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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: 382
No: Ligand ECFP6 Tc MDL keys Tc
1 3OD 1 1
2 OAD 0.782609 1
3 APR 0.747126 0.972222
4 AR6 0.747126 0.972222
5 A2D 0.746988 0.945205
6 9X8 0.726316 0.946667
7 BA3 0.709302 0.945205
8 AP5 0.701149 0.945205
9 B4P 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 HEJ 0.677778 0.945205
16 ATP 0.677778 0.945205
17 AT4 0.674157 0.907895
18 5FA 0.67033 0.945205
19 AQP 0.67033 0.945205
20 CA0 0.666667 0.972603
21 AD9 0.663043 0.92
22 ACP 0.659341 0.92
23 A22 0.649485 0.932432
24 ANP 0.648936 0.92
25 5AL 0.642105 0.986111
26 A3R 0.636364 0.884615
27 A1R 0.636364 0.884615
28 ADQ 0.636364 0.945946
29 PRX 0.634409 0.894737
30 OMR 0.633027 0.9
31 AMP 0.632184 0.917808
32 A 0.632184 0.917808
33 ACQ 0.631579 0.92
34 ADX 0.630435 0.851852
35 ABM 0.629214 0.918919
36 SRP 0.628866 0.933333
37 50T 0.623656 0.906667
38 PAJ 0.62 0.935065
39 ATF 0.618557 0.907895
40 6YZ 0.612245 0.92
41 DQV 0.611111 0.958904
42 ADV 0.610526 0.933333
43 RBY 0.610526 0.933333
44 8QN 0.61 0.986111
45 OOB 0.61 0.958904
46 AMO 0.60396 0.959459
47 4AD 0.60396 0.946667
48 DLL 0.598039 0.958904
49 00A 0.598039 0.909091
50 AP2 0.597826 0.907895
51 A12 0.597826 0.907895
52 ME8 0.596154 0.8875
53 AU1 0.595745 0.92
54 B5Y 0.59434 0.946667
55 25L 0.590476 0.932432
56 SRA 0.588889 0.87013
57 LAD 0.586538 0.886076
58 PR8 0.586538 0.875
59 48N 0.585586 0.947368
60 APC 0.583333 0.907895
61 AHX 0.582524 0.897436
62 T99 0.581633 0.907895
63 TAT 0.581633 0.907895
64 NB8 0.580952 0.922078
65 1ZZ 0.580952 0.8875
66 PTJ 0.580952 0.922078
67 TXA 0.580952 0.986301
68 BIS 0.580952 0.884615
69 NAI 0.580357 0.909091
70 NAX 0.580357 0.875
71 6V0 0.580357 0.897436
72 NXX 0.580357 0.959459
73 DND 0.580357 0.959459
74 TXD 0.580357 0.909091
75 FA5 0.579439 0.933333
76 B5M 0.579439 0.946667
77 25A 0.578431 0.918919
78 5SV 0.578431 0.85
79 CNA 0.577586 0.933333
80 3UK 0.576923 0.945946
81 TXE 0.575221 0.909091
82 A2R 0.574257 0.958904
83 F2R 0.57265 0.865854
84 B5V 0.571429 0.933333
85 WAQ 0.571429 0.909091
86 DAL AMP 0.568627 0.958904
87 MAP 0.568627 0.896104
88 SON 0.568421 0.933333
89 GAP 0.565657 0.92
90 YAP 0.564815 0.921053
91 9ZA 0.563107 0.934211
92 9ZD 0.563107 0.934211
93 ADP PO3 0.561224 0.917808
94 AFH 0.558559 0.886076
95 AP0 0.556522 0.897436
96 9SN 0.555556 0.897436
97 COD 0.554622 0.835294
98 GTA 0.553571 0.8875
99 FYA 0.551402 0.881579
100 G3A 0.54955 0.897436
101 LAQ 0.548673 0.864198
102 PAP 0.545455 0.931507
103 XAH 0.545455 0.841463
104 4UU 0.544643 0.921053
105 G5P 0.544643 0.897436
106 YLP 0.54386 0.865854
107 4UV 0.540541 0.921053
108 ADP ALF 0.539216 0.848101
109 ALF ADP 0.539216 0.848101
110 4UW 0.53913 0.910256
111 TYM 0.534483 0.933333
112 ADP VO4 0.533981 0.906667
113 VO4 ADP 0.533981 0.906667
