Receptor
PDB id Resolution Class Description Source Keywords
1L4M 2 Å EC: 2.4.2.21 CRYSTAL STRUCTURE OF COBT COMPLEXED WITH 2-AMINO-P-CRESOL AN NICOTINATE MONONUCLEOTIDE SALMONELLA ENTERICA COBT COBALAMIN SYNTHETIC ENZYME PHOSPHORIBOSYLTRANSFERASEDIMETHYLBENZIMIDAZOLE NICOTINATE MONONUCLEOTIDE TRANSFERA
Ref.: CAPTURE OF A LABILE SUBSTRATE BY EXPULSION OF WATER MOLECULES FROM THE ACTIVE SITE OF NICOTINATE MONONUCLEOTIDE:5,6-DIMETHYLBENZIMIDAZOLE PHOSPHORIBOSYLTRANSFERASE (COBT) FROM SALMONELLA EN J.BIOL.CHEM. V. 277 41120 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
2AC A:990;
 Valid;
 none;
 submit data
123.152 C7 H9 N O Cc1cc...
NCN A:991;
 Valid;
 none;
 submit data
335.204 C11 H14 N O9 P c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4KQI 1.4 Å EC: 2.4.2.21 CRYSTAL STRUCTURE OF COBT E317A COMPLEXED WITH ITS REACTION SALMONELLA ENTERICA SUBSP. ENTERICA SETYPHIMURIUM TRANSFERASE
Ref.: DISSECTING COBAMIDE DIVERSITY THROUGH STRUCTURAL AN FUNCTIONAL ANALYSES OF THE BASE-ACTIVATING COBT ENZ SALMONELLA ENTERICA. BIOCHIM.BIOPHYS.ACTA V.1840 464 2014
Members (31)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1L4G - NCN C11 H14 N O9 P c1cc(c[n+]....
2 1D0S - DMD C9 H10 N2 Cc1cc2c(cc....
3 1L4K - NCN C11 H14 N O9 P c1cc(c[n+]....
4 4KQF - ADE C5 H5 N5 c1[nH]c2c(....
5 4KQJ - PCR C7 H8 O Cc1ccc(cc1....
6 1L4F - NCN C11 H14 N O9 P c1cc(c[n+]....
7 1JHV - PCR C7 H8 O Cc1ccc(cc1....
8 4KQG - DMD C9 H10 N2 Cc1cc2c(cc....
9 1L4N - NIO C6 H5 N O2 c1cc(cnc1)....
10 1JHM - 5MB C8 H8 N2 Cc1ccc2c(c....
11 1JHU - PCR C7 H8 O Cc1ccc(cc1....
12 1JH8 - ADE C5 H5 N5 c1[nH]c2c(....
13 1L4M - NCN C11 H14 N O9 P c1cc(c[n+]....
14 1L5L - NIO C6 H5 N O2 c1cc(cnc1)....
15 1L4L - XYD C8 H11 N Cc1ccc(c(c....
16 1JHQ - PMO C13 H17 N2 O8 P COc1ccc2c(....
17 1L5K - NIO C6 H5 N O2 c1cc(cnc1)....
18 1JHP - 5OB C8 H8 N2 O COc1ccc2c(....
19 1JHY - NIO C6 H5 N O2 c1cc(cnc1)....
20 1L5M - NIO C6 H5 N O2 c1cc(cnc1)....
21 1JHA - NIO C6 H5 N O2 c1cc(cnc1)....
22 1JHX - IPH C6 H6 O c1ccc(cc1)....
23 1JHO - RMB C13 H17 N2 O7 P Cc1ccc2c(c....
24 1JHR - P2P C10 H13 N4 O8 P c1c2c(ncn2....
25 1L4E - RBZ C14 H19 N2 O7 P Cc1cc2c(cc....
26 4KQK - PCR C7 H8 O Cc1ccc(cc1....
27 1D0V - RBZ C14 H19 N2 O7 P Cc1cc2c(cc....
28 1L5O - NCN C11 H14 N O9 P c1cc(c[n+]....
29 1L5F - BZI C7 H6 N2 c1ccc2c(c1....
30 1L4H - NCN C11 H14 N O9 P c1cc(c[n+]....
31 4KQI - NIO C6 H5 N O2 c1cc(cnc1)....
70% Homology Family (31)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1L4G - NCN C11 H14 N O9 P c1cc(c[n+]....
2 1D0S - DMD C9 H10 N2 Cc1cc2c(cc....
3 1L4K - NCN C11 H14 N O9 P c1cc(c[n+]....
4 4KQF - ADE C5 H5 N5 c1[nH]c2c(....
5 4KQJ - PCR C7 H8 O Cc1ccc(cc1....
6 1L4F - NCN C11 H14 N O9 P c1cc(c[n+]....
7 1JHV - PCR C7 H8 O Cc1ccc(cc1....
8 4KQG - DMD C9 H10 N2 Cc1cc2c(cc....
9 1L4N - NIO C6 H5 N O2 c1cc(cnc1)....
10 1JHM - 5MB C8 H8 N2 Cc1ccc2c(c....
11 1JHU - PCR C7 H8 O Cc1ccc(cc1....
12 1JH8 - ADE C5 H5 N5 c1[nH]c2c(....
13 1L4M - NCN C11 H14 N O9 P c1cc(c[n+]....
