Receptor
PDB id Resolution Class Description Source Keywords
6CIB 2.05 Å NON-ENZYME: OTHER THE STRUCTURE OF YCAO FROM METHANOPYRUS KANDLERI BOUND WITH MG2+ METHANOPYRUS KANDLERI (STRAIN AV19 / DJCM 9639 / NBRC 100938) THIOAMIDATION YCAO ADP MG BIOSYNTHETIC PROTEIN
Ref.: ENZYMATIC RECONSTITUTION OF RIBOSOMAL PEPTIDE BACKB THIOAMIDATION. PROC. NATL. ACAD. SCI. V. 115 3030 2018 U.S.A.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
OXM C:403;
B:403;
E:403;
F:403;
D:403;
A:403;
 Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
none;
none;
 submit data
89.05 C2 H3 N O3 C(=O)...
MG E:402;
F:402;
A:402;
B:402;
C:402;
D:402;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
none;
none;
 submit data
24.305 Mg [Mg+2...
ADP A:401;
C:401;
E:401;
F:401;
B:401;
D:401;
 Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
none;
none;
 submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6CIB 2.05 Å NON-ENZYME: OTHER THE STRUCTURE OF YCAO FROM METHANOPYRUS KANDLERI BOUND WITH MG2+ METHANOPYRUS KANDLERI (STRAIN AV19 / DJCM 9639 / NBRC 100938) THIOAMIDATION YCAO ADP MG BIOSYNTHETIC PROTEIN
Ref.: ENZYMATIC RECONSTITUTION OF RIBOSOMAL PEPTIDE BACKB THIOAMIDATION. PROC. NATL. ACAD. SCI. V. 115 3030 2018 U.S.A.
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 6CIB - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 6CIB - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 6CIB - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: OXM; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 OXM 1 1
2 MLM 0.466667 0.607143
3 PYM 0.461538 0.636364
4 HGY 0.4 0.904762
Ligand no: 2; Ligand: ADP; Similar ligands found: 520
No: Ligand ECFP6 Tc MDL keys Tc
1 ADP 1 1
2 ATP 0.9 1
3 HEJ 0.9 1
4 A2D 0.895522 0.971831
5 AQP 0.887324 1
6 5FA 0.887324 1
7 B4P 0.884058 0.971831
8 AP5 0.884058 0.971831
9 BA3 0.869565 0.971831
10 AN2 0.84507 0.985915
11 AT4 0.84507 0.958904
12 M33 0.833333 0.958333
13 ACQ 0.826667 0.972222
14 A 0.823529 0.971429
15 AMP 0.823529 0.971429
16 ACP 0.821918 0.972222
17 6YZ 0.818182 0.972222
18 APR 0.810811 0.971831
19 AR6 0.810811 0.971831
20 ANP 0.802632 0.972222
21 AD9 0.8 0.972222
22 AGS 0.8 0.945946
23 AMP MG 0.785714 0.929577
24 CA0 0.783784 0.945205
25 ADX 0.783784 0.873418
26 TAT 0.779221 0.958904
27 T99 0.779221 0.958904
28 50T 0.773333 0.958333
29 KG4 0.773333 0.945205
30 45A 0.763889 0.917808
31 ABM 0.763889 0.917808
32 APC 0.763158 0.958904
33 PRX 0.763158 0.893333
34 HQG 0.7625 0.985915
35 ATF 0.759494 0.958904
36 A22 0.753086 0.985915
37 ADP BEF 0.746667 0.943662
38 ADP MG 0.746667 0.943662
39 A12 0.743243 0.958904
40 AP2 0.743243 0.958904
41 SRA 0.736111 0.918919
42 ADQ 0.73494 0.945205
43 25L 0.732558 0.985915
44 5AL 0.725 0.931507
45 8LE 0.725 0.894737
46 2A5 0.717949 0.918919
47 A1R 0.714286 0.907895
48 AU1 0.714286 0.972222
49 A3R 0.714286 0.907895
50 APC MG 0.708861 0.917808
51 ATR 0.708861 0.971429
52 PAP 0.708861 0.985714
53 ATP MG 0.708861 0.943662
54 ADP PO3 0.708861 0.943662
55 8LH 0.707317 0.906667
