 0.9594
91 5RG 0.9594
92 5OB 0.9593
93 J9W 0.9590
94 25W 0.9590
95 Q88 0.9589
96 24W 0.9589
97 JBE 0.9588
98 5NU 0.9588
99 FK1 0.9587
100 ES6 0.9586
101 H4N 0.9586
102 4SV 0.9583
103 ES0 0.9579
104 JPZ 0.9579
105 9EW 0.9577
106 HJP 0.9577
107 3M0 0.9576
108 1LQ 0.9570
109 ADZ 0.9563
110 EA1 0.9562
111 3U4 0.9560
112 M1E 0.9560
113 3F0 0.9560
114 F05 0.9556
115 QBK 0.9554
116 CWM 0.9547
117 LZM 0.9547
118 AHR 0.9544
119 DBH 0.9542
120 M1A 0.9541
121 1WD 0.9540
122 BZ3 0.9540
123 NQ 0.9538
124 XQG 0.9537
125 G3F 0.9535
126 UNC 0.9534
127 5XC 0.9528
128 7B4 0.9525
129 3HA 0.9524
130 FE DB1 0.9524
131 LXC 0.9524
132 0RW 0.9523
133 HMH 0.9523
134 COU 0.9522
135 8NY 0.9519
136 QX2 0.9517
137 2A7 0.9516
138 5CU 0.9516
139 QWW 0.9515
140 GIO 0.9514
141 OXC 0.9512
142 JKE 0.9511
143 S76 0.9507
144 Q6T 0.9504
145 VK3 0.9504
146 UAN 0.9499
147 42A 0.9497
148 67N 0.9494
149 ADK 0.9493
150 3MA 0.9493
151 RSF 0.9493
152 RXA 0.9492
153 M1Q 0.9490
154 03V 0.9490
155 F5B 0.9485
156 2AQ 0.9481
157 OCH 0.9481
158 FA0 0.9481
159 JIF 0.9481
160 23A 0.9479
161 7WV 0.9479
162 AZ9 0.9475
163 B57 0.9474
164 AKH 0.9474
165 HMU 0.9474
166 MT0 0.9472
167 4FS 0.9470
168 6M9 0.9470
169 H42 0.9468
170 ES5 0.9466
171 MUA 0.9466
172 2ZV 0.9465
173 7VS 0.9465
174 12B 0.9465
175 DOB 0.9463
176 KT7 0.9457
177 42C 0.9456
178 ORO 0.9455
179 8GC 0.9455
180 JZ3 0.9454
181 FOT 0.9447
182 5WX 0.9446
183 1P7 0.9444
184 XHP 0.9444
185 GTQ 0.9443
186 HLZ 0.9443
187 ZZT 0.9442
188 39A 0.9441
189 HZQ 0.9441
190 NMJ 0.9441
191 8S0 0.9436
192 GCS 0.9436
193 M0Q 0.9435
194 2D0 0.9434
195 ET2 0.9434
196 5RN 0.9433
197 NTM 0.9432
198 54G 0.9430
199 TEP 0.9430
200 GRE 0.9430
201 BZI 0.9428
202 6F0 0.9424
203 BHA 0.9423
204 4CS 0.9423
205 37T 0.9421
206 6VD 0.9421
207 6M4 0.9420
208 5M0 0.9419
209 495 0.9419
210 3NT 0.9417
211 6CS 0.9417
212 DRL 0.9414
213 FUL 0.9414
214 T6C 0.9412
215 MR1 0.9412
216 IJZ 0.9411
217 F9Y 0.9411
218 C2U 0.9411
219 ISN 0.9411
220 VGD 0.9410
221 GBD 0.9408
222 4M0 0.9408
223 GAB 0.9406
224 UEG 0.9406
225 2ZQ 0.9405
226 0CT 0.9404
227 36R 0.9403
228 DMD 0.9402
229 B60 0.9401
230 HHA 0.9400
231 7W4 0.9399
232 QPR 0.9398
233 3ID 0.9398
234 8H8 0.9396
235 5HN 0.9396
236 CLW 0.9394
237 HQD 0.9394
238 KKN 0.9392
239 7MH 0.9392
240 GAL 0.9391
241 5B1 0.9387
242 3WA 0.9387
243 KYD 0.9387
244 KIB 0.9386
245 KIA 0.9386
246 JBQ 0.9385
247 BR8 0.9384
248 NDM 0.9382
249 BZF 0.9382
250 GAG 0.9381
251 6M1 0.9379
