Receptor
PDB id Resolution Class Description Source Keywords
2H59 1.9 Å EC: 3.5.1.- SIR2 H116A-DEACETYLATED P53 PEPTIDE-3'-O-ACETYL ADP RIBOSE THERMOTOGA MARITIMA ROSSMANN FOLD ZN BINDING DOMAIN HYDROLASE
Ref.: INSIGHTS INTO THE SIRTUIN MECHANISM FROM TERNARY CO CONTAINING NAD(+) AND ACETYLATED PEPTIDE. STRUCTURE V. 14 1231 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
3OD B:253;
Valid;
none;
submit data
601.352 C17 H25 N5 O15 P2 CC(=O...
APR A:252;
Valid;
none;
submit data
559.316 C15 H23 N5 O14 P2 c1nc(...
ZN A:1001;
B:1001;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1YC5 1.4 Å EC: 3.5.1.- SIR2-P53 PEPTIDE-NICOTINAMIDE THERMOTOGA MARITIMA SIR2 SIRTUIN SIR2TM SIRT1 P53 NICOTINAMIDE HYDROLASE
Ref.: MECHANISM OF SIRTUIN INHIBITION BY NICOTINAMIDE: ALTERING THE NAD(+) COSUBSTRATE SPECIFICITY OF A SIR2 ENZYME. MOL.CELL V. 17 855 2005
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 31 families.
1 2H59 - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
2 2H4H - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 2H4J - OAD C17 H25 N5 O15 P2 CC(=O)O[C@....
4 2H4F - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 1YC5 ic50 = 1 mM NCA C6 H6 N2 O c1cc(cnc1)....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 28 families.
1 2H59 - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
2 2H4H - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 2H4J - OAD C17 H25 N5 O15 P2 CC(=O)O[C@....
4 2H4F - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 1YC5 ic50 = 1 mM NCA C6 H6 N2 O c1cc(cnc1)....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 2H59 - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
2 2H4H - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 2H4J - OAD C17 H25 N5 O15 P2 CC(=O)O[C@....
4 2H4F - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 1YC5 ic50 = 1 mM NCA C6 H6 N2 O c1cc(cnc1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 3OD; Similar ligands found: 412
No: Ligand ECFP6 Tc MDL keys Tc
1 3OD 1 1
2 OAD 0.782609 1
3 AR6 0.747126 0.972222
4 APR 0.747126 0.972222
5 A2D 0.746988 0.945205
6 9X8 0.726316 0.946667
7 BA3 0.709302 0.945205
8 B4P 0.701149 0.945205
9 AP5 0.701149 0.945205
10 AN2 0.693182 0.932432
11 M33 0.685393 0.958904
12 ADP 0.681818 0.945205
13 AGS 0.681319 0.896104
14 SAP 0.681319 0.896104
15 ATP 0.677778 0.945205
16 HEJ 0.677778 0.945205
17 AT4 0.674157 0.907895
18 AQP 0.67033 0.945205
19 5FA 0.67033 0.945205
20 CA0 0.666667 0.972603
21 AD9 0.663043 0.92
22 8LE 0.659574 0.946667
23 KG4 0.659341 0.972603
24 ACP 0.659341 0.92
25 A22 0.649485 0.932432
26 ANP 0.648936 0.92
27 5AL 0.642105 0.986111
28 HQG 0.639175 0.958904
29 A3R 0.636364 0.884615
30 ADQ 0.636364 0.945946
31 A1R 0.636364 0.884615
32 PRX 0.634409 0.894737
33 OMR 0.633027 0.9
34 AMP 0.632184 0.917808
35 A 0.632184 0.917808
36 ACQ 0.631579 0.92
37 ADX 0.630435 0.851852
38 45A 0.629214 0.918919
39 ABM 0.629214 0.918919
40 SRP 0.628866 0.933333