114 A3D 0.532787 0.945946
115 NA7 0.53271 0.907895
116 GA7 0.530973 0.907895
117 YLC 0.529915 0.8875
118 YLB 0.529915 0.865854
119 139 0.529412 0.875
120 T5A 0.529412 0.865854
121 ADJ 0.529412 0.853659
122 A A 0.527778 0.893333
123 LMS 0.526882 0.807229
124 UP5 0.525862 0.921053
125 A4P 0.525424 0.823529
126 EAD 0.523438 0.898734
127 FB0 0.522727 0.806818
128 ATP A A A 0.522523 0.905405
129 80F 0.520325 0.865854
130 2A5 0.52 0.87013
131 ADP BMA 0.518519 0.92
132 MYR AMP 0.518182 0.864198
133 NAD 0.516393 0.932432
134 NAE 0.515873 0.921053
135 AOC 0.515789 0.8
136 ATR 0.514852 0.917808
137 AYB 0.512397 0.855422
138 RAB 0.511628 0.821918
139 ADN 0.511628 0.821918
140 XYA 0.511628 0.821918
141 5AS 0.510204 0.781609
142 G5A 0.509804 0.781609
143 AHZ 0.508621 0.864198
144 IOT 0.508333 0.833333
145 YLY 0.507937 0.855422
146 P1H 0.507576 0.876543
147 AVV 0.504673 0.873418
148 4TC 0.504202 0.897436
149 UPA 0.504202 0.909091
150 YLA 0.504132 0.843373
151 0WD 0.504065 0.897436
152 NAQ 0.5 0.897436
153 BT5 0.5 0.833333
154 PPS 0.5 0.829268
155 A3P 0.5 0.917808
156 7D4 0.5 0.857143
157 VMS 0.5 0.811765
158 ITT 0.5 0.891892
159 TYR AMP 0.5 0.896104
160 54H 0.5 0.811765
161 NJP 0.495935 0.921053
162 JB6 0.495495 0.860759
163 TSB 0.495327 0.843373
164 A5A 0.495238 0.831325
165 EP4 0.494505 0.75641
166 5CD 0.494382 0.783784
167 A4D 0.494382 0.797297
168 7MC 0.491667 0.888889
169 LPA AMP 0.491525 0.841463
170 ARG AMP 0.491379 0.831325
171 7MD 0.491379 0.8875
172 7D3 0.489796 0.857143
173 DZD 0.488 0.886076
174 TAD 0.487179 0.886076
175 AMP DBH 0.486957 0.894737
176 52H 0.485981 0.802326
177 6AD 0.485714 0.886076
178 3AM 0.484211 0.878378
179 MTA 0.483871 0.776316
180 5N5 0.483146 0.797297
181 9K8 0.482143 0.755556
182 NVA LMS 0.481818 0.775281
183 53H 0.481481 0.802326
184 8X1 0.481481 0.755556
185 HFD 0.480769 0.896104
186 BTX 0.48 0.821429
187 AR6 AR6 0.478632 0.918919
188 6FA 0.478261 0.865854
189 LEU LMS 0.477477 0.775281
190 SSA 0.476636 0.802326
191 3DH 0.473684 0.776316
192 ZID 0.473282 0.92
193 N0B 0.473282 0.843373
194 P5A 0.473214 0.747253
195 M2T 0.473118 0.7375
196 DTA 0.473118 0.766234
197 M24 0.472868 0.875
198 LSS 0.472727 0.784091
199 DSZ 0.472727 0.823529
200 NSS 0.472727 0.802326
201 ODP 0.472 0.886076
202 AF3 ADP 3PG 0.471074 0.8625
203 FDA 0.471014 0.835294
204 A2P 0.47 0.90411
205 FNK 0.468531 0.806818
206 ARU 0.468468 0.839506
207 AMP NAD 0.468254 0.932432
208 5CA 0.46789 0.802326
209 NPW 0.467742 0.864198
210 NDP 0.467742 0.897436
211 NDC 0.467153 0.873418
212 DCA 0.465116 0.825581
213 ETB 0.465116 0.835294
214 J7C 0.464646 0.728395
215 TXP 0.464 0.897436
216 NZQ 0.464 0.886076
217 7D5 0.463158 0.831169
218 3AT 0.462264 0.918919
219 FAS 0.460993 0.876543
220 FAD 0.460993 0.876543
221 6RE 0.459184 0.719512
222 30N 0.458647 0.755319
223 0T1 0.458015 0.825581
224 COA 0.458015 0.825581