56 SRP 0.707317 0.906667
57 7D3 0.706667 0.905405
58 JNT 0.705882 0.945205
59 OZV 0.702381 0.971831
60 25A 0.702381 0.971831
61 BEF ADP 0.7 0.917808
62 OAD 0.697674 0.945205
63 9X8 0.697674 0.92
64 8LQ 0.690476 0.906667
65 QA7 0.690476 0.894737
66 RBY 0.6875 0.932432
67 ADV 0.6875 0.932432
68 00A 0.686047 0.883117
69 5SV 0.682353 0.848101
70 OOB 0.682353 0.931507
71 8QN 0.682353 0.931507
72 3OD 0.681818 0.945205
73 BIS 0.681818 0.933333
74 ANP MG 0.674699 0.931507
75 VO4 ADP 0.674699 0.945205
76 ALF ADP 0.674699 0.87013
77 AMO 0.674419 0.932432
78 4AD 0.674419 0.92
79 PAJ 0.674419 0.884615
80 GAP 0.670732 0.893333
81 MAP 0.670588 0.945946
82 DLL 0.666667 0.931507
83 AHX 0.666667 0.896104
84 PTJ 0.662921 0.896104
85 V2G 0.662651 0.896104
86 KMQ 0.659341 0.932432
87 3UK 0.659091 0.918919
88 SON 0.658228 0.932432
89 LMS 0.653333 0.82716
90 B5V 0.651685 0.906667
91 WAQ 0.651685 0.883117
92 LAD 0.651685 0.860759
93 PR8 0.651685 0.85
94 7D4 0.65 0.905405
95 ITT 0.65 0.943662
96 G5P 0.648936 0.921053
97 RAB 0.647059 0.84507
98 XYA 0.647059 0.84507
99 ADN 0.647059 0.84507
100 ME8 0.644444 0.839506
101 TXA 0.644444 0.932432
102 NB8 0.644444 0.896104
103 FYA 0.644444 0.905405
104 1ZZ 0.644444 0.839506
105 6AD 0.642857 0.909091
106 ADP BMA 0.640449 0.918919
107 G3A 0.638298 0.921053
108 DAL AMP 0.632184 0.905405
109 AFH 0.631579 0.884615
110 9SN 0.630435 0.871795
111 9ZA 0.625 0.907895
112 DQV 0.625 0.958333
113 GTA 0.625 0.886076
114 9ZD 0.625 0.907895
115 FA5 0.623656 0.906667
116 B5M 0.623656 0.894737
117 B5Y 0.623656 0.894737
118 UP5 0.622449 0.92
119 CUU 0.621951 0.971831
120 NO7 0.62069 0.932432
121 JSQ 0.619048 0.945946
122 HFD 0.619048 0.945946
123 XAH 0.617021 0.839506
124 AV2 0.616279 0.917808
125 AOC 0.615385 0.821918
126 48N 0.612245 0.896104
127 4UV 0.610526 0.894737
128 NAX 0.606061 0.873418
129 DND 0.606061 0.932432
130 TXD 0.606061 0.907895
131 NAI 0.606061 0.907895
132 6V0 0.606061 0.896104
133 5N5 0.605634 0.819444
134 5AS 0.604938 0.77907
135 A4P 0.60396 0.843373
136 DAT 0.60241 0.905405
137 A2R 0.602273 0.985915
138 OMR 0.6 0.851852
139 TXE 0.6 0.907895
140 GA7 0.597938 0.906667
141 4UU 0.597938 0.894737
142 5CD 0.597222 0.805556
143 A4D 0.597222 0.819444
144 L3W 0.594059 0.932432
145 AP0 0.594059 0.896104
146 4TC 0.594059 0.896104
147 A3P 0.592593 0.971429
148 T5A 0.592233 0.841463
149 139 0.592233 0.873418
150 7D5 0.592105 0.878378
151 ATP A A A 0.589474 0.930556
152 ATP A 0.589474 0.930556
153 LAQ 0.585859 0.839506
154 MYR AMP 0.585106 0.817073
155 H1Q 0.583333 0.90411
156 F2R 0.580952 0.864198
157 YLP 0.58 0.819277
158 UPA 0.578431 0.907895
159 7DD 0.578313 0.985714
160 3AM 0.576923 0.929577
161 ADJ 0.576923 0.851852
162 NAD 0.575472 0.931507
163 COD 0.575472 0.811765
164 3AT 0.574713 0.971831
165 JB6 0.574468 0.883117
166 4UW 0.574257 0.860759
167 EP4 0.573333 0.753247
168 A2P 0.573171 0.957143
169 CNA 0.571429 0.932432
170 TYM 0.568627 0.906667
171 PPS 0.568182 0.873418
172 DTA 0.565789 0.786667
173 M2T 0.565789 0.734177
174 AR6 AR6 0.565657 0.917808