41 8LH 0.628866 0.959459
42 50T 0.623656 0.906667
43 PAJ 0.62 0.935065
44 ATF 0.618557 0.907895
45 8LQ 0.616162 0.959459
46 6YZ 0.612245 0.92
47 DQV 0.611111 0.958904
48 RBY 0.610526 0.933333
49 ADV 0.610526 0.933333
50 8QN 0.61 0.986111
51 OOB 0.61 0.958904
52 4AD 0.60396 0.946667
53 AMO 0.60396 0.959459
54 00A 0.598039 0.909091
55 DLL 0.598039 0.958904
56 AP2 0.597826 0.907895
57 A12 0.597826 0.907895
58 ME8 0.596154 0.8875
59 AU1 0.595745 0.92
60 B5Y 0.59434 0.946667
61 25L 0.590476 0.932432
62 SRA 0.588889 0.87013
63 LAD 0.586538 0.886076
64 PR8 0.586538 0.875
65 48N 0.585586 0.947368
66 ADP MG 0.585106 0.917808
67 APC 0.583333 0.907895
68 AHX 0.582524 0.897436
69 T99 0.581633 0.907895
70 TAT 0.581633 0.907895
71 PTJ 0.580952 0.922078
72 NB8 0.580952 0.922078
73 1ZZ 0.580952 0.8875
74 BIS 0.580952 0.884615
75 TXA 0.580952 0.986301
76 NAX 0.580357 0.875
77 TXD 0.580357 0.909091
78 DND 0.580357 0.959459
79 NXX 0.580357 0.959459
80 6V0 0.580357 0.897436
81 NAI 0.580357 0.909091
82 B5M 0.579439 0.946667
83 FA5 0.579439 0.933333
84 5SV 0.578431 0.85
85 25A 0.578431 0.918919
86 CNA 0.577586 0.933333
87 3UK 0.576923 0.945946
88 TXE 0.575221 0.909091
89 A2R 0.574257 0.958904
90 F2R 0.57265 0.865854
91 WAQ 0.571429 0.909091
92 B5V 0.571429 0.933333
93 DAL AMP 0.568627 0.958904
94 MAP 0.568627 0.896104
95 SON 0.568421 0.933333
96 GAP 0.565657 0.92
97 YAP 0.564815 0.921053
98 OZV 0.563107 0.945205
99 9ZA 0.563107 0.934211
100 9ZD 0.563107 0.934211
101 ATP MG 0.561224 0.917808
102 APC MG 0.561224 0.893333
103 ADP PO3 0.561224 0.917808
104 AFH 0.558559 0.886076
105 AP0 0.556522 0.897436
106 9SN 0.555556 0.897436
107 COD 0.554622 0.835294
108 GTA 0.553571 0.8875
109 FYA 0.551402 0.881579
110 G3A 0.54955 0.897436
111 LAQ 0.548673 0.864198
112 PAP 0.545455 0.931507
113 XAH 0.545455 0.841463
114 G5P 0.544643 0.897436
115 4UU 0.544643 0.921053
116 YLP 0.54386 0.865854
117 4UV 0.540541 0.921053
118 ADP ALF 0.539216 0.848101
119 ALF ADP 0.539216 0.848101
120 4UW 0.53913 0.910256
121 TYM 0.534483 0.933333
122 ADP VO4 0.533981 0.906667
123 VO4 ADP 0.533981 0.906667
124 A3D 0.532787 0.945946
125 NA7 0.53271 0.907895
126 GA7 0.530973 0.907895
127 YLC 0.529915 0.8875
128 YLB 0.529915 0.865854
129 139 0.529412 0.875
130 T5A 0.529412 0.865854
131 ADJ 0.529412 0.853659
132 A A 0.527778 0.893333
133 LMS 0.526882 0.807229
134 UP5 0.525862 0.921053
135 A4P 0.525424 0.823529
136 EAD 0.523438 0.898734
137 FB0 0.522727 0.806818
138 ATP A A A 0.522523 0.905405
139 ATP A 0.522523 0.905405
140 80F 0.520325 0.865854
141 2A5 0.52 0.87013
142 ADP BMA 0.518519 0.92
143 MYR AMP 0.518182 0.864198
144 NAD 0.516393 0.932432
145 NAE 0.515873 0.921053
146 AOC 0.515789 0.8
147 ATR 0.514852 0.917808
148 AYB 0.512397 0.855422
149 RAB 0.511628 0.821918
150 XYA 0.511628 0.821918
151 ADN 0.511628 0.821918
152 5AS 0.510204 0.781609
153 G5A 0.509804 0.781609
154 AHZ 0.508621 0.864198
155 IOT 0.508333 0.833333
156 YLY 0.507937 0.855422