14 1L5L - NIO C6 H5 N O2 c1cc(cnc1)....
15 1L4L - XYD C8 H11 N Cc1ccc(c(c....
16 1JHQ - PMO C13 H17 N2 O8 P COc1ccc2c(....
17 1L5K - NIO C6 H5 N O2 c1cc(cnc1)....
18 1JHP - 5OB C8 H8 N2 O COc1ccc2c(....
19 1JHY - NIO C6 H5 N O2 c1cc(cnc1)....
20 1L5M - NIO C6 H5 N O2 c1cc(cnc1)....
21 1JHA - NIO C6 H5 N O2 c1cc(cnc1)....
22 1JHX - IPH C6 H6 O c1ccc(cc1)....
23 1JHO - RMB C13 H17 N2 O7 P Cc1ccc2c(c....
24 1JHR - P2P C10 H13 N4 O8 P c1c2c(ncn2....
25 1L4E - RBZ C14 H19 N2 O7 P Cc1cc2c(cc....
26 4KQK - PCR C7 H8 O Cc1ccc(cc1....
27 1D0V - RBZ C14 H19 N2 O7 P Cc1cc2c(cc....
28 1L5O - NCN C11 H14 N O9 P c1cc(c[n+]....
29 1L5F - BZI C7 H6 N2 c1ccc2c(c1....
30 1L4H - NCN C11 H14 N O9 P c1cc(c[n+]....
31 4KQI - NIO C6 H5 N O2 c1cc(cnc1)....
50% Homology Family (31)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1L4G - NCN C11 H14 N O9 P c1cc(c[n+]....
2 1D0S - DMD C9 H10 N2 Cc1cc2c(cc....
3 1L4K - NCN C11 H14 N O9 P c1cc(c[n+]....
4 4KQF - ADE C5 H5 N5 c1[nH]c2c(....
5 4KQJ - PCR C7 H8 O Cc1ccc(cc1....
6 1L4F - NCN C11 H14 N O9 P c1cc(c[n+]....
7 1JHV - PCR C7 H8 O Cc1ccc(cc1....
8 4KQG - DMD C9 H10 N2 Cc1cc2c(cc....
9 1L4N - NIO C6 H5 N O2 c1cc(cnc1)....
10 1JHM - 5MB C8 H8 N2 Cc1ccc2c(c....
11 1JHU - PCR C7 H8 O Cc1ccc(cc1....
12 1JH8 - ADE C5 H5 N5 c1[nH]c2c(....
13 1L4M - NCN C11 H14 N O9 P c1cc(c[n+]....
14 1L5L - NIO C6 H5 N O2 c1cc(cnc1)....
15 1L4L - XYD C8 H11 N Cc1ccc(c(c....
16 1JHQ - PMO C13 H17 N2 O8 P COc1ccc2c(....
17 1L5K - NIO C6 H5 N O2 c1cc(cnc1)....
18 1JHP - 5OB C8 H8 N2 O COc1ccc2c(....
19 1JHY - NIO C6 H5 N O2 c1cc(cnc1)....
20 1L5M - NIO C6 H5 N O2 c1cc(cnc1)....
21 1JHA - NIO C6 H5 N O2 c1cc(cnc1)....
22 1JHX - IPH C6 H6 O c1ccc(cc1)....
23 1JHO - RMB C13 H17 N2 O7 P Cc1ccc2c(c....
24 1JHR - P2P C10 H13 N4 O8 P c1c2c(ncn2....
25 1L4E - RBZ C14 H19 N2 O7 P Cc1cc2c(cc....
26 4KQK - PCR C7 H8 O Cc1ccc(cc1....
27 1D0V - RBZ C14 H19 N2 O7 P Cc1cc2c(cc....
28 1L5O - NCN C11 H14 N O9 P c1cc(c[n+]....
29 1L5F - BZI C7 H6 N2 c1ccc2c(c1....
30 1L4H - NCN C11 H14 N O9 P c1cc(c[n+]....