175 80F 0.564815 0.841463
176 A3D 0.564815 0.918919
177 3DH 0.564103 0.773333
178 G5A 0.563218 0.77907
179 YLB 0.563107 0.819277
180 YLC 0.563107 0.839506
181 AMP DBH 0.561224 0.893333
182 MTA 0.558442 0.773333
183 DTP 0.556818 0.905405
184 AHZ 0.554455 0.817073
185 NA7 0.553191 0.958904
186 IOT 0.552381 0.831325
187 ARG AMP 0.55 0.829268
188 ZAS 0.55 0.766234
189 7MD 0.55 0.8625
190 IMO 0.548781 0.929577
191 YLA 0.54717 0.819277
192 NAE 0.544643 0.894737
193 TAD 0.544554 0.884615
194 A5A 0.544444 0.807229
195 2AM 0.544304 0.943662
196 TSB 0.543478 0.819277
197 6RE 0.54321 0.759494
198 6MZ 0.542169 0.930556
199 AYB 0.542056 0.809524
200 NAQ 0.539823 0.871795
201 V3L 0.539326 0.971831
202 AF3 ADP 3PG 0.538462 0.8375
203 ALF ADP 3PG 0.538462 0.8375
204 SSA 0.538462 0.8
205 ZID 0.535088 0.918919
206 LPA AMP 0.533981 0.817073
207 NAD IBO 0.533333 0.917808
208 NAD TDB 0.533333 0.917808
209 VMS 0.532609 0.788235
210 54H 0.532609 0.788235
211 52H 0.532609 0.77907
212 BTX 0.53211 0.841463
213 A3N 0.53012 0.786667
214 J7C 0.53012 0.769231
215 5X8 0.528736 0.763158
216 BT5 0.527273 0.831325
217 53H 0.526882 0.77907
218 8X1 0.526882 0.752809
219 5CA 0.526882 0.8
220 ARU 0.526316 0.860759
221 EAD 0.525862 0.873418
222 RGT 0.525253 0.958904
223 OVE 0.52439 0.905405
224 S4M 0.52381 0.666667
225 7DT 0.522727 0.985714
226 DDS 0.522222 0.878378
227 GDP 0.522222 0.92
228 38V 0.521739 0.886076
229 AVV 0.521277 0.896104
230 NDE 0.521008 0.932432
231 LEU LMS 0.520833 0.730337
232 7MC 0.518868 0.841463
233 DSH 0.518072 0.725
234 MAO 0.517647 0.759036
235 LSS 0.515789 0.761364
236 DSZ 0.515789 0.8
237 NSS 0.515789 0.8
238 P5A 0.515464 0.744444
239 DZD 0.513514 0.884615
240 NWW 0.513158 0.760563
241 O02 0.511111 0.921053
242 NVA LMS 0.510417 0.752809
243 9K8 0.510204 0.714286
244 12D 0.509615 0.785714
245 YLY 0.508772 0.809524
246 M24 0.508772 0.85
247 P1H 0.508333 0.851852
248 5AD 0.506849 0.746479
249 GJV 0.505882 0.75
250 AMP NAD 0.504505 0.905405
251 4TA 0.504505 0.807229
252 NAJ PZO 0.504425 0.848101
253 D4F 0.504348 0.839506
254 KAA 0.5 0.752809
255 GSU 0.5 0.77907
256 71V 0.5 0.907895
257 7D7 0.5 0.743243
258 A3G 0.5 0.8
259 128 0.5 0.776471
260 NDC 0.5 0.871795
261 N0B 0.495726 0.819277
262 NJP 0.495495 0.945946
263 ODP 0.495495 0.909091
264 K3K 0.49505 0.802632
265 2SA 0.494624 0.932432
266 6C6 0.494505 0.881579
267 SFG 0.494382 0.75
268 0WD 0.491071 0.921053
269 LQJ 0.490196 0.917808
270 B1U 0.490196 0.736264
271 YSA 0.490196 0.77907
272 PO4 PO4 A A A A PO4 0.489796 0.902778
273 SAM 0.48913 0.690476
274 6IA 0.48913 0.8375
275 A7D 0.488636 0.776316
276 6FA 0.488 0.841463
277 FB0 0.487805 0.804598
278 NAJ PYZ 0.487179 0.807229
279 J4G 0.484848 0.92
280 A5D 0.483516 0.786667
281 IDP 0.483516 0.918919
282 SA8 0.483516 0.707317
283 PGS 0.483146 0.883117
284 MHZ 0.483146 0.697674
285 DA 0.482353 0.878378
286 NEC 0.482353 0.746667
287 D5M 0.482353 0.878378
288 NIA 0.481928 0.822785
289 Y3J 0.480519 0.726027
290 8PZ 0.480392 0.8
291 FAD 0.480315 0.851852