157 P1H 0.507576 0.876543
158 AVV 0.504673 0.873418
159 4TC 0.504202 0.897436
160 UPA 0.504202 0.909091
161 YLA 0.504132 0.843373
162 0WD 0.504065 0.897436
163 NAQ 0.5 0.897436
164 7D4 0.5 0.857143
165 54H 0.5 0.811765
166 VMS 0.5 0.811765
167 BT5 0.5 0.833333
168 PPS 0.5 0.829268
169 ITT 0.5 0.891892
170 TYR AMP 0.5 0.896104
171 A3P 0.5 0.917808
172 NJP 0.495935 0.921053
173 JB6 0.495495 0.860759
174 TSB 0.495327 0.843373
175 A5A 0.495238 0.831325
176 EP4 0.494505 0.75641
177 5CD 0.494382 0.783784
178 A4D 0.494382 0.797297
179 7MC 0.491667 0.888889
180 LPA AMP 0.491525 0.841463
181 ARG AMP 0.491379 0.831325
182 7MD 0.491379 0.8875
183 7D3 0.489796 0.857143
184 DZD 0.488 0.886076
185 TAD 0.487179 0.886076
186 AMP DBH 0.486957 0.894737
187 52H 0.485981 0.802326
188 6AD 0.485714 0.886076
189 3AM 0.484211 0.878378
190 MTA 0.483871 0.776316
191 5N5 0.483146 0.797297
192 9K8 0.482143 0.755556
193 NVA LMS 0.481818 0.775281
194 8X1 0.481481 0.755556
195 53H 0.481481 0.802326
196 JSQ 0.480769 0.896104
197 HFD 0.480769 0.896104
198 H1Q 0.480392 0.88
199 BTX 0.48 0.821429
200 AR6 AR6 0.478632 0.918919
201 6FA 0.478261 0.865854
202 LEU LMS 0.477477 0.775281
203 SSA 0.476636 0.802326
204 3DH 0.473684 0.776316
205 N0B 0.473282 0.843373
206 ZID 0.473282 0.92
207 P5A 0.473214 0.747253
208 DTA 0.473118 0.766234
209 M2T 0.473118 0.7375
210 M24 0.472868 0.875
211 LSS 0.472727 0.784091
212 NSS 0.472727 0.802326
213 DSZ 0.472727 0.823529
214 ODP 0.472 0.886076
215 AF3 ADP 3PG 0.471074 0.8625
216 FDA 0.471014 0.835294
217 A2P 0.47 0.90411
218 FNK 0.468531 0.806818
219 ARU 0.468468 0.839506
220 AMP NAD 0.468254 0.932432
221 5CA 0.46789 0.802326
222 NDP 0.467742 0.897436
223 NPW 0.467742 0.864198
224 NDC 0.467153 0.873418
225 ETB 0.465116 0.835294
226 DCA 0.465116 0.825581
227 J7C 0.464646 0.728395
228 NZQ 0.464 0.886076
229 TXP 0.464 0.897436
230 7D5 0.463158 0.831169
231 3AT 0.462264 0.918919
232 FAD 0.460993 0.876543
233 FAS 0.460993 0.876543
234 6RE 0.459184 0.719512
235 30N 0.458647 0.755319
236 COA 0.458015 0.825581
237 0T1 0.458015 0.825581
238 NAJ PZO 0.457364 0.85
239 G A A A 0.456693 0.85
240 P5F 0.453333 0.847059
241 NDE 0.452555 0.907895
242 5X8 0.451923 0.789474
243 ACO 0.451852 0.797753
244 A A A 0.451327 0.881579
245 SFD 0.450704 0.755319
246 9JJ 0.449664 0.864198
247 DTP 0.448598 0.857143
248 V3L 0.448598 0.945205
249 62F 0.448276 0.864198
250 CAO 0.447761 0.797753
251 AMX 0.447761 0.835294
252 COS 0.447761 0.806818
253 GSU 0.447368 0.802326
254 F2N 0.447368 0.816092
255 KAA 0.447368 0.755556
256 2MC 0.446043 0.771739
257 6MZ 0.445545 0.905405
258 S4M 0.445545 0.670455
259 NO7 0.445455 0.883117
260 4TA 0.445312 0.831325
261 XNP 0.445312 0.851852
262 FAY 0.445205 0.8875
263 SCO 0.444444 0.847059
264 CMX 0.444444 0.847059
265 8PZ 0.444444 0.802326
266 NAJ PYZ 0.443609 0.809524
267 SA8 0.443396 0.753086
268 2AM 0.443299 0.891892
269 RFL 0.442177 0.845238
270 SOP 0.442029 0.806818