252 G5V 0.9378
253 2DR 0.9377
254 XQ0 0.9376
255 QUZ 0.9375
256 1P8 0.9374
257 DOR 0.9372
258 0R0 0.9371
259 60P 0.9370
260 QWN 0.9370
261 HY3 0.9370
262 6UA 0.9369
263 NK 0.9368
264 GVH 0.9368
265 IND 0.9367
266 13X 0.9367
267 4JP 0.9367
268 3HB 0.9366
269 TDR 0.9366
270 R8V 0.9366
271 OXQ 0.9364
272 URF 0.9364
273 3AY 0.9364
274 PHT 0.9364
275 LSA 0.9363
276 1DW 0.9363
277 7ZE 0.9362
278 82I 0.9362
279 XXR 0.9361
280 MPI 0.9360
281 3AB 0.9359
282 D07 0.9358
283 0P6 0.9357
284 5WY 0.9357
285 44W 0.9356
286 VNL 0.9355
287 24B 0.9355
288 680 0.9354
289 0R1 0.9353
290 FP1 0.9352
291 AX2 0.9352
292 OVV 0.9348
293 34D 0.9348
294 MAQ 0.9348
295 OTW 0.9347
296 LZ1 0.9346
297 DEN 0.9346
298 0W8 0.9346
299 INE 0.9343
300 2AK 0.9342
301 5MK 0.9341
302 MO8 0.9341
303 PYQ 0.9340
304 261 0.9339
305 AW5 0.9338
306 DBJ 0.9338
307 R8S 0.9338
308 5ZE 0.9336
309 NID 0.9334
310 YSO 0.9333
311 NPY 0.9332
312 35C 0.9330
313 WBU 0.9329
314 ISE 0.9328
315 329 0.9326
316 4MU 0.9326
317 EXO 0.9324
318 ICO 0.9321
319 TH7 0.9321
320 CTS 0.9319
321 5WV 0.9318
322 ES2 0.9315
323 5AC 0.9314
324 5VM 0.9314
325 9TZ 0.9314
326 WDL 0.9313
327 0N7 0.9313
328 JBK 0.9310
329 3SK 0.9310
330 4ME 0.9309
331 SX1 0.9307
332 M1H 0.9306
333 JFD 0.9305
334 QX4 0.9302
335 5UC 0.9301
336 5AN 0.9301
337 B62 0.9301
338 WCE 0.9299
339 F81 0.9298
340 ES7 0.9297
341 2HQ 0.9297
342 QXW 0.9296
343 ICP 0.9294
344 3BZ 0.9292
345 53C 0.9292
346 KJY 0.9291
347 286 0.9290
348 JBH 0.9290
349 F12 0.9290
350 4JT 0.9290
351 7W1 0.9287
352 INS 0.9287
353 MCT 0.9285
354 2EC 0.9285
355 XYS 0.9285
356 3MG 0.9284
357 3DM 0.9280
358 DQU 0.9280
359 JB5 0.9280
360 32X 0.9280
361 3Z7 0.9280
362 2AL 0.9280
363 BRT 0.9279
364 86J 0.9278
365 DIU 0.9278
366 270 0.9271
367 8CM 0.9270
368 2ZX 0.9269
369 D1X 0.9268
370 12Q 0.9267
371 SHA 0.9263
372 BDP 0.9263
373 A7W 0.9262
374 IDM 0.9262
375 PRZ 0.9259
376 CWS 0.9258
377 1MC 0.9256
378 KJH 0.9256
379 IFL 0.9256
380 5QX 0.9254
381 GLA 0.9254
382 0FO 0.9253
383 47J 0.9252
384 2H5 0.9251
385 ASO 0.9250
386 VNJ 0.9249
387 CFF 0.9249
388 SWA 0.9247
389 2FG 0.9246
390 ABV 0.9245
391 TH0 0.9245
392 PXL 0.9244
393 GYE 0.9244
394 DFB 0.9244
395 F0J 0.9241
396 3MB 0.9238
397 MVN 0.9238
398 M0W 0.9237
399 AX7 0.9237
400 OVM 0.9236
401 TTL 0.9236
402 ERH 0.9234
403 3XX 0.9234
404 K17 0.9232
405 HQT 0.9232
406 PYG 0.9231
407 KLW 0.9228
408 DHQ 0.9226
409 JUG 0.9225
410 4ZC 0.9224
411 E7Z 0.9223