292 FAS 0.480315 0.851852
293 FDA 0.48 0.833333
294 N6P 0.479592 0.915493
295 GGZ 0.479167 0.825
296 SAI 0.478261 0.734177
297 SAH 0.478261 0.74359
298 NPW 0.477477 0.886076
299 NDP 0.477477 0.921053
300 AAM 0.476744 0.971429
301 AMZ 0.47561 0.916667
302 C2R 0.47561 0.90411
303 SMM 0.473684 0.686047
304 GTP 0.473684 0.92
305 NZQ 0.473214 0.909091
306 TXP 0.473214 0.921053
307 A3S 0.47191 0.810811
308 K3E 0.471154 0.792208
309 NWQ 0.46988 0.739726
310 SFD 0.46875 0.734043
311 AIR 0.468354 0.901408
312 AAT 0.468085 0.707317
313 EEM 0.468085 0.690476
314 7C5 0.466667 0.818182
315 Z5A 0.466667 0.77907
316 J7V 0.466667 0.833333
317 62F 0.465649 0.8625
318 N5O 0.465116 0.763158
319 HDV 0.463158 0.893333
320 KOY 0.462963 0.802632
321 FAY 0.462121 0.8625
322 DCA 0.461538 0.823529
323 A3T 0.461538 0.821918
324 ETB 0.461538 0.833333
325 A6D 0.46 0.722892
326 6K6 0.459184 0.930556
327 QXP 0.459184 0.785714
328 GEK 0.459184 0.7375
329 RFL 0.458647 0.821429
330 S7M 0.458333 0.690476
331 V47 0.458333 0.783784
332 NAP 0.458333 0.945205
333 4YB 0.457944 0.761364
334 CZF 0.457447 0.931507
335 TAP 0.454545 0.907895
336 N5A 0.454545 0.736842
337 FNK 0.454545 0.804598
338 WSA 0.454545 0.788235
339 COA 0.453782 0.823529
340 0T1 0.453782 0.823529
341 101 0.453488 0.878378
342 QBQ 0.452632 0.906667
343 DZ4 0.452632 0.881579
344 XNP 0.452174 0.873418
345 K2R 0.45098 0.88
346 NA0 0.45082 0.932432
347 7RP 0.448276 0.928571
348 K2W 0.447619 0.740741
349 GP3 0.446809 0.921053
350 TM1 0.446602 0.77381
351 APU 0.446429 0.894737
352 KL2 0.445783 0.837838
353 QXG 0.445545 0.776471
354 PUA 0.445378 0.884615
355 V1N 0.443396 0.917808
356 7RA 0.443182 0.957747
357 CAO 0.442623 0.795455
358 30N 0.442623 0.752688
359 COS 0.442623 0.804598
360 AMX 0.442623 0.833333
361 K38 0.442308 0.779221
362 QQY 0.44186 0.815789
363 ACK 0.44186 0.861111
364 649 0.441441 0.744444
365 R2V 0.441176 0.785714
366 0UM 0.44 0.698795
367 NHD 0.439655 0.905405
368 SCO 0.439024 0.823529
369 CMX 0.439024 0.823529
370 GCP 0.438776 0.896104
371 8BR 0.438202 0.906667
372 GNH 0.4375 0.907895
373 3AD 0.4375 0.805556
374 8Q2 0.4375 0.772727
375 O05 0.436893 0.843373
376 NVA 2AD 0.43617 0.759494
377 62X 0.435644 0.666667
378 K2H 0.435644 0.75641
379 ACO 0.435484 0.795455
380 FAM 0.435484 0.804598
381 FCX 0.435484 0.795455
382 9JJ 0.434783 0.8625
383 KY2 0.434343 0.731707
384 9GM 0.434343 0.896104
385 GNP 0.434343 0.896104
386 K3H 0.433962 0.75
387 NMX 0.433071 0.76087
388 MGP 0.43299 0.884615
389 26A 0.432099 0.763158
390 HAX 0.432 0.804598
391 K15 0.431373 0.682353
392 9BG 0.431034 0.896104
393 DG1 0.430894 0.921053
394 1DG 0.430894 0.921053
395 QQX 0.430233 0.805195
396 2VA 0.430108 0.8
397 S8M 0.43 0.759494
398 2MC 0.429688 0.769231
399 PLP AAD 0.428571 0.733333
400 6G0 0.428571 0.884615
401 3KK 0.428571 0.804598
402 P5F 0.428571 0.823529
403 NAD BBN 0.428571 0.841463
404 FYN 0.428571 0.823529
405 KGA 0.427481 0.744681
406 7L1 0.427419 0.795455
407 K2K 0.427184 0.7375
408 NX8 0.427083 0.716049
409 RMB 0.426966 0.873239