271 FAM 0.441176 0.806818
272 FCX 0.441176 0.818182
273 MAO 0.441176 0.761905
274 YSA 0.440678 0.781609
275 AV2 0.440367 0.868421
276 NEC 0.44 0.773333
277 PUA 0.439394 0.8625
278 SFG 0.438095 0.776316
279 DAT 0.438095 0.857143
280 HAX 0.437956 0.806818
281 GEK 0.4375 0.7625
282 S7M 0.436364 0.73494
283 SMM 0.436364 0.729412
284 IMO 0.435644 0.878378
285 A3N 0.435644 0.766234
286 SAM 0.435185 0.73494
287 FYN 0.434783 0.825581
288 3KK 0.434783 0.806818
289 ZAS 0.434343 0.746835
290 A G 0.434109 0.860759
291 7DT 0.433962 0.931507
292 NA0 0.433824 0.933333
293 KGA 0.433566 0.765957
294 7DD 0.432692 0.931507
295 KGJ 0.432624 0.755319
296 MCD 0.431655 0.827586
297 CA6 0.431655 0.731959
298 KGP 0.431655 0.731959
299 COK 0.431655 0.806818
300 YZS 0.431655 0.731959
301 OXK 0.431655 0.827586
302 GJV 0.431373 0.710843
303 EEM 0.431193 0.73494
304 KOY 0.430894 0.828947
305 U A G G 0.430769 0.860759
306 OVE 0.43 0.857143
307 A5D 0.429907 0.766234
308 CAA 0.429577 0.816092
309 LQJ 0.428571 0.893333
310 CO6 0.428571 0.806818
311 CMC 0.428571 0.827586
312 B1U 0.428571 0.73913
313 NMX 0.428571 0.763441
314 1VU 0.428571 0.797753
315 MC4 0.426573 0.763441
316 SAH 0.425926 0.769231
317 SAI 0.425926 0.759494
318 FA9 0.425806 0.865854
319 A3G 0.425743 0.802632
320 DSH 0.425743 0.707317
321 CAJ 0.425532 0.827586
322 SCD 0.425532 0.847059
323 U A 0.424242 0.884615
324 WSA 0.424 0.790698
325 BYC 0.423611 0.806818
326 KFV 0.423611 0.739583
327 CA8 0.423611 0.731959
328 7L1 0.423358 0.797753
329 IVC 0.422535 0.816092
330 BCO 0.422535 0.806818
331 1HE 0.422535 0.788889
332 3HC 0.422535 0.816092
333 MLC 0.422535 0.827586
334 A1S 0.422535 0.806818
335 J4G 0.422414 0.921053
336 5AD 0.422222 0.75
337 DDS 0.422018 0.831169
338 1CZ 0.421769 0.818182
339 7C5 0.421488 0.820513
340 FAQ 0.42069 0.806818
341 RGT 0.420168 0.933333
342 G1R 0.419643 0.909091
343 LCV 0.41958 0.742268
344 SO5 0.41958 0.742268
345 MCA 0.41958 0.818182
346 YE1 0.41958 0.816092
347 COO 0.41958 0.806818
348 NAP 0.419118 0.92
349 AAT 0.418182 0.690476
350 APU 0.417323 0.871795
351 SCA 0.416667 0.827586
352 2CP 0.416667 0.818182
353 NVA 2AD 0.416667 0.78481
354 YXR 0.416667 0.731959
355 YXS 0.416667 0.731959
356 1DG 0.416058 0.897436
357 Z5A 0.416058 0.802326
358 DG1 0.416058 0.897436
359 MHZ 0.415094 0.701149
360 4YB 0.414634 0.784091
361 2SA 0.414414 0.933333
362 2KQ 0.413793 0.808989
363 PO4 PO4 A A A A PO4 0.413793 0.878378
364 3CP 0.413793 0.827586
365 1GZ 0.413793 0.797753
366 COF 0.413793 0.788889
367 HGG 0.413793 0.827586
368 IRC 0.413793 0.816092
369 A6D 0.413793 0.705882
370 COW 0.413793 0.797753
371 N01 0.413534 0.932432
372 6C6 0.412844 0.835443
373 649 0.412698 0.747253
374 A3T 0.411215 0.849315
375 2VA 0.411215 0.826667
376 BCA 0.410959 0.797753
377 4CA 0.410959 0.797753
378 0FQ 0.409396 0.806818
379 6IA 0.409091 0.817073
380 0UM 0.408696 0.743902
381 HXC 0.408163 0.788889
382 GRA 0.408163 0.827586
383 TAP 0.405797 0.860759