412 M2H 0.9221
413 MWM 0.9221
414 4AA 0.9219
415 G1O 0.9219
416 IPZ 0.9219
417 TBS 0.9217
418 3FA 0.9216
419 4HO 0.9215
420 4ZE 0.9215
421 R8A 0.9215
422 PXM 0.9215
423 PYD 0.9214
424 7VJ 0.9214
425 TBP 0.9213
426 1PT 0.9212
427 HLR 0.9211
428 MBD 0.9211
429 ZZ3 0.9211
430 JZ9 0.9210
431 FUC 0.9210
432 NSP 0.9209
433 1WG 0.9208
434 FBB 0.9204
435 DHK 0.9203
436 FCB 0.9203
437 44V 0.9202
438 RPQ 0.9200
439 LGC 0.9199
440 HFB 0.9197
441 APZ 0.9196
442 MFB 0.9196
443 2CK 0.9195
444 DIE 0.9195
445 BEZ 0.9194
446 2MP 0.9192
447 FFP 0.9191
448 K2T 0.9191
449 2MI 0.9190
450 NBZ 0.9190
451 YCP 0.9189
452 JA8 0.9188
453 2C9 0.9188
454 BEN 0.9188
455 RM4 0.9188
456 3MC 0.9187
457 92K 0.9186
458 2CQ 0.9186
459 CTL 0.9186
460 GMN 0.9185
461 275 0.9184
462 4JO 0.9184
463 3RK 0.9183
464 ARB 0.9183
465 KUF 0.9182
466 43M 0.9178
467 NCA 0.9178
468 1P3 0.9178
469 9KT 0.9177
470 A1U 0.9176
471 34A 0.9175
472 G3E 0.9174
473 SKA 0.9173
474 JAE 0.9171
475 L3Q 0.9170
476 XYD 0.9170
477 0TR 0.9170
478 GCU 0.9170
479 150 0.9169
480 6MH 0.9168
481 PFB 0.9166
482 149 0.9166
483 PRF 0.9165
484 II6 0.9165
485 RIP 0.9162
486 7CZ 0.9162
487 G2F 0.9162
488 2AC 0.9161
489 XBZ 0.9161
490 2CM 0.9161
491 X05 0.9160
492 X09 0.9160
493 3CE 0.9159
494 MRW 0.9158
495 3PF 0.9158
496 NPO 0.9158
497 SHG 0.9158
498 TIU 0.9158
499 3IT 0.9156
500 2MY 0.9155
501 284 0.9153
502 MZG 0.9152
503 OW4 0.9152
504 FLM 0.9151
505 GDE 0.9151
506 DIN 0.9149
507 SYV 0.9149
508 M2K 0.9148
509 IUR 0.9145
510 51R 0.9144
511 4XR 0.9144
512 5QY 0.9144
513 PDC 0.9142
514 A13 0.9142
515 TM7 0.9141
516 RCO 0.9141
517 FPY 0.9141
518 URA 0.9140
519 2YU 0.9139
520 SOE 0.9139
521 CWJ 0.9136
522 GIV 0.9136
523 5JC 0.9135
524 RNS 0.9135
525 4CL 0.9134
526 6NT 0.9134
527 FUF 0.9133
528 KOJ 0.9133
529 FB1 0.9133
530 NIO 0.9132
531 5MH 0.9131
532 BMA 0.9131
533 2ZM 0.9130
534 BBF 0.9130
535 DUB 0.9130
536 ODO 0.9130
537 PZA 0.9129
538 OAA 0.9129
539 BEA 0.9127
540 3DO 0.9125
541 P92 0.9124
542 IP0 0.9124
543 IV2 0.9123
544 3NY 0.9121
545 12M 0.9120
546 LG3 0.9119
547 CYT 0.9117
548 0MK 0.9117
549 GOG 0.9116
550 CRS 0.9114
551 RAM 0.9114
552 AZF 0.9113
553 3FH 0.9112
554 IFM 0.9112
555 KYA 0.9111
556 1F1 0.9110
557 3CH 0.9110
558 K8X 0.9107
559 BCF 0.9107
560 3OC 0.9107
561 MBG 0.9107
562 JZ2 0.9105
563 45C 0.9105
564 2HU 0.9103
565 6PC 0.9102
566 PQ0 0.9102
567 IPB 0.9100
568 KJU 0.9100
569 BAM 0.9100
570 FBT 0.9100
571 ABI 0.9099
572 HT4 0.9099