31 4KQI - NIO C6 H5 N O2 c1cc(cnc1)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 2AC; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 2AC 1 1
2 XYD 0.571429 0.6
3 MCT 0.482759 0.615385
4 4M0 0.405405 0.655172
5 ZZT 0.4 0.777778
Ligand no: 2; Ligand: NCN; Similar ligands found: 18
No: Ligand ECFP6 Tc MDL keys Tc
1 NCN 1 1
2 NMN 0.647887 0.892308
3 DND 0.53 0.808219
4 NNR 0.492958 0.742424
5 8ID 0.462264 0.74359
6 A7R 0.45098 0.794521
7 NAD IBO 0.435185 0.791667
8 NAD TDB 0.435185 0.791667
9 NAJ 0.432432 0.780822
10 NAD 0.424779 0.805556
11 NHD 0.424779 0.805556
12 NFD 0.417391 0.763158
13 A3D 0.417391 0.794521
14 NGD 0.414414 0.74359
15 NBP 0.413223 0.74359
16 AMP NAD 0.412281 0.805556
17 N01 0.401709 0.780822
18 NDO 0.4 0.794521
Similar Ligands (3D)
Ligand no: 1; Ligand: 2AC; Similar ligands found: 1037
No: Ligand Similarity coefficient
1 4JJ 1.0000
2 1MC 1.0000
3 MZG 1.0000
4 MWM 1.0000
5 TDR 1.0000
6 URF 1.0000
7 4HO 1.0000
8 XBZ 0.9999
9 TH0 0.9998
10 A1U 0.9993
11 4ZE 0.9993
12 BR9 0.9991
13 ICP 0.9990
14 QOS 0.9989
15 JZ2 0.9989
16 MWJ 0.9989
17 2YU 0.9989
18 34A 0.9978
19 43M 0.9978
20 4CL 0.9975
21 2MP 0.9968
22 5MH 0.9966
23 WBU 0.9965
24 5JC 0.9963
25 PYD 0.9960
26 TM7 0.9956
27 5UC 0.9951
28 27Y 0.9950
29 HT4 0.9947
30 4JO 0.9903
31 Y8I 0.9901
32 XYP 0.9898
33 LXC 0.9889
34 TLD 0.9873
35 IUR 0.9822
36 3ZQ 0.9801
37 AHR 0.9794
38 4XR 0.9792
39 RCO 0.9753
40 4JU 0.9729
41 1PT 0.9719
42 40O 0.9717
43 3CH 0.9715
44 XYS 0.9715
45 FPY 0.9714
46 CRS 0.9710
47 LG3 0.9705
48 284 0.9705
49 URA 0.9704
50 2MH 0.9695
51 LG5 0.9693
52 CYT 0.9690
53 CAQ 0.9689
54 26D 0.9681
55 OXE 0.9677
56 RIP 0.9667
57 HMH 0.9653
58 L89 0.9646
59 24B 0.9646
60 IDH 0.9645
61 8GF 0.9638
62 3Z7 0.9634
63 150 0.9633
64 BVF 0.9632
65 CIG 0.9622
66 1WG 0.9621
67 0MK 0.9621
68 2CQ 0.9620
69 FYU 0.9619
70 HQE 0.9614
71 NSP 0.9612
72 PCR 0.9610
73 PXY 0.9608
74 M3T 0.9607
75 FUC 0.9607
76 FUL 0.9607
77 92Z 0.9606
78 G6D 0.9606
79 LG4 0.9602
80 T6C 0.9602
81 25R 0.9601
82 JIF 0.9600
83 2AF 0.9598
84 0TR 0.9597
85 35C 0.9595
86 RSF 0.9594
87 8LG 0.9592
88 PLQ 0.9587
89 BEW 0.9587
90 FPN 0.9586
91 7MH 0.9584
92 F4Z 0.9583
93 NK 0.9582
94 B3R 0.9578
95 JZ0 0.9577
96 7CZ 0.9577
97 1AN 0.9575
98 HEW 0.9574
99 285 0.9574
100 8H8 0.9573
101 4HS 0.9572
102 FP2 0.9571
103 4ZC 0.9567
104 ARB 0.9567
105 DA1 0.9566
106 DFU 0.9564
107 1DW 0.9563
108 282 0.9563
109 4H2 0.9562
110 HX3 0.9562
111 DEN 0.9562
112 FPI 0.9562
113 DUC 0.9561
114 2CH 0.9557
115 45C 0.9552
116 93Q 0.9551
117 4CH 0.9549
118 76X 0.9547
119 CYH 0.9545
120 HTS 0.9544
121 ADE 0.9543
122 KOJ 0.9541
123 HPA 0.9538
124 BZF 0.9538
125 TC7 0.9537
126 AMC 0.9537
127 BZX 0.9536
128 0R0 0.9534
129 JFD 0.9530
130 23A 0.9530
131 SWD 0.9528
132 BML 0.9526
133 GLC 0.9526
134 BTE 0.9522
135 938 0.9522
136 TH7 0.9522
137 JZ3 0.9521
138 4JN 0.9518
139 IND 0.9516
140 HGQ 0.9515
141 BZI 0.9514
142 PYG 0.9514
143 GVH 0.9504
144 HBA 0.9504
145 YAN 0.9501
146 25W 0.9497
147 SYN 0.9496
148 10L 0.9494
149 9DA 0.9494
150 DFB 0.9489
151 9HX 0.9486
152 6AI 0.9485
153 4XX 0.9485
154 XXR 0.9484
155 3XX 0.9481