384 J7V 0.405797 0.857143
385 A3S 0.40566 0.813333
386 A7D 0.40566 0.75641
387 TGC 0.405405 0.818182
388 62X 0.405172 0.709302
389 128 0.404762 0.758621
390 AMZ 0.40404 0.891892
391 C2R 0.40404 0.905405
392 N5A 0.403846 0.74026
393 GGZ 0.403509 0.804878
394 CIC 0.402685 0.827586
395 2NE 0.402685 0.788889
396 CO8 0.402685 0.788889
397 N9V 0.402685 0.818182
398 S0N 0.402685 0.827586
399 K15 0.401709 0.72619
400 V1N 0.401639 0.918919
401 NMN AMP PO4 0.401515 0.871795
402 NHD 0.401515 0.906667
403 4KX 0.401316 0.78022
404 MFK 0.4 0.788889
405 4CO 0.4 0.797753
406 UCC 0.4 0.788889
407 DCC 0.4 0.788889
408 5F9 0.4 0.788889
409 ST9 0.4 0.788889
410 71V 0.4 0.860759
411 12D 0.4 0.767442
412 MYA 0.4 0.788889
Ligand no: 2; Ligand: APR; Similar ligands found: 426
No: Ligand ECFP6 Tc MDL keys Tc
1 APR 1 1
2 AR6 1 1
3 A2D 0.898551 0.971831
4 BA3 0.847222 0.971831
5 B4P 0.835616 0.971831
6 AP5 0.835616 0.971831
7 M33 0.813333 0.958333
8 ADP 0.810811 0.971831
9 RBY 0.805195 0.958904
10 ADV 0.805195 0.958904
11 HEJ 0.802632 0.971831
12 ATP 0.802632 0.971831
13 AN2 0.8 0.958333
14 AT4 0.8 0.932432
15 5FA 0.792208 0.971831
16 AQP 0.792208 0.971831
17 AGS 0.782051 0.92
18 AD9 0.782051 0.945205
19 SAP 0.782051 0.92
20 ACP 0.779221 0.945205
21 AMP 0.753425 0.943662
22 A 0.753425 0.943662
23 3OD 0.747126 0.972222
24 HQG 0.746988 0.985915
25 PRX 0.746835 0.893333
26 OAD 0.744186 0.972222
27 9X8 0.744186 0.945946
28 ADX 0.74359 0.873418
29 CA0 0.74359 0.972222
30 ANP 0.740741 0.945205
31 ACQ 0.740741 0.945205
32 A22 0.738095 0.958333
33 KG4 0.734177 0.972222
34 50T 0.734177 0.931507
35 A2R 0.72619 0.985915
36 ABM 0.723684 0.917808
37 45A 0.723684 0.917808
38 ATF 0.722892 0.932432
39 ADQ 0.72093 0.972222
40 A3R 0.72093 0.907895
41 A1R 0.72093 0.907895
42 6YZ 0.714286 0.945205
43 A12 0.705128 0.932432
44 AP2 0.705128 0.932432
45 SRA 0.697368 0.893333
46 8LE 0.690476 0.92
47 5AL 0.690476 0.958333
48 ADP MG 0.6875 0.943662
49 APC 0.682927 0.932432
50 AU1 0.679012 0.945205
51 TAT 0.678571 0.932432
52 T99 0.678571 0.932432
53 SRP 0.674419 0.932432
54 8LH 0.674419 0.932432
55 BIS 0.67033 0.907895
56 25L 0.663043 0.958333
57 4AD 0.662921 0.945946
58 8LQ 0.659091 0.932432
59 DLL 0.655556 0.958333
60 00A 0.655556 0.907895
61 ATP MG 0.654762 0.943662
62 APC MG 0.654762 0.917808
63 ADP PO3 0.654762 0.943662
64 OZV 0.651685 0.971831
65 25A 0.651685 0.944444
66 OOB 0.651685 0.958333
67 8QN 0.651685 0.958333
68 5SV 0.651685 0.848101
69 DQV 0.649485 0.958333
70 PAJ 0.644444 0.909091
71 AMO 0.644444 0.958904
72 MAP 0.640449 0.92
73 OMR 0.64 0.875
74 AFH 0.639175 0.909091
75 AHX 0.637363 0.896104
76 FYA 0.634409 0.905405
77 3UK 0.630435 0.945205
78 NAX 0.63 0.873418
79 G3A 0.628866 0.896104
80 SON 0.626506 0.932432
81 ALF ADP 0.625 0.87013
82 ADP ALF 0.625 0.87013
83 B5V 0.623656 0.932432
84 WAQ 0.623656 0.907895
85 LAD 0.623656 0.884615
86 PR8 0.623656 0.873418
87 G5P 0.622449 0.896104
88 GAP 0.62069 0.918919
89 LMS 0.620253 0.82716