410 AS 0.426966 0.833333
411 FAI 0.426966 0.916667
412 KGJ 0.426357 0.752688
413 KYB 0.425743 0.731707
414 1RB 0.425287 0.885714
415 KGP 0.425197 0.729167
416 OXK 0.425197 0.804598
417 COK 0.425197 0.804598
418 SOP 0.425197 0.804598
419 MCD 0.425197 0.804598
420 CA6 0.425197 0.729167
421 YZS 0.425197 0.729167
422 G1R 0.424242 0.907895
423 CC5 0.423077 0.816901
424 SXZ 0.423077 0.710843
425 F2N 0.422535 0.813953
426 NAD CJ3 0.422222 0.811765
427 EO7 0.422222 0.788235
428 ANZ 0.422018 0.8
429 CMC 0.421875 0.804598
430 CO6 0.421875 0.804598
431 1VU 0.421875 0.795455
432 ZDA 0.421053 0.864865
433 GKE 0.420561 0.884615
434 GDC 0.420561 0.884615
435 GDD 0.420561 0.884615
436 NFD 0.420168 0.883117
437 GSP 0.42 0.873418
438 D3Y 0.42 0.789474
439 MC4 0.419847 0.76087
440 3D1 0.419753 0.773333
441 3L1 0.419753 0.773333
442 FA9 0.41958 0.864198
443 G 0.419355 0.906667
444 5GP 0.419355 0.906667
445 KB1 0.419048 0.698795
446 KY5 0.419048 0.725
447 SCD 0.418605 0.823529
448 CAJ 0.418605 0.804598
449 2BA 0.417582 0.915493
450 CMP 0.417582 0.901408
451 SO8 0.416667 0.789474
452 VRT 0.416667 0.769231
453 KFV 0.416667 0.736842
454 N01 0.416667 0.905405
455 1HE 0.415385 0.786517
456 3HC 0.415385 0.813953
457 BCO 0.415385 0.804598
458 MLC 0.415385 0.804598
459 IVC 0.415385 0.813953
460 A1S 0.415385 0.804598
461 NMN AMP PO4 0.415254 0.87013
462 2FA 0.414634 0.813333
463 MGO 0.414141 0.860759
464 FAJ 0.413793 0.831325
465 3NZ 0.413462 0.782051
466 KY8 0.413462 0.728395
467 Q34 0.412281 0.674419
468 LCV 0.412214 0.721649
469 COO 0.412214 0.804598
470 MCA 0.412214 0.795455
471 CAA 0.412214 0.813953
472 SO5 0.412214 0.721649
473 YE1 0.412214 0.813953
474 GAV 0.411765 0.884615
475 PRT 0.411215 0.931507
476 JLN 0.411111 0.890411
477 P2P 0.411111 0.902778
478 OZP 0.410714 0.728395
479 NWZ 0.410526 0.703704
480 ZZB 0.410256 0.77381
481 CNV FAD 0.410072 0.793103
482 YXR 0.409091 0.729167
483 2CP 0.409091 0.795455
484 YXS 0.409091 0.729167
485 SCA 0.409091 0.804598
486 SP1 0.409091 0.842105
487 RP1 0.409091 0.842105
488 103 0.409091 0.837838
489 PAX 0.408 0.829268
490 KYE 0.407407 0.714286
491 FAD NBT 0.407143 0.75
492 BYC 0.406015 0.804598
493 1GZ 0.406015 0.795455
494 IRC 0.406015 0.813953
495 CA8 0.406015 0.729167
496 3CP 0.406015 0.804598
497 COW 0.406015 0.795455
498 HGG 0.406015 0.804598
499 COF 0.406015 0.786517
500 2KQ 0.406015 0.786517
501 G2P 0.405941 0.884615
502 KXW 0.405405 0.707317
503 SLU 0.404959 0.770115
504 RBZ 0.404494 0.849315
505 1CZ 0.404412 0.795455
506 Q2P 0.403361 0.674419
507 COA FLC 0.403226 0.790698
508 FAQ 0.402985 0.804598
509 BCA 0.402985 0.795455
510 4CA 0.402985 0.795455
511 MTP 0.402439 0.730769
512 8OD 0.402062 0.945205
513 HZ2 0.401786 0.731707
514 CO7 0.401515 0.804598
515 ENQ 0.4 0.916667
516 GMV 0.4 0.896104
517 HXC 0.4 0.786517
518 G2R 0.4 0.884615
519 GRA 0.4 0.804598
520 HF7 0.4 0.893333
Similar Ligands (3D)
Ligand no: 1; Ligand: OXM; Similar ligands found: 380
No: Ligand Similarity coefficient
1 PYR 1.0000
2 5Y9 1.0000
3 HBR 1.0000