573 4JJ 0.9097
574 XM0 0.9097
575 FBV 0.9096
576 RIB 0.9096
577 MWJ 0.9093
578 GJS 0.9090
579 TSS 0.9090
580 3Z8 0.9089
581 6NI 0.9087
582 26D 0.9087
583 AUD 0.9086
584 0HN 0.9084
585 TCZ 0.9084
586 OXZ 0.9084
587 209 0.9082
588 VGL 0.9082
589 P3K 0.9081
590 SXS 0.9081
591 PHH 0.9080
592 5RO 0.9079
593 V55 0.9078
594 KBG 0.9078
595 HBA 0.9078
596 4Z4 0.9077
597 8ZE 0.9077
598 GM7 0.9076
599 EYK 0.9074
600 YQA 0.9074
601 7ME 0.9073
602 D48 0.9073
603 6ME 0.9072
604 1GN 0.9072
605 4NC 0.9070
606 WOO 0.9070
607 FPK 0.9069
608 ZVO 0.9066
609 2A9 0.9065
610 H33 0.9065
611 0JD 0.9065
612 J9Q 0.9064
613 SE2 0.9063
614 0HO 0.9063
615 LG5 0.9063
616 27Y 0.9062
617 Z5P 0.9061
618 DHB 0.9061
619 4XV 0.9060
620 BR9 0.9060
621 TOF 0.9060
622 LKA 0.9058
623 AIN 0.9057
624 5NI 0.9056
625 BVF 0.9055
626 IDH 0.9055
627 97T 0.9054
628 PHB 0.9053
629 N2I 0.9052
630 JZ1 0.9052
631 FGZ 0.9052
632 J5I 0.9051
633 FRU 0.9050
634 URQ 0.9049
635 TTY 0.9048
636 MS9 0.9047
637 4HM 0.9046
638 QAS 0.9045
639 4TU 0.9044
640 KDV 0.9043
641 BE7 0.9043
642 BK9 0.9043
643 FBG 0.9043
644 MAN 0.9043
645 NTN 0.9042
646 MWP 0.9042
647 LI6 0.9041
648 F4Z 0.9040
649 14J 0.9039
650 JAW 0.9038
651 DQN 0.9037
652 IBF 0.9037
653 UNU 0.9036
654 NOY 0.9035
655 QAT 0.9033
656 7B3 0.9033
657 XX2 0.9032
658 4M4 0.9032
659 2LP 0.9030
660 EV0 0.9029
661 2MN 0.9029
662 3A9 0.9028
663 LCN 0.9028
664 MQN 0.9028
665 HGQ 0.9028
666 R9S 0.9027
667 QSH 0.9026
668 MYJ 0.9025
669 GIM 0.9025
670 NTZ 0.9024
671 6RQ 0.9023
672 GAF 0.9023
673 GZ8 0.9022
674 8WT 0.9021
675 K5W 0.9021
676 DBX 0.9020
677 FCA 0.9020
678 HNQ 0.9019
679 DUC 0.9018
680 3ZQ 0.9017
681 VOH 0.9016
682 LT2 0.9016
683 GTR 0.9016
684 40O 0.9016
685 3MH 0.9013
686 P9P 0.9012
687 QOS 0.9011
688 INO 0.9010
689 SKM 0.9009
690 2FQ 0.9008
691 RHU 0.9007
692 HLD 0.9007
693 EVA 0.9007
694 H76 0.9006
695 C2A 0.9006
696 PX7 0.9003
697 I1N 0.9003
698 F3B 0.9002
699 URP 0.9002
700 Z82 0.9001
701 4YO 0.9000
702 4JQ 0.9000
703 ALL 0.8999
704 5CL 0.8998
705 94W 0.8998
706 8WO 0.8998
707 BHO 0.8997
708 TLD 0.8994
709 GIF 0.8994
710 PCI 0.8993
711 8GF 0.8993
712 AJV 0.8992
713 NNO 0.8992
714 N7P 0.8991
715 ZZ8 0.8990
716 GXY 0.8990
717 B3R 0.8990
718 J9T 0.8987
719 BSX 0.8987
720 TC7 0.8987
721 AEZ 0.8985
722 280 0.8984
723 3HM 0.8983
724 5GU 0.8983
725 GCB 0.8983
726 15L 0.8982
727 L89 0.8981
728 NDH 0.8980
729 AGK 0.8980
730 PAB 0.8979
731 JB8 0.8978
732 2FY 0.8978