90 48N 0.62 0.921053
91 ADP VO4 0.617977 0.931507
92 VO4 ADP 0.617977 0.931507
93 AP0 0.617647 0.896104
94 PTJ 0.617021 0.896104
95 ME8 0.617021 0.8625
96 TXA 0.617021 0.958904
97 NB8 0.617021 0.921053
98 1ZZ 0.617021 0.8625
99 GTA 0.616162 0.8625
100 FA5 0.614583 0.932432
101 DND 0.613861 0.958904
102 TXD 0.613861 0.907895
103 NXX 0.613861 0.958904
104 NAI 0.613861 0.907895
105 6V0 0.613861 0.896104
106 TXE 0.607843 0.907895
107 DAL AMP 0.604396 0.931507
108 9SN 0.604167 0.896104
109 UP5 0.598039 0.92
110 YAP 0.597938 0.92
111 B5Y 0.597938 0.92
112 B5M 0.597938 0.92
113 9ZA 0.597826 0.907895
114 9ZD 0.597826 0.907895
115 XAH 0.591837 0.839506
116 ADN 0.589041 0.84507
117 RAB 0.589041 0.84507
118 XYA 0.589041 0.84507
119 2A5 0.586207 0.893333
120 4UV 0.585859 0.92
121 AOC 0.585366 0.821918
122 ADJ 0.584906 0.875
123 ITT 0.581395 0.916667
124 7D4 0.581395 0.88
125 A4P 0.580952 0.821429
126 ATR 0.579545 0.943662
127 PAP 0.579545 0.957747
128 CNA 0.579439 0.932432
129 ADP BMA 0.578947 0.945205
130 5AS 0.576471 0.77907
131 4UU 0.574257 0.92
132 GA7 0.574257 0.906667
133 F2R 0.574074 0.864198
134 5N5 0.573333 0.819444
135 7D3 0.571429 0.88
136 4TC 0.571429 0.896104
137 139 0.570093 0.873418
138 T5A 0.570093 0.841463
139 COD 0.568807 0.811765
140 JB6 0.56701 0.883117
141 A4D 0.565789 0.819444
142 5CD 0.565789 0.805556
143 EP4 0.564103 0.753247
144 LAQ 0.563107 0.8625
145 NA7 0.5625 0.932432
146 TYM 0.561905 0.932432
147 80F 0.558559 0.864198
148 YLP 0.557692 0.841463
149 A A 0.556701 0.917808
150 G5A 0.555556 0.77907
151 HFD 0.555556 0.92
152 JSQ 0.555556 0.92
153 4UW 0.552381 0.884615
154 ATP A 0.55 0.930556
155 ATP A A A 0.55 0.930556
156 AVV 0.547368 0.896104
157 A3P 0.546512 0.943662
158 MYR AMP 0.545455 0.839506
159 7D5 0.54321 0.853333
160 G1R 0.542553 0.907895
161 UPA 0.542056 0.907895
162 YLB 0.542056 0.841463
163 YLC 0.542056 0.8625
164 NAD 0.540541 0.931507
165 H1Q 0.539326 0.90411
166 AMP DBH 0.539216 0.918919
167 TYR AMP 0.539216 0.894737
168 TAD 0.538462 0.884615
169 DTA 0.5375 0.786667
170 M2T 0.5375 0.734177
171 3DH 0.536585 0.773333
172 AYB 0.536364 0.831325
173 EAD 0.533898 0.873418
174 AHZ 0.533333 0.839506
175 FB0 0.532787 0.784091
176 IOT 0.53211 0.831325
177 A3D 0.530973 0.918919
178 MTA 0.530864 0.773333
179 3AM 0.53012 0.902778
180 AR6 AR6 0.528846 0.944444
181 ARG AMP 0.528846 0.829268
182 A2P 0.528736 0.929577
183 YLA 0.527273 0.841463
184 PPS 0.526882 0.85
185 6AD 0.526882 0.884615
186 BTX 0.526786 0.819277
187 NAE 0.525862 0.894737
188 BT5 0.522124 0.831325
189 A5A 0.521277 0.807229
190 TSB 0.520833 0.819277
191 6RE 0.517647 0.7375
192 P1H 0.516393 0.851852
193 3AT 0.516129 0.944444
194 SSA 0.515789 0.8
195 7MD 0.514286 0.886076
196 52H 0.510417 0.77907
197 NO7 0.510417 0.906667
198 54H 0.510417 0.788235
199 VMS 0.510417 0.788235
200 NSS 0.510204 0.8
201 NAQ 0.508475 0.871795
202 ZAS 0.505882 0.766234
203 A3N 0.505747 0.786667
204 IMO 0.505747 0.902778