4 HBS 1.0000
5 NIS 1.0000
6 ALQ 1.0000
7 NAK 1.0000
8 BUO 1.0000
9 DAL 1.0000
10 ALA 1.0000
11 OXD 1.0000
12 2OP 1.0000
13 LAC 1.0000
14 OXL 1.0000
15 1AC 0.9885
16 MB3 0.9870
17 3ZS 0.9839
18 TF4 0.9811
19 DXX 0.9803
20 GOA 0.9797
21 FAH 0.9793
22 BU4 0.9792
23 39J 0.9768
24 THR 0.9753
25 AOA 0.9751
26 DGY 0.9749
27 03W 0.9749
28 3OH 0.9744
29 GLY 0.9733
30 PPI 0.9720
31 BAQ 0.9712
32 DE2 0.9703
33 KSW 0.9698
34 6SP 0.9696
35 DSN 0.9696
36 B20 0.9695
37 0PY 0.9689
38 GBL 0.9688
39 GLV 0.9688
40 NIE 0.9681
41 BNZ 0.9680
42 1CB 0.9680
43 HOW 0.9680
44 HUI 0.9680
45 3PY 0.9679
46 P1R 0.9679
47 HSL 0.9678
48 GOL 0.9672
49 BAL 0.9670
50 MMZ 0.9668
51 2RA 0.9665
52 2KT 0.9659
53 SER 0.9658
54 2AI 0.9656
55 3TR 0.9655
56 4AX 0.9654
57 7EX 0.9648
58 HAE 0.9648
59 DMI 0.9647
60 KG7 0.9644
61 HIU 0.9640
62 ATQ 0.9640
63 R3W 0.9637
64 PHZ 0.9634
65 1MZ 0.9631
66 SAR 0.9631
67 DBB 0.9629
68 AMT 0.9628
69 ALF 0.9628
70 3MT 0.9621
71 J3K 0.9620
72 4MZ 0.9617
73 A3B 0.9615
74 2MZ 0.9611
75 BMD 0.9609
76 MR3 0.9607
77 TRI 0.9606
78 PZO 0.9605
79 SMB 0.9605
80 AKR 0.9597
81 2A3 0.9594
82 CYS 0.9588
83 DTI 0.9587
84 2A1 0.9582
85 BUA 0.9578
86 MZY 0.9570
87 DCY 0.9564
88 C2N 0.9564
89 AGU 0.9559
90 BUQ 0.9557
91 F50 0.9553
92 F3V 0.9551
93 5MP 0.9549
94 NHY 0.9548
95 HUH 0.9546
96 HVB 0.9540
97 5KX 0.9537
98 HVK 0.9535
99 IMD 0.9526
100 LGA 0.9508
101 MGX 0.9506
102 61G 0.9504
103 IPH 0.9503
104 2AP 0.9501
105 ABA 0.9498
106 HRZ 0.9492
107 A2Q 0.9491
108 CXL 0.9488
109 CYH 0.9488
110 MLI 0.9484
111 C5J 0.9482
112 HAI 0.9479
113 XAP 0.9470
114 TAY 0.9469
115 JZ6 0.9468
116 NMU 0.9465
117 MBN 0.9465
118 HYN 0.9465
119 3AP 0.9456
120 3GR 0.9453
121 PPF 0.9445
122 3CL 0.9441
123 4AP 0.9432
124 TSZ 0.9429
125 3BB 0.9427
126 ATO 0.9424
127 L60 0.9424
128 9PO 0.9423
129 ES3 0.9413
130 9A4 0.9411
131 2IM 0.9410
132 3ZQ 0.9405
133 40O 0.9396
134 HLT 0.9395
135 BYZ 0.9390
136 WOT 0.9386
137 93B 0.9378
138 CP2 0.9377
139 DMG 0.9373
140 MEU 0.9365
141 EGD 0.9360
142 MLA 0.9354
143 CAQ 0.9350
144 BUB 0.9346
145 BRP 0.9345
146 BXA 0.9338
147 SLP 0.9338
148 DTL 0.9338
149 V1L 0.9331
150 L89 0.9329
151 GXV 0.9329
152 192 0.9324
153 PXO 0.9318
154 8LG 0.9315
155 2HA 0.9313
156 76X 0.9311
157 93Q 0.9311
158 ETF 0.9307
159 XIX 0.9307
160 FP2 0.9306
161 23W 0.9302
162 1AN 0.9301
163 MRY 0.9294
164 GXE 0.9285
165 2AF 0.9285
166 JZ0 0.9279
167 MTG 0.9277
168 92Z 0.9275
169 938 0.9272
170 BXO 0.9271
171 PYZ 0.9269
172 PIH 0.9268
173 4XX 0.9266
174 BEW 0.9266
175 24T 0.9264
176 HHN 0.9262
177 1BP 0.9260
178 3HR 0.9259
179 MZ0 0.9256
180 4DX 0.9255
181 8CL 0.9253
182 3HL 0.9244
183 OXE 0.9239
184 CEJ 0.9238
185 IVA 0.9236
186 LER 0.9235
187 J1Z 0.9228
188 H3M 0.9224
189 CHT 0.9218
190 E60 0.9217
191 HV2 0.9217
192 TFB 0.9211
193 2CH 0.9206
194 TCV 0.9204
195 TTO 0.9204
196 TMZ 0.9199
197 FJO 0.9195
198 HGW 0.9191
199 AAE 0.9190
200 HTS 0.9185
201 NVI 0.9185
202 285 0.9167
203 IQ0 0.9161
204 MMU 0.9160
205 TMT 0.9156
206 FW5 0.9148
207 6X8 0.9145
208 25T 0.9142
209 PRI 0.9136
210 YAN 0.9135