733 2BG 0.8978
734 SRO 0.8978
735 92Z 0.8977
736 X6X 0.8974
737 MNM 0.8973
738 64K 0.8973
739 4VP 0.8971
740 173 0.8971
741 MLT 0.8971
742 HIS 0.8970
743 ISZ 0.8969
744 ZWZ 0.8969
745 CLZ 0.8969
746 CAQ 0.8969
747 FHB 0.8968
748 EUG 0.8968
749 HEW 0.8968
750 CIG 0.8967
751 2HO 0.8967
752 4A3 0.8967
753 DPZ 0.8965
754 1Y6 0.8962
755 PAF 0.8962
756 AC0 0.8961
757 M3T 0.8960
758 G4D 0.8960
759 JTH 0.8960
760 HA7 0.8960
761 0TU 0.8959
762 9TY 0.8958
763 717 0.8957
764 DFU 0.8957
765 N8Y 0.8956
766 OVP 0.8956
767 4H2 0.8952
768 1M2 0.8952
769 JDN 0.8952
770 93K 0.8951
771 GTZ 0.8950
772 AS3 0.8950
773 DMJ 0.8950
774 MVL 0.8948
775 OA3 0.8947
776 PCA 0.8947
777 174 0.8944
778 BSP 0.8942
779 4MA 0.8942
780 KBB 0.8941
781 23W 0.8941
782 PD2 0.8940
783 FP2 0.8939
784 1AN 0.8938
785 HBD 0.8937
786 826 0.8937
787 3R6 0.8936
788 23J 0.8935
789 FQI 0.8934
790 4XS 0.8933
791 TWO 0.8933
792 ARA 0.8933
793 GOO 0.8933
794 BCU 0.8932
795 PA1 0.8932
796 LMR 0.8930
797 2AF 0.8930
798 HHQ 0.8929
799 JXN 0.8928
800 GLT 0.8927
801 P72 0.8927
802 N8P 0.8927
803 8LG 0.8926
804 PEY 0.8925
805 94N 0.8924
806 938 0.8924
807 BEW 0.8923
808 7MU 0.8922
809 9TW 0.8920
810 ABE 0.8920
811 ENL 0.8920
812 NCD 0.8920
813 OXE 0.8919
814 8G0 0.8918
815 GZL 0.8916
816 92P 0.8915
817 O2A 0.8915
818 CHB 0.8914
819 HXX 0.8914
820 0GZ 0.8913
821 YIO 0.8913
822 MZB 0.8913
823 XIY 0.8911
824 GCO 0.8911
825 SW7 0.8910
826 76X 0.8910
827 BDF 0.8909
828 PBZ 0.8908
829 DNF 0.8907
830 9FL 0.8907
831 C2Y 0.8906
832 Q7A 0.8906
833 F31 0.8906
834 SF9 0.8905
835 GXL 0.8905
836 4PW 0.8904
837 K32 0.8903
838 AFR 0.8903
839 SS1 0.8903
840 JZ0 0.8901
841 93Q 0.8901
842 HX3 0.8901
843 QSC 0.8900
844 HTP 0.8899
845 7WR 0.8898
846 XUL 0.8898
847 285 0.8898
848 282 0.8897
849 2MH 0.8897
850 9R5 0.8895
851 GV9 0.8894
852 GTL 0.8893
853 JKZ 0.8893
854 DGJ 0.8893
855 PBC 0.8892
856 2CH 0.8892
857 WOT 0.8890
858 QSB 0.8890
859 MSN 0.8890
860 J1Z 0.8889
861 20J 0.8889
862 PLQ 0.8888
863 K6X 0.8887
864 1DV 0.8886
865 ASC 0.8884
866 1LN 0.8884
867 DNC 0.8883
868 Y8I 0.8883
869 4FA 0.8883
870 XCZ 0.8882
871 K22 0.8881
872 5NE 0.8881
873 X8D 0.8879
874 6X8 0.8879
875 PFL 0.8879
876 FBW 0.8879
877 CFI 0.8879
878 E5X 0.8877
879 52C 0.8875
880 YTB 0.8872
881 FBU 0.8871
882 PZI 0.8871
883 1XX 0.8871
884 0LH 0.8869
885 KPL 0.8869
886 EKZ 0.8866
887 LG4 0.8866
888 GOX 0.8865
889 HTS 0.8863
890 M58 0.8862
891 EJZ 0.8862
892 4P5 0.8862
893 2XX 0.8861