156 TMT 0.9478
157 H3M 0.9478
158 PM6 0.9475
159 J1Z 0.9474
160 CXL 0.9474
161 IOL 0.9473
162 LZ1 0.9473
163 0R1 0.9472
164 7HP 0.9471
165 PHB 0.9471
166 HBX 0.9471
167 MPI 0.9469
168 HAI 0.9469
169 TMZ 0.9466
170 0CT 0.9466
171 ES4 0.9465
172 TBP 0.9462
173 HHQ 0.9460
174 FCA 0.9460
175 6MP 0.9458
176 HPY 0.9458
177 7WA 0.9457
178 ECE 0.9453
179 5H1 0.9452
180 IDM 0.9452
181 HMU 0.9450
182 Q88 0.9446
183 14O 0.9444
184 PY7 0.9443
185 9EW 0.9442
186 3MC 0.9440
187 ABN 0.9440
188 6X8 0.9438
189 HLR 0.9435
190 4JP 0.9434
191 F05 0.9430
192 RIB 0.9430
193 BP1 0.9428
194 270 0.9428
195 F81 0.9427
196 MBD 0.9423
197 DUB 0.9423
198 3FA 0.9421
199 AX7 0.9420
200 ES0 0.9418
201 1XX 0.9413
202 CWM 0.9413
203 NOJ 0.9410
204 2C9 0.9409
205 ES9 0.9407
206 5MB 0.9404
207 ABE 0.9404
208 5MI 0.9399
209 SAL 0.9398
210 GMN 0.9397
211 F60 0.9395
212 0RW 0.9395
213 6MH 0.9394
214 FFP 0.9392
215 V55 0.9390
216 BGC 0.9389
217 11S 0.9388
218 SVN 0.9388
219 MLT 0.9384
220 C2B 0.9383
221 M1A 0.9382
222 2K4 0.9382
223 OXQ 0.9382
224 ABV 0.9381
225 2MY 0.9380
226 FK1 0.9377
227 PYF 0.9377
228 H8N 0.9377
229 64K 0.9377
230 3CE 0.9376
231 ISN 0.9375
232 2MI 0.9374
233 HIU 0.9373
234 H4N 0.9371
235 ADZ 0.9371
236 YCP 0.9371
237 F5B 0.9367
238 4M4 0.9367
239 BEZ 0.9361
240 FLM 0.9359
241 IPH 0.9353
242 2CM 0.9352
243 XQ0 0.9352
244 NPY 0.9351
245 4VP 0.9350
246 AZF 0.9350
247 IFM 0.9350
248 ICC 0.9349
249 QUZ 0.9348
250 GXE 0.9345
251 6M9 0.9344
252 KKN 0.9342
253 FUF 0.9341
254 6M4 0.9341
255 5AN 0.9338
256 DGJ 0.9337
257 AX2 0.9335
258 F0J 0.9334
259 9X7 0.9334
260 1P7 0.9333
261 286 0.9333
262 6PC 0.9333
263 BEN 0.9331
264 7W4 0.9329
265 C2A 0.9329
266 YHO 0.9326
267 MBN 0.9323
268 23W 0.9323
269 S76 0.9317
270 NBZ 0.9316
271 NCA 0.9316
272 67N 0.9315
273 BR8 0.9315
274 GBD 0.9314
275 2DR 0.9314
276 BAM 0.9314
277 WOT 0.9312
278 3AP 0.9311
279 4HM 0.9309
280 LMR 0.9308
281 P3K 0.9308
282 G4D 0.9308
283 5NU 0.9308
284 G3F 0.9308
285 BE2 0.9304
286 RAM 0.9304
287 7B4 0.9302
288 G2F 0.9302
289 1LM 0.9299
290 OXZ 0.9298
291 3U4 0.9297
292 13X 0.9295
293 JZ1 0.9295
294 1SQ 0.9294
295 24W 0.9294
296 5WV 0.9293
297 N5J 0.9293
298 XM0 0.9293
299 5Q0 0.9292
300 GYE 0.9292
301 4AP 0.9291
302 2AP 0.9291
303 2IM 0.9290
304 NEQ 0.9289
305 6UA 0.9288
306 GCS 0.9288
307 HVK 0.9287
308 2D0 0.9286
309 3F0 0.9286
310 3M0 0.9286
311 FCB 0.9286
312 1LQ 0.9285
313 ES6 0.9283
314 1MR 0.9282
315 NIO 0.9282
316 ES1 0.9281
317 HRZ 0.9281
318 JPZ 0.9280
319 1NP 0.9279
320 5SG 0.9279
321 DTL 0.9279
322 O72 0.9278
323 9PO 0.9278
324 DBH 0.9277
325 ES7 0.9275
326 5IQ 0.9275
327 8CL 0.9274
328 KIV 0.9274
329 4YS 0.9273
330 4JL 0.9273
331 FE DB1 0.9272
332 HQY 0.9271
333 3HA 0.9269
334 SOE 0.9268
335 JAE 0.9267
336 JBH 0.9266
337 6HQ 0.9265
338 5ZE 0.9264
339 9DG 0.9264
340 WDL 0.9263
341 2ZX 0.9262
342 B53 0.9260
343 JZ9 0.9260
344 HY3 0.9259
345 3MH 0.9258
346 8S0 0.9257
347 5B1 0.9256
348 COU 0.9256
349 3AY 0.9255
350 MAK 0.9255
351 280 0.9252
352 OAA 0.9251
353 PRO 0.9248
354 6CS 0.9247
355 4NC 0.9246
356 03V 0.9243
357 ARA 0.9243
358 GAL 0.9243
359 8NY 0.9242
360 TTO 0.9242