205 J7C 0.505747 0.746835
206 R5I 0.505263 0.918919
207 AV2 0.505263 0.891892
208 R7I 0.505263 0.918919
209 53H 0.505155 0.77907
210 5CA 0.505155 0.8
211 8X1 0.505155 0.752809
212 NVA LMS 0.50505 0.752809
213 ARU 0.50505 0.8375
214 9K8 0.504951 0.733333
215 AF3 ADP 3PG 0.504587 0.860759
216 YLY 0.504274 0.831325
217 ZID 0.504202 0.918919
218 LEU LMS 0.5 0.752809
219 V3L 0.5 0.971831
220 FDA 0.5 0.811765
221 2AM 0.5 0.916667
222 DTP 0.5 0.88
223 S4M 0.5 0.666667
224 LPA AMP 0.5 0.839506
225 6MZ 0.5 0.90411
226 FNK 0.496183 0.784091
227 6FA 0.496063 0.841463
228 DZD 0.495652 0.884615
229 P5A 0.49505 0.744444
230 DSZ 0.494949 0.821429
231 LSS 0.494949 0.761364
232 MAO 0.494382 0.759036
233 DSH 0.494253 0.725
234 M24 0.491525 0.873418
235 NJP 0.491228 0.92
236 DAT 0.48913 0.88
237 5X8 0.48913 0.786667
238 SFD 0.488372 0.734043
239 FAD 0.488372 0.851852
240 FAS 0.488372 0.851852
241 NAJ PZO 0.487179 0.848101
242 0WD 0.486957 0.896104
243 NPW 0.486726 0.8625
244 7MC 0.486486 0.864198
245 7DT 0.483871 0.957747
246 7DD 0.483516 0.957747
247 GJV 0.483146 0.728395
248 OVE 0.482759 0.88
249 5AD 0.480519 0.746479
250 KAA 0.480392 0.752809
251 GSU 0.480392 0.8
252 NDE 0.48 0.906667
253 N0B 0.479339 0.841463
254 A5D 0.478723 0.786667
255 ODP 0.478261 0.884615
256 RGT 0.47619 0.958904
257 AMP NAD 0.474138 0.931507
258 4TA 0.474138 0.807229
259 XNP 0.474138 0.85
260 NDP 0.473684 0.896104
261 62F 0.473684 0.8625
262 SFG 0.473118 0.773333
263 NDC 0.472441 0.871795
264 YSA 0.471698 0.77907
265 NAJ PYZ 0.471074 0.807229
266 ENP 0.470588 0.918919
267 FAY 0.470149 0.8625
268 NZQ 0.469565 0.884615
269 TXP 0.469565 0.896104
270 DDS 0.46875 0.853333
271 A7D 0.467391 0.776316
272 RFL 0.466667 0.821429
273 ENQ 0.466019 0.943662
274 AAT 0.463918 0.707317
275 SA8 0.463158 0.728395
276 7C5 0.462963 0.818182
277 MHZ 0.462366 0.697674
278 8PZ 0.462264 0.8
279 G A A A 0.461538 0.848101
280 71V 0.461538 0.883117
281 F2N 0.460993 0.793103
282 NEC 0.460674 0.746667
283 A3G 0.460674 0.8
284 GGZ 0.46 0.825
285 SAH 0.458333 0.766234
286 SAI 0.458333 0.75641
287 6C6 0.458333 0.857143
288 LQJ 0.457944 0.917808
289 B1U 0.457944 0.736264
290 P5F 0.457143 0.823529
291 Y3J 0.45679 0.726027
292 PO4 PO4 A A A A PO4 0.456311 0.902778
293 A A A 0.456311 0.905405
294 7D7 0.455696 0.743243
295 SMM 0.454545 0.705882
296 V1N 0.453704 0.944444
297 SAM 0.453608 0.710843
298 6IA 0.453608 0.814815
299 J4G 0.451923 0.92
300 WSA 0.451327 0.788235
301 U A 0.45 0.883117
302 A G 0.449153 0.858974
303 EEM 0.44898 0.710843
304 PGS 0.446809 0.858974
305 KOY 0.446429 0.826667
306 ETB 0.446281 0.811765
307 DCA 0.446281 0.802326
308 U A G G 0.445378 0.858974
309 2SA 0.444444 0.932432
310 DA 0.444444 0.853333
311 D5M 0.444444 0.853333
312 GP3 0.443299 0.896104
313 9JJ 0.442857 0.8625
314 128 0.442478 0.776471
315 4YB 0.441441 0.781609
316 GEK 0.441176 0.759494
317 S7M 0.44 0.710843
318 30N 0.44 0.734043
319 Z5A 0.44 0.77907
320 AAM 0.43956 0.943662