894 DYA 0.8860
895 AMG 0.8860
896 TFU 0.8859
897 PQK 0.8857
898 JLZ 0.8856
899 B5D 0.8856
900 6LW 0.8855
901 FPN 0.8855
902 SRT 0.8853
903 LRH 0.8852
904 KFH 0.8851
905 8XQ 0.8851
906 NVU 0.8850
907 4JU 0.8847
908 FAN 0.8843
909 2LY 0.8843
910 PCR 0.8843
911 DA1 0.8841
912 HQE 0.8840
913 ADA 0.8840
914 HA5 0.8839
915 1U6 0.8839
916 T9G 0.8839
917 JZ4 0.8838
918 GOJ 0.8837
919 8OZ 0.8837
920 PH2 0.8836
921 NEQ 0.8836
922 2F6 0.8833
923 0FN 0.8831
924 PNZ 0.8831
925 HHR 0.8830
926 OTD 0.8829
927 XBT 0.8829
928 SJ5 0.8828
929 15N 0.8827
930 HBX 0.8826
931 E1T 0.8825
932 0F9 0.8825
933 TAR 0.8824
934 Q71 0.8824
935 FDK 0.8823
936 25R 0.8819
937 FPI 0.8819
938 FH2 0.8818
939 CN0 0.8817
940 7N0 0.8817
941 SYA 0.8816
942 PYC 0.8814
943 FOA 0.8814
944 NGO 0.8813
945 IUP 0.8813
946 2KA 0.8811
947 8GK 0.8811
948 TLA 0.8809
949 GLF 0.8809
950 RB5 0.8808
951 6BL 0.8807
952 PXY 0.8806
953 NIZ 0.8805
954 MJ2 0.8804
955 9FE 0.8803
956 94B 0.8803
957 MFU 0.8802
958 GLY PRO 0.8799
959 2PC 0.8798
960 UFV 0.8798
961 1DU 0.8796
962 ZB1 0.8795
963 FHN 0.8794
964 TM4 0.8794
965 ASP 0.8794
966 H3M 0.8793
967 PRY 0.8790
968 MT5 0.8790
969 IFP 0.8789
970 SYN 0.8788
971 9CA 0.8787
972 948 0.8785
973 ABN 0.8785
974 FLC 0.8785
975 H6B 0.8785
976 DEE 0.8783
977 H8N 0.8782
978 YAN 0.8781
979 OMD 0.8777
980 4XX 0.8776
981 PBE 0.8776
982 SOR 0.8776
983 IHB 0.8775
984 PKU 0.8775
985 DS0 0.8774
986 I6G 0.8774
987 60Q 0.8773
988 MZW 0.8773
989 PY7 0.8772
990 39U 0.8771
991 ECE 0.8771
992 F1A 0.8770
993 PYF 0.8768
994 069 0.8768
995 SIF 0.8768
996 1IT 0.8767
997 GT0 0.8767
998 ANN 0.8767
999 ARW 0.8767
1000 RSO 0.8766
1001 JND 0.8765
1002 28N 0.8765
1003 2TQ 0.8764
1004 IT2 0.8764
1005 M4E 0.8763
1006 PRO 0.8762
1007 HIO 0.8761
1008 FBA 0.8760
1009 DHR 0.8760
1010 TGX 0.8760
1011 4CH 0.8757
1012 ITN 0.8754
1013 226 0.8753
1014 OHP 0.8753
1015 C21 0.8752
1016 3AL 0.8750
1017 PBA 0.8750
1018 278 0.8749
1019 JU2 0.8746
1020 5WU 0.8746
1021 X0V 0.8746
1022 HPY 0.8746
1023 6HQ 0.8745
1024 V6F 0.8744
1025 SVD 0.8744
1026 XXP 0.8744
1027 FLV 0.8742
1028 3BU 0.8741
1029 1U1 0.8740
1030 1AL 0.8738
1031 AC6 0.8738
1032 1X7 0.8737
1033 MAK 0.8736
1034 PEZ 0.8735
1035 260 0.8732
1036 MHK 0.8731
1037 15E 0.8731
1038 R9Y 0.8730
1039 4HS 0.8728
1040 LYL 0.8727
1041 TP5 0.8725
1042 FA3 0.8725
1043 BML 0.8724
1044 NBE 0.8722
1045 RD4 0.8722
1046 JBN 0.8721
1047 FCR 0.8720
1048 4JN 0.8720
1049 7D2 0.8720
1050 LDR 0.8719