361 TM4 0.9242
362 R2B 0.9241
363 2KT 0.9241
364 FOA 0.9241
365 FBA 0.9240
366 AZA 0.9239
367 NOY 0.9239
368 GUN 0.9239
369 94N 0.9238
370 4SV 0.9238
371 LGA 0.9238
372 265 0.9238
373 EUG 0.9237
374 YTB 0.9236
375 PZA 0.9233
376 RM4 0.9230
377 DGY 0.9230
378 5RG 0.9229
379 275 0.9227
380 8GC 0.9226
381 JB5 0.9225
382 NTN 0.9225
383 24T 0.9223
384 2AQ 0.9222
385 12M 0.9221
386 2A9 0.9220
387 4FS 0.9220
388 GAB 0.9218
389 LDU 0.9218
390 3DM 0.9217
391 DHB 0.9216
392 2CK 0.9216
393 HHN 0.9216
394 3RK 0.9215
395 PYC 0.9215
396 GAG 0.9212
397 VGL 0.9212
398 CYS 0.9212
399 XAN 0.9210
400 H42 0.9206
401 FA0 0.9205
402 JBE 0.9205
403 OHG 0.9205
404 ERH 0.9204
405 L3Q 0.9204
406 3ID 0.9201
407 25T 0.9200
408 60P 0.9199
409 CEJ 0.9199
410 MFB 0.9198
411 2PC 0.9198
412 INO 0.9197
413 5CU 0.9197
414 VNJ 0.9197
415 4CS 0.9197
416 SS1 0.9197
417 MYJ 0.9196
418 HH8 0.9195
419 A2Q 0.9195
420 RM1 0.9194
421 2XX 0.9193
422 3HB 0.9193
423 4A3 0.9192
424 DMD 0.9191
425 UNU 0.9191
426 IFL 0.9191
427 3DO 0.9191
428 XX2 0.9190
429 4XH 0.9190
430 DMG 0.9190
431 MB3 0.9189
432 ES5 0.9187
433 P9P 0.9187
434 GTQ 0.9186
435 1DH 0.9186
436 RNS 0.9186
437 TP5 0.9185
438 APY 0.9184
439 DSN 0.9184
440 AC0 0.9183
441 R8A 0.9182
442 5HN 0.9182
443 1AB 0.9181
444 VAL 0.9179
445 DXX 0.9177
446 DOB 0.9177
447 7HQ 0.9176
448 6AP 0.9176
449 3HM 0.9175
450 IGA 0.9174
451 HGW 0.9173
452 PYJ 0.9173
453 RSO 0.9173
454 EDG 0.9172
455 I3A 0.9171
456 93K 0.9170
457 URQ 0.9170
458 PIH 0.9169
459 IT2 0.9169
460 R8S 0.9168
461 54G 0.9167
462 NNO 0.9166
463 2A7 0.9165
464 1XM 0.9162
465 A2F 0.9161
466 BHO 0.9161
467 CIZ 0.9161
468 5M0 0.9160
469 HSE 0.9160
470 E60 0.9159
471 KG7 0.9159
472 IF7 0.9159
473 FHB 0.9158
474 KYD 0.9157
475 KSW 0.9156
476 5AC 0.9152
477 3NT 0.9151
478 7EX 0.9151
479 PCA 0.9151
480 ASO 0.9150
481 717 0.9150
482 BHA 0.9149
483 OCH 0.9149
484 290 0.9149
485 DTI 0.9149
486 ADK 0.9149
487 MZW 0.9149
488 261 0.9149
489 82I 0.9148
490 141 0.9147
491 4JM 0.9146
492 CFP 0.9145
493 DX4 0.9144
494 HH5 0.9143
495 C5J 0.9143
496 2H5 0.9142
497 BCP 0.9140
498 42A 0.9139
499 EXO 0.9138
500 LZM 0.9136
501 SER 0.9136
502 2HO 0.9134
503 GLA 0.9134
504 TCZ 0.9131
505 2EC 0.9131
506 FAN 0.9130
507 BOA 0.9129
508 ISE 0.9129
509 FDB 0.9127
510 3MA 0.9126
511 YH7 0.9126
512 HSL 0.9125
513 MZ0 0.9125
514 0CU 0.9123
515 JKE 0.9122
516 1WD 0.9121
517 5CL 0.9121
518 0W8 0.9121
519 53C 0.9120
520 1XN 0.9119
521 BP9 0.9119
522 3PY 0.9119
523 5MK 0.9118
524 MLI 0.9117
525 AZG 0.9116
526 FP1 0.9116
527 H76 0.9116
528 9TZ 0.9115
529 PBC 0.9115
530 SMV 0.9114
531 1DU 0.9114
532 CHB 0.9113
533 QSC 0.9113
534 3SK 0.9113
535 3AB 0.9112
536 AGK 0.9110
537 SX1 0.9108
538 BE7 0.9107
539 9CL 0.9106
540 NPO 0.9105
541 M58 0.9104
542 EQT 0.9103
543 OVV 0.9102
544 5OB 0.9101
545 QSB 0.9101
546 47J 0.9101
547 7VJ 0.9100
548 MNM 0.9099
549 5XC 0.9092
550 273 0.9092
551 URC 0.9091
552 2FG 0.9090
553 6LW 0.9088
554 MLA 0.9087
555 BTY 0.9084
556 CRN 0.9084
557 DAB 0.9083
558 GIV 0.9083
559 INS 0.9082
560 JBN 0.9081
561 NVI 0.9081
562 93B 0.9080
563 TAR 0.9080
564 WCE 0.9079
565 GIO 0.9079