211 280 0.9135
212 HPY 0.9097
213 PRS 0.9084
214 26D 0.9078
215 8X3 0.9077
216 FMS 0.9071
217 URA 0.9069
218 DUC 0.9067
219 TFS 0.9066
220 TAU 0.9065
221 1DH 0.9064
222 CYT 0.9060
223 BAE 0.9058
224 4JU 0.9055
225 2HE 0.9051
226 DTU 0.9050
227 ITU 0.9045
228 RP7 0.9044
229 DCD 0.9044
230 AKB 0.9038
231 HSW 0.9030
232 FOA 0.9029
233 LG3 0.9029
234 8GF 0.9024
235 BVG 0.9020
236 RCO 0.9020
237 SSN 0.9019
238 278 0.9018
239 D2P 0.9017
240 ALO 0.9016
241 KIV 0.9016
242 P2D 0.9014
243 PRO 0.9009
244 EDO 0.9002
245 VAL 0.9001
246 2HP 0.9000
247 DPR 0.8997
248 2PC 0.8995
249 FCN 0.8993
250 BVC 0.8992
251 2EZ 0.8988
252 ODV 0.8985
253 LG5 0.8985
254 CRS 0.8980
255 IDH 0.8979
256 POA 0.8974
257 284 0.8972
258 HVQ 0.8969
259 PYC 0.8965
260 25R 0.8957
261 4CH 0.8951
262 PAE 0.8946
263 BVF 0.8944
264 ICN 0.8943
265 CIG 0.8940
266 ETM 0.8938
267 DTT 0.8936
268 1XX 0.8932
269 3CH 0.8925
270 VSO 0.8922
271 TZC 0.8922
272 JBN 0.8920
273 PCR 0.8916
274 T2C 0.8913
275 HQE 0.8909
276 RSF 0.8904
277 DA1 0.8903
278 P7I 0.8902
279 LG4 0.8898
280 9X7 0.8896
281 2MH 0.8894
282 ECE 0.8891
283 HEW 0.8889
284 SYN 0.8888
285 JAB 0.8888
286 MAK 0.8882
287 B3R 0.8881
288 NCM 0.8880
289 PLQ 0.8876
290 HGQ 0.8875
291 PXY 0.8873
292 4JN 0.8871
293 FPN 0.8871
294 MSF 0.8871
295 FUS 0.8865
296 BML 0.8864
297 HHQ 0.8860
298 HCS 0.8857
299 TP5 0.8849
300 TAN 0.8846
301 265 0.8842
302 4H2 0.8838
303 M3T 0.8837
304 8FH 0.8833
305 CSS 0.8833
306 4HS 0.8818
307 YHO 0.8812
308 CNH 0.8809
309 DAB 0.8801
310 IOL 0.8796
311 TMO 0.8790
312 PUT 0.8788
313 TBU 0.8788
314 TDR 0.8784
315 ICP 0.8779
316 03S 0.8779
317 ICC 0.8778
318 TB0 0.8776
319 URF 0.8771
320 282 0.8771
321 BF4 0.8770
322 273 0.8767
323 GB 0.8766
324 APY 0.8764
325 4HO 0.8760
326 1MC 0.8756
327 3MC 0.8752
328 BRJ 0.8751
329 1DU 0.8749
330 27Y 0.8748
331 HSE 0.8738
332 A1U 0.8736
333 WBU 0.8735
334 FPY 0.8733
335 MMQ 0.8728
336 MCT 0.8728
337 2PA 0.8727
338 5MH 0.8724
339 FLM 0.8724
340 NEQ 0.8721
341 MWM 0.8721
342 XYD 0.8719
343 GVH 0.8716
344 AMC 0.8715
345 FFP 0.8713
346 MWJ 0.8713
347 4CL 0.8712
348 PO4 0.8701
349 0R1 0.8698
350 MZG 0.8696
351 JZ2 0.8692
352 1PT 0.8686
353 4ZE 0.8683
354 5UC 0.8681
355 SMV 0.8678
356 FPO 0.8677
357 ABN 0.8673
358 AXO 0.8672
359 CP 0.8671
360 4JJ 0.8669
361 BZF 0.8668
362 9CL 0.8668
363 1MR 0.8664
364 ACT 0.8663
365 ISU 0.8654
366 HBX 0.8651
367 DEN 0.8646
368 OSM 0.8645
369 PYG 0.8644
370 ACM 0.8644
371 C21 0.8642
372 AF3 0.8637
373 FPI 0.8630
374 NBE 0.8629
375 PY7 0.8620
376 PYJ 0.8620
377 MBD 0.8614
378 MTD 0.8610
379 JZ3 0.8604
380 SEY 0.8550
Ligand no: 2; Ligand: ADP; Similar ligands found: 65
No: Ligand Similarity coefficient
1 BMQ 1.0000
2 ADP ALF 0.9881
3 ADP AF3 0.9881
4 ADP VO4 0.9881
5 DGI 0.9763
6 GDP MG 0.9684
7 GDP BEF 0.9644
8 ALF GDP 0.9644
9 GDP ALF 0.9644
10 BEF GDP 0.9610
11 GDP AF3 0.9610
12 NYZ 0.9560
13 M7G 0.9527
14 GP2 0.9485
15 UDP 0.9410
16 G8D 0.9364
17 TYD 0.9340
18 CDP 0.9333
19 GCQ 0.9290
20 8GD 0.9252
21 CDP MG 0.9246
22 DUD 0.9233
23 YYY 0.9230
24 D4D 0.9127