1051 DNA 0.8718
1052 4KL 0.8715
1053 FLA 0.8715
1054 9ZE 0.8714
1055 4JM 0.8713
1056 FDR 0.8713
1057 ZZZ 0.8713
1058 6OT 0.8710
1059 TMT 0.8704
1060 B2J 0.8704
1061 IF7 0.8703
1062 LDP 0.8700
1063 MMA 0.8700
1064 KP6 0.8699
1065 091 0.8699
1066 LT8 0.8697
1067 RMN 0.8692
1068 J01 0.8690
1069 XYL 0.8690
1070 3CU 0.8689
1071 51F 0.8689
1072 TMZ 0.8687
1073 ICC 0.8686
1074 CGB 0.8684
1075 AEF 0.8683
1076 R2B 0.8680
1077 4JL 0.8679
1078 H62 0.8679
1079 SR1 0.8676
1080 A65 0.8676
1081 BNT 0.8673
1082 H5B 0.8673
1083 AX3 0.8673
1084 DHS 0.8673
1085 NXA 0.8672
1086 9AP 0.8670
1087 EMZ 0.8670
1088 FBM 0.8669
1089 2PG 0.8667
1090 4FH 0.8664
1091 DQA 0.8664
1092 FUB 0.8663
1093 CRN 0.8662
1094 HQJ 0.8661
1095 95Z 0.8661
1096 TT4 0.8660
1097 TZE 0.8660
1098 E3D 0.8658
1099 LFR 0.8657
1100 06B 0.8655
1101 TZC 0.8654
1102 8W9 0.8653
1103 7WG 0.8652
1104 UFO 0.8651
1105 OW7 0.8650
1106 SAN 0.8650
1107 7MX 0.8649
1108 O7U 0.8646
1109 1MR 0.8646
1110 39O 0.8643
1111 BPU 0.8643
1112 ONR 0.8643
1113 6JN 0.8640
1114 TSU 0.8640
1115 AAS 0.8638
1116 ZBT 0.8635
1117 YHO 0.8634
1118 5NS 0.8631
1119 3C2 0.8630
1120 FB2 0.8627
1121 FA1 0.8624
1122 TRA 0.8621
1123 4WL 0.8618
1124 265 0.8618
1125 SF6 0.8616
1126 SN4 0.8614
1127 G12 0.8612
1128 IOL 0.8611
1129 3C1 0.8610
1130 K34 0.8610
1131 1DQ 0.8608
1132 GCV 0.8607
1133 RUU 0.8604
1134 3V4 0.8601
1135 259 0.8599
1136 8NX 0.8597
1137 4P0 0.8594
1138 NSG 0.8592
1139 JZ5 0.8592
1140 ICF 0.8591
1141 ASN 0.8591
1142 293 0.8590
1143 YRL 0.8590
1144 9X7 0.8589
1145 OK7 0.8589
1146 4TE 0.8588
1147 8HC 0.8587
1148 PEP 0.8582
1149 L99 0.8580
1150 ZXD 0.8577
1151 HKD 0.8573
1152 BZ2 0.8573
1153 PHU 0.8572
1154 AA 0.8570
1155 18N 0.8570
1156 TEO 0.8570
1157 F9P 0.8564
1158 LDU 0.8562
1159 OHG 0.8561
1160 K97 0.8558
1161 SS2 0.8556
1162 6KT 0.8552
1163 HYP 0.8548
1164 EDR 0.8548
1165 AH8 0.8545
1166 M5N 0.8530
1167 J6W 0.8526
1168 PBR 0.8525
1169 SMN 0.8511
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2A0W; Ligand: DIH; 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: 2a0w.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2A0W; Ligand: DIH; 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: 2a0w.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2A0W; Ligand: DIH; 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: 2a0w.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
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