225 NAJ PZO 0.457364 0.85
226 G A A A 0.456693 0.85
227 P5F 0.453333 0.847059
228 NDE 0.452555 0.907895
229 5X8 0.451923 0.789474
230 ACO 0.451852 0.797753
231 A A A 0.451327 0.881579
232 SFD 0.450704 0.755319
233 9JJ 0.449664 0.864198
234 DTP 0.448598 0.857143
235 V3L 0.448598 0.945205
236 62F 0.448276 0.864198
237 CAO 0.447761 0.797753
238 AMX 0.447761 0.835294
239 COS 0.447761 0.806818
240 GSU 0.447368 0.802326
241 F2N 0.447368 0.816092
242 KAA 0.447368 0.755556
243 2MC 0.446043 0.771739
244 S4M 0.445545 0.670455
245 XNP 0.445312 0.851852
246 4TA 0.445312 0.831325
247 FAY 0.445205 0.8875
248 8PZ 0.444444 0.802326
249 CMX 0.444444 0.847059
250 SCO 0.444444 0.847059
251 NAJ PYZ 0.443609 0.809524
252 SA8 0.443396 0.753086
253 2AM 0.443299 0.891892
254 RFL 0.442177 0.845238
255 SOP 0.442029 0.806818
256 MAO 0.441176 0.761905
257 FCX 0.441176 0.818182
258 FAM 0.441176 0.806818
259 YSA 0.440678 0.781609
260 AV2 0.440367 0.868421
261 NEC 0.44 0.773333
262 PUA 0.439394 0.8625
263 DAT 0.438095 0.857143
264 SFG 0.438095 0.776316
265 HAX 0.437956 0.806818
266 GEK 0.4375 0.7625
267 SMM 0.436364 0.729412
268 S7M 0.436364 0.73494
269 A3N 0.435644 0.766234
270 IMO 0.435644 0.878378
271 SAM 0.435185 0.73494
272 3KK 0.434783 0.806818
273 FYN 0.434783 0.825581
274 ZAS 0.434343 0.746835
275 A G 0.434109 0.860759
276 7DT 0.433962 0.931507
277 NA0 0.433824 0.933333
278 7DD 0.432692 0.931507
279 OXK 0.431655 0.827586
280 COK 0.431655 0.806818
281 MCD 0.431655 0.827586
282 CA6 0.431655 0.731959
283 GJV 0.431373 0.710843
284 EEM 0.431193 0.73494
285 U A G G 0.430769 0.860759
286 OVE 0.43 0.857143
287 A5D 0.429907 0.766234
288 CAA 0.429577 0.816092
289 1VU 0.428571 0.797753
290 CO6 0.428571 0.806818
291 CMC 0.428571 0.827586
292 NMX 0.428571 0.763441
293 MC4 0.426573 0.763441
294 SAH 0.425926 0.769231
295 SAI 0.425926 0.759494
296 FA9 0.425806 0.865854
297 DSH 0.425743 0.707317
298 A3G 0.425743 0.802632
299 SCD 0.425532 0.847059
300 CAJ 0.425532 0.827586
301 U A 0.424242 0.884615
302 WSA 0.424 0.790698
303 BYC 0.423611 0.806818
304 CA8 0.423611 0.731959
305 7L1 0.423358 0.797753
306 1HE 0.422535 0.788889
307 BCO 0.422535 0.806818
308 MLC 0.422535 0.827586
309 IVC 0.422535 0.816092
310 3HC 0.422535 0.816092
311 A1S 0.422535 0.806818
312 5AD 0.422222 0.75
313 DDS 0.422018 0.831169
314 1CZ 0.421769 0.818182
315 7C5 0.421488 0.820513
316 FAQ 0.42069 0.806818
317 RGT 0.420168 0.933333
318 G1R 0.419643 0.909091
319 COO 0.41958 0.806818
320 MCA 0.41958 0.818182
321 YE1 0.41958 0.816092
322 NAP 0.419118 0.92
323 AAT 0.418182 0.690476
324 APU 0.417323 0.871795
325 SCA 0.416667 0.827586
326 2CP 0.416667 0.818182
327 NVA 2AD 0.416667 0.78481
328 DG1 0.416058 0.897436
329 Z5A 0.416058 0.802326
330 1DG 0.416058 0.897436
331 MHZ 0.415094 0.701149
332 4YB 0.414634 0.784091
333 2SA 0.414414 0.933333