25 KB7 0.9099
26 DUN 0.9081
27 TBD 0.9046
28 IMP 0.9020
29 IRP 0.8992
30 MGT 0.8986
31 FMP 0.8980
32 UDP UDP 0.8979
33 G3D 0.8938
34 UC5 0.8921
35 ALF 5GP 0.8902
36 7XL 0.8868
37 GTP MG 0.8843
38 XMP 0.8838
39 IMU 0.8829
40 MOD 0.8822
41 C8M 0.8795
42 A8M 0.8784
43 8OP 0.8777
44 DG 0.8750
45 DGP 0.8750
46 MSP 0.8735
47 G7M 0.8734
48 6MA 0.8734
49 6CG 0.8732
50 PFU 0.8701
51 FZT 0.8697
52 DBG 0.8693
53 DGT 0.8685
54 FZQ 0.8683
55 MZP 0.8680
56 93A 0.8679
57 S3N 0.8673
58 0RC 0.8661
59 TKW 0.8651
60 5FU 0.8637
61 FNU 0.8616
62 FZK 0.8607
63 UTP 0.8603
64 UP6 0.8572
65 NMN 0.8537
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6CIB; Ligand: OXM; 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: 6cib.bio6) has 2 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6CIB; Ligand: ADP; Similar sites found with APoc: 2
This union binding pocket(no: 2) in the query (biounit: 6cib.bio6) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 4Q86 AMP 36.87
2 4Q86 AMP 36.87
Pocket No.: 3; Query (leader) PDB : 6CIB; Ligand: ADP; Similar sites found with APoc: 2
This union binding pocket(no: 3) in the query (biounit: 6cib.bio4) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 4Q86 AMP 36.87
2 4Q86 AMP 36.87
Pocket No.: 4; Query (leader) PDB : 6CIB; Ligand: OXM; 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: 6cib.bio4) has 2 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 6CIB; Ligand: ADP; Similar sites found with APoc: 6
This union binding pocket(no: 5) in the query (biounit: 6cib.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 4Q86 AMP 36.87
2 4Q86 AMP 36.87
3 4Q86 AMP 36.87
4 4Q86 AMP 36.87
5 4Q86 AMP 36.87
6 4Q86 AMP 36.87
Pocket No.: 6; Query (leader) PDB : 6CIB; Ligand: OXM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 6cib.bio2) has 2 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 6CIB; Ligand: OXM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 6cib.bio5) has 2 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 6CIB; Ligand: ADP; Similar sites found with APoc: 3
This union binding pocket(no: 8) in the query (biounit: 6cib.bio5) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 4Q86 AMP 36.87
2 4Q86 AMP 36.87
3 4Q86 AMP 36.87
Pocket No.: 9; Query (leader) PDB : 6CIB; Ligand: OXM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 6cib.bio3) has 2 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 6CIB; Ligand: ADP; Similar sites found with APoc: 1
This union binding pocket(no: 10) in the query (biounit: 6cib.bio3) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 4Q86 AMP 36.87
Pocket No.: 11; Query (leader) PDB : 6CIB; Ligand: OXM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 6cib.bio1) has 2 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 6CIB; Ligand: ADP; Similar sites found with APoc: 1
This union binding pocket(no: 12) in the query (biounit: 6cib.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 4Q86 AMP 36.87
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