566 TZC 0.9078
567 B55 0.9078
568 14J 0.9078
569 ASP 0.9077
570 MMZ 0.9076
571 ALL 0.9071
572 9TW 0.9070
573 HHA 0.9070
574 0P6 0.9070
575 HYN 0.9069
576 DTU 0.9069
577 36R 0.9068
578 PZI 0.9067
579 CWS 0.9066
580 LCN 0.9065
581 X6X 0.9065
582 ASN 0.9065
583 5VM 0.9063
584 9TY 0.9061
585 NIZ 0.9061
586 L60 0.9060
587 7WV 0.9056
588 149 0.9056
589 8TX 0.9055
590 1P8 0.9052
591 ET2 0.9052
592 MR1 0.9052
593 278 0.9051
594 KUF 0.9050
595 75K 0.9048
596 TFB 0.9047
597 KJY 0.9046
598 IPB 0.9045
599 BZ3 0.9045
600 URP 0.9044
601 M1E 0.9043
602 GOO 0.9043
603 C21 0.9042
604 PXL 0.9042
605 6F0 0.9041
606 JAB 0.9038
607 9MG 0.9038
608 DHK 0.9038
609 GIF 0.9036
610 XBT 0.9036
611 ZZ3 0.9035
612 PAB 0.9035
613 KT7 0.9031
614 M2H 0.9031
615 PAF 0.9031
616 B57 0.9030
617 3BZ 0.9029
618 BRT 0.9029
619 2ZV 0.9028
620 CLW 0.9027
621 MAN 0.9026
622 ITN 0.9026
623 VNL 0.9024
624 8CM 0.9022
625 BSX 0.9021
626 GRE 0.9021
627 A7W 0.9021
628 XIX 0.9019
629 IP0 0.9018
630 RUU 0.9018
631 NMJ 0.9018
632 86J 0.9016
633 P92 0.9012
634 FOT 0.9011
635 6M1 0.9011
636 O7U 0.9010
637 MRY 0.9010
638 V1L 0.9009
639 IHB 0.9008
640 PEA 0.9007
641 LRH 0.9004
642 GAF 0.9004
643 GXY 0.9003
644 YIO 0.9003
645 QBK 0.9000
646 Z82 0.9000
647 R8V 0.8999
648 ES2 0.8998
649 XIY 0.8998
650 XQG 0.8996
651 XAZ 0.8996
652 PA1 0.8996
653 DIE 0.8992
654 R1X 0.8991
655 ABA 0.8991
656 MAE 0.8991
657 GXL 0.8988
658 UNC 0.8987
659 WOO 0.8986
660 P72 0.8985
661 PBZ 0.8985
662 Z6J 0.8984
663 ISZ 0.8984
664 BVC 0.8983
665 1P3 0.8983
666 VGD 0.8981
667 260 0.8980
668 FBB 0.8978
669 K2T 0.8978
670 FQI 0.8977
671 JBK 0.8976
672 8IG 0.8973
673 5JL 0.8972
674 ALO 0.8970
675 DMJ 0.8970
676 5JQ 0.8967
677 1GN 0.8967
678 KBG 0.8966
679 VOH 0.8965
680 HBD 0.8964
681 1Y6 0.8963
682 54D 0.8961
683 ORO 0.8961
684 SEJ 0.8961
685 AC6 0.8960
686 PE0 0.8959
687 PXM 0.8959
688 FRU 0.8959
689 LER 0.8958
690 UEG 0.8958
691 7WG 0.8957
692 QWN 0.8956
693 BMA 0.8954
694 9YL 0.8953
695 E7Z 0.8952
696 MEW 0.8952
697 DMI 0.8950
698 SS2 0.8950
699 HJP 0.8949
700 MRW 0.8946
701 MBG 0.8946
702 2HQ 0.8944
703 8WO 0.8944
704 FLA 0.8944
705 4AA 0.8943
706 F9Y 0.8943
707 3OC 0.8943
708 THR 0.8943
709 IMR 0.8942
710 4MA 0.8940
711 LGC 0.8940
712 8WT 0.8939
713 7W1 0.8937
714 HFB 0.8937
715 SJ5 0.8936
716 XUL 0.8934
717 HCS 0.8934
718 SWA 0.8933
719 LDP 0.8932
720 PFB 0.8932
721 ICF 0.8931
722 SHG 0.8931
723 4JT 0.8930
724 CXF 0.8930
725 12Q 0.8927
726 DOR 0.8926
727 BCF 0.8920
728 FUB 0.8920
729 Q24 0.8918
730 6GU 0.8918
731 4FA 0.8918
732 AZ8 0.8916
733 174 0.8916
734 HVQ 0.8913
735 M6N 0.8911
736 3Z8 0.8910
737 1M2 0.8908
738 FDK 0.8908
739 IV2 0.8907
740 ZBT 0.8907
741 69O 0.8906
742 BBF 0.8906
743 F31 0.8905
744 39A 0.8904
745 UGC 0.8901
746 C2U 0.8901
747 DIN 0.8899
748 BNS 0.8899
749 5QX 0.8897
750 42J 0.8897
751 AUD 0.8895
752 XRG 0.8893
753 M5K 0.8893
754 PEL 0.8893
755 32O 0.8891
756 OXC 0.8890
757 KPL 0.8890
758 BDP 0.8890
759 AQO 0.8888
760 IJZ 0.8887
761 TTL 0.8887
762 CGB 0.8886
763 BVG 0.8886
764 QXW 0.8884
765 HQT 0.8884
766 5RN 0.8884
767 SKM 0.8883
768 GLU 0.8883
769 32X 0.8879
770 MWP 0.8879