321 0T1 0.439024 0.802326
322 COA 0.439024 0.802326
323 12D 0.4375 0.785714
324 FA9 0.4375 0.841463
325 AMZ 0.436782 0.890411
326 C2R 0.436782 0.90411
327 A3S 0.43617 0.810811
328 N6P 0.432692 0.888889
329 PUA 0.430894 0.860759
330 A6D 0.428571 0.722892
331 AIR 0.428571 0.875
332 1DG 0.428571 0.896104
333 COS 0.428571 0.784091
334 TAP 0.428571 0.883117
335 N5O 0.428571 0.763158
336 AMX 0.428571 0.811765
337 DG1 0.428571 0.896104
338 CAO 0.428571 0.775281
339 6K6 0.427184 0.90411
340 A3T 0.427083 0.821918
341 NIA 0.426966 0.8
342 649 0.426087 0.744444
343 GTP 0.425743 0.894737
344 CMX 0.425197 0.823529
345 SCO 0.425197 0.823529
346 G2R 0.424528 0.860759
347 GDP 0.424242 0.894737
348 7RA 0.423913 0.930556
349 OXK 0.423077 0.804598
350 0UM 0.423077 0.719512
351 8Q2 0.422414 0.772727
352 ACO 0.421875 0.775281
353 FCX 0.421875 0.795455
354 FAM 0.421875 0.784091
355 GCP 0.421569 0.871795
356 NAP 0.420635 0.918919
357 SXZ 0.420561 0.731707
358 GNH 0.42 0.883117
359 N5A 0.419355 0.736842
360 62X 0.419048 0.686047
361 APU 0.418803 0.87013
362 A U 0.418803 0.87013
363 HAX 0.418605 0.784091
364 NVA 2AD 0.418367 0.759494
365 GDC 0.418182 0.884615
366 GDD 0.418182 0.884615
367 GKE 0.418182 0.884615
368 101 0.417582 0.853333
369 GSP 0.417476 0.85
370 2MC 0.416667 0.75
371 3AD 0.416667 0.805556
372 HDV 0.415842 0.868421
373 FYN 0.415385 0.802326
374 3KK 0.415385 0.784091
375 G2Q 0.415094 0.860759
376 K15 0.415094 0.702381
377 7L1 0.414062 0.775281
378 NA0 0.414062 0.906667
379 IVC 0.413534 0.793103
380 S8M 0.413462 0.759494
381 NHD 0.413223 0.905405
382 7RP 0.413043 0.901408
383 CA6 0.412214 0.71134
384 COK 0.412214 0.784091
385 YZS 0.412214 0.71134
386 MCD 0.412214 0.804598
387 KGP 0.412214 0.71134
388 SOP 0.412214 0.784091
389 CO6 0.409091 0.784091
390 CMC 0.409091 0.804598
391 1VU 0.409091 0.775281
392 NMX 0.409091 0.741935
393 AS 0.408602 0.810127
394 ACK 0.406593 0.861111
395 QQY 0.406593 0.815789
396 6YU 0.40625 0.734043
397 CAJ 0.406015 0.804598
398 SCD 0.406015 0.823529
399 9BG 0.404959 0.871795
400 KGA 0.404412 0.744681
401 8BR 0.404255 0.881579
402 EO7 0.404255 0.788235
403 GNP 0.403846 0.871795
404 9GM 0.403846 0.871795
405 APX 0.40367 0.907895
406 TM1 0.40367 0.77381
407 KB1 0.40367 0.719512
408 SLU 0.403226 0.770115
409 MLC 0.402985 0.804598
410 3HC 0.402985 0.793103
411 KGJ 0.402985 0.734043
412 A1S 0.402985 0.784091
413 1HE 0.402985 0.766667
414 BCO 0.402985 0.784091
415 1CZ 0.402878 0.795455
416 CC5 0.402439 0.816901
417 NMN AMP PO4 0.401639 0.87013
418 FAQ 0.40146 0.784091
419 LCV 0.4 0.721649
420 CAA 0.4 0.793103
421 MCA 0.4 0.795455
422 SO5 0.4 0.721649
423 COO 0.4 0.784091
424 CMP 0.4 0.901408
425 2BA 0.4 0.915493
426 YE1 0.4 0.793103
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1YC5; Ligand: NCA; 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: 1yc5.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
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