771 826 0.8877
772 2LP 0.8875
773 AJ2 0.8875
774 3SL 0.8875
775 DQN 0.8874
776 4AX 0.8870
777 P2D 0.8869
778 GDE 0.8865
779 F3B 0.8861
780 SKA 0.8861
781 J9W 0.8860
782 FPK 0.8858
783 EKZ 0.8857
784 HSM 0.8856
785 CFI 0.8855
786 4Z4 0.8854
787 D1X 0.8853
788 MO8 0.8851
789 M1Q 0.8851
790 TZE 0.8850
791 4HC 0.8849
792 40E 0.8849
793 4PW 0.8849
794 SRT 0.8849
795 IBF 0.8848
796 3WA 0.8848
797 95Z 0.8848
798 PRS 0.8847
799 KJH 0.8845
800 DYA 0.8845
801 AEF 0.8844
802 NXA 0.8844
803 PCI 0.8842
804 A3B 0.8841
805 DBB 0.8841
806 HIO 0.8841
807 MSN 0.8840
808 MT0 0.8836
809 2BG 0.8836
810 G3E 0.8836
811 UY7 0.8835
812 AAE 0.8834
813 DAS 0.8833
814 2RA 0.8833
815 FH2 0.8833
816 M0W 0.8833
817 FBM 0.8832
818 JBQ 0.8830
819 NVA 0.8830
820 3PF 0.8830
821 EA1 0.8828
822 DCY 0.8828
823 HXX 0.8826
824 DRL 0.8825
825 IPZ 0.8824
826 5QY 0.8823
827 NDM 0.8822
828 TEO 0.8822
829 SHA 0.8821
830 A65 0.8821
831 DIU 0.8820
832 HZQ 0.8819
833 G5V 0.8818
834 SW7 0.8818
835 7NI 0.8818
836 F9P 0.8818
837 34D 0.8816
838 NBE 0.8816
839 CEE 0.8815
840 ORN 0.8813
841 AW5 0.8810
842 KIB 0.8808
843 KIA 0.8808
844 ZXD 0.8805
845 CTL 0.8805
846 1U6 0.8805
847 TLA 0.8803
848 DPR 0.8802
849 YRL 0.8801
850 948 0.8800
851 HZP 0.8798
852 OK7 0.8798
853 SIN 0.8798
854 HUI 0.8797
855 PZM 0.8797
856 8ZE 0.8797
857 HLZ 0.8796
858 ICO 0.8796
859 M1H 0.8796
860 JZ5 0.8795
861 495 0.8794
862 EV0 0.8790
863 ILE 0.8789
864 Q6T 0.8789
865 MRZ 0.8789
866 51F 0.8789
867 TFU 0.8788
868 1AC 0.8788
869 DHQ 0.8787
870 LT2 0.8786
871 MQN 0.8785
872 QSH 0.8785
873 4P5 0.8785
874 M0Q 0.8784
875 JZ4 0.8784
876 RHU 0.8780
877 BDF 0.8778
878 AFR 0.8776
879 4YO 0.8776
880 4XV 0.8775
881 I1N 0.8773
882 2AL 0.8773
883 LKA 0.8773
884 42C 0.8772
885 LYL 0.8771
886 1LN 0.8771
887 5WX 0.8768
888 7N0 0.8763
889 3V4 0.8762
890 7VS 0.8760
891 KMT 0.8759
892 B24 0.8758
893 4XS 0.8757
894 PEP 0.8757
895 3MB 0.8756
896 3MT 0.8756
897 GLF 0.8755
898 4SX 0.8754
899 3IT 0.8752
900 PKU 0.8751
901 PBE 0.8751
902 DBJ 0.8749
903 BAE 0.8749
904 3MG 0.8749
905 94B 0.8747
906 OVM 0.8746
907 X0V 0.8745
908 ARW 0.8744
909 7MU 0.8742
910 51R 0.8739
911 IFP 0.8737
912 173 0.8737
913 DHS 0.8734
914 3FH 0.8733
915 AKH 0.8732
916 4JQ 0.8731
917 MFU 0.8731
918 RB5 0.8730
919 FGZ 0.8728
920 KJU 0.8726
921 MET 0.8725
922 SE2 0.8724
923 PRY 0.8720
924 HY1 0.8716
925 1DQ 0.8715
926 0TU 0.8714
927 6RQ 0.8714
928 HYP 0.8713
929 FA1 0.8713
930 ZWZ 0.8712
931 0JD 0.8711
932 XYL 0.8710
933 6KX 0.8710
934 D48 0.8708
935 SR1 0.8708
936 5RO 0.8707
937 JZ7 0.8706
938 J5I 0.8706
939 1DV 0.8705
940 DIG 0.8704
941 MUA 0.8704
942 XHP 0.8701
943 FBV 0.8701
944 EYK 0.8699
945 CN0 0.8698
946 GLT 0.8697
947 TIU 0.8696
948 DHR 0.8692
949 AKB 0.8692
950 DBX 0.8690
951 HX2 0.8689
952 8EZ 0.8689
953 192 0.8683
954 OTW 0.8680
955 SF9 0.8677
956 H7Y 0.8673
957 LSA 0.8673
958 B60 0.8672
959 EOL 0.8671
960 SOR 0.8671
961 0HO 0.8670
962 TEP 0.8669
963 BAQ 0.8669
964 AMT 0.8667
965 2MN 0.8667
966 B62 0.8664
967 N2I 0.8663
968 3R6 0.8662
969 ASC 0.8662
970 44W 0.8661
971 PHU 0.8661
972 PRF 0.8651
973 PAC 0.8650
974 AZ9 0.8645
975 ATQ 0.8645
976 PQ0 0.8643
977 PBR 0.8642
978 JA8 0.8640
979 XLS 0.8639
980 0FO 0.8639
981 FB1 0.8638
982 PYQ 0.8636
983 LFR 0.8635
984 LNR 0.8634
985 OW4 0.8631
986 1F1 0.8628
987 680 0.8626
988 KDV 0.8625
989 NTM 0.8623
990 DQU 0.8623
991 N8P 0.8623
992 GCB 0.8622
993 TWO 0.8622
994 SFU 0.8620
995 HQD 0.8619
996 J9T 0.8615
997 JND 0.8615
998 XCZ 0.8606
999 271 0.8606
1000 92K 0.8605
1001 0HN 0.8604
1002 KBB 0.8602
1003 COI 0.8602
1004 N8Y 0.8599
1005 FBT 0.8599
1006 SXS 0.8589
1007 UAN 0.8588
1008 KP6 0.8587
1009 BEA 0.8584
1010 SYV 0.8583
1011 SVD 0.8582
1012 MVN 0.8579
1013 12B 0.8579
1014 SN4 0.8577
1015 QX4 0.8577
1016 PHT 0.8575
1017 4ZA 0.8572
1018 QWW 0.8572
1019 NQ 0.8570
1020 MXN 0.8567
1021 YSO 0.8566
1022 VK3 0.8565
1023 ADA 0.8565
1024 NDH 0.8565
1025 JUG 0.8564
1026 ANN 0.8563
1027 QY9 0.8563
1028 DNF 0.8560
1029 2ZM 0.8559
1030 RXA 0.8553
1031 44V 0.8552
1032 GJS 0.8551
1033 APZ 0.8547
1034 3A9 0.8543
1035 7WR 0.8529
1036 G1O 0.8529
1037 ABI 0.8516
Ligand no: 2; Ligand: NCN; Similar ligands found: 98
No: Ligand Similarity coefficient
1 AMP 0.9424
2 CNU 0.9356
3 G 0.9315
4 IMP 0.9309
5 5GP 0.9288
6 C2R 0.9231
7 8BR 0.9229
8 DU 0.9224
9 TMP 0.9209
10 C5P 0.9197
11 U 0.9195
12 U5P 0.9190
13 5HU 0.9166
14 DA 0.9157
15 UFP 0.9146
16 5FU 0.9141
17 5BU 0.9136
18 TKW 0.9135
19 UMP 0.9130
20 BRU 0.9125
21 AMZ 0.9120
22 C 0.9115
23 NIA 0.9103
24 FMP 0.9101
25 5CM 0.9094
26 PFU 0.9060
27 5IU 0.9049
28 QBT 0.9033
29 FNU 0.9029
30 IMU 0.9014
31 XMP 0.9007
32 NYM 0.9004
33 DUS 0.8991
34 8OP 0.8988
35 IRP 0.8981
36 6MA 0.8975
37 H2U 0.8973
38 2DT 0.8973
39 D4M 0.8973
40 DCM 0.8960
41 D5M 0.8951
42 CAR 0.8942
43 DGP 0.8934
44 CH 0.8928
45 FN5 0.8928
46 5HM 0.8912
47 6MZ 0.8906
48 BVP 0.8900
49 9L3 0.8890
50 FDM 0.8884
51 AS 0.8877
52 6CG 0.8875
53 QIU 0.8871
54 N5O 0.8867
55 DG 0.8859
56 ZAS 0.8857
57 71V 0.8857
58 T3S 0.8854
59 UMC 0.8850
60 J7C 0.8830
61 93A 0.8825
62 M8Q 0.8823
63 U4S 0.8807
64 6OG 0.8801
65 8GM 0.8799
66 6RE 0.8799
67 NEC 0.8796
68 DC 0.8795
69 16B 0.8789
70 Z8B 0.8772
71 AOC 0.8771
72 PSU 0.8769
73 EU2 0.8765
74 NWQ 0.8747
75 7D5 0.8746
76 MTA 0.8737
77 8EQ 0.8736
78 SU1 0.8734
79 ATM 0.8727
80 BMP 0.8724
81 BMQ 0.8722
82 G7M 0.8718
83 8OG 0.8712
84 FYK 0.8708
85 DOC 0.8701
86 NUP 0.8672
87 A3N 0.8660
88 DDN 0.8658
89 1QJ 0.8620
90 ICR 0.8615
91 43J 0.8610
92 PP3 0.8606
93 U3S 0.8604
94 4ZK 0.8592
95 U1S 0.8575
96 U2S 0.8570
97 CA0 0.8562
98 0JO 0.8543
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4KQI; Ligand: RBZ; 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: 4kqi.bio1) has 45 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4KQI; Ligand: RBZ; 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: 4kqi.bio1) has 45 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4KQI; Ligand: NIO; 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: 4kqi.bio1) has 45 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4KQI; Ligand: NIO; 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: 4kqi.bio1) has 45 residues
No: Leader PDB Ligand Sequence Similarity
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