334 2KQ 0.413793 0.808989
335 PO4 PO4 A A A A PO4 0.413793 0.878378
336 HGG 0.413793 0.827586
337 A6D 0.413793 0.705882
338 1GZ 0.413793 0.797753
339 IRC 0.413793 0.816092
340 COF 0.413793 0.788889
341 COW 0.413793 0.797753
342 3CP 0.413793 0.827586
343 N01 0.413534 0.932432
344 6C6 0.412844 0.835443
345 649 0.412698 0.747253
346 A3T 0.411215 0.849315
347 2VA 0.411215 0.826667
348 4CA 0.410959 0.797753
349 BCA 0.410959 0.797753
350 0FQ 0.409396 0.806818
351 6IA 0.409091 0.817073
352 0UM 0.408696 0.743902
353 GRA 0.408163 0.827586
354 HXC 0.408163 0.788889
355 TAP 0.405797 0.860759
356 J7V 0.405797 0.857143
357 A3S 0.40566 0.813333
358 A7D 0.40566 0.75641
359 TGC 0.405405 0.818182
360 62X 0.405172 0.709302
361 128 0.404762 0.758621
362 AMZ 0.40404 0.891892
363 C2R 0.40404 0.905405
364 GGZ 0.403509 0.804878
365 2NE 0.402685 0.788889
366 S0N 0.402685 0.827586
367 CIC 0.402685 0.827586
368 CO8 0.402685 0.788889
369 K15 0.401709 0.72619
370 V1N 0.401639 0.918919
371 NHD 0.401515 0.906667
372 NMN AMP PO4 0.401515 0.871795
373 4KX 0.401316 0.78022
374 71V 0.4 0.860759
375 DCC 0.4 0.788889
376 UCC 0.4 0.788889
377 5F9 0.4 0.788889
378 MFK 0.4 0.788889
379 MYA 0.4 0.788889
380 ST9 0.4 0.788889
381 4CO 0.4 0.797753
382 12D 0.4 0.767442
Ligand no: 2; Ligand: APR; Similar ligands found: 398
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 ADV 0.805195 0.958904
10 RBY 0.805195 0.958904
11 HEJ 0.802632 0.971831
12 ATP 0.802632 0.971831
13 AT4 0.8 0.932432
14 AN2 0.8 0.958333
15 5FA 0.792208 0.971831
16 AQP 0.792208 0.971831
17 AD9 0.782051 0.945205
18 AGS 0.782051 0.92
19 SAP 0.782051 0.92
20 ACP 0.779221 0.945205
21 A 0.753425 0.943662
22 AMP 0.753425 0.943662
23 3OD 0.747126 0.972222
24 PRX 0.746835 0.893333
25 9X8 0.744186 0.945946
26 OAD 0.744186 0.972222
27 CA0 0.74359 0.972222
28 ADX 0.74359 0.873418
29 ACQ 0.740741 0.945205
30 ANP 0.740741 0.945205
31 A22 0.738095 0.958333
32 50T 0.734177 0.931507
33 A2R 0.72619 0.985915
34 ABM 0.723684 0.917808
35 ATF 0.722892 0.932432
36 A1R 0.72093 0.907895
37 ADQ 0.72093 0.972222
38 A3R 0.72093 0.907895
39 6YZ 0.714286 0.945205
40 A12 0.705128 0.932432
41 AP2 0.705128 0.932432
42 SRA 0.697368 0.893333
43 5AL 0.690476 0.958333
44 APC 0.682927 0.932432
45 AU1 0.679012 0.945205
46 TAT 0.678571 0.932432
47 T99 0.678571 0.932432
48 SRP 0.674419 0.932432
49 BIS 0.67033 0.907895
50 25L 0.663043 0.958333
51 4AD 0.662921 0.945946
52 DLL 0.655556 0.958333
53 00A 0.655556 0.907895
54 ADP PO3 0.654762 0.943662
55 8QN 0.651685 0.958333
56 5SV 0.651685 0.848101
57 OOB 0.651685 0.958333
58 25A 0.651685 0.944444
59 DQV 0.649485 0.958333
60 PAJ 0.644444 0.909091
61 AMO 0.644444 0.958904
62 MAP 0.640449 0.92
63 OMR 0.64 0.875
64 AFH 0.639175 0.909091
65 AHX 0.637363 0.896104
66 FYA 0.634409 0.905405
67 3UK 0.630435 0.945205
68 NAX 0.63 0.873418
69 G3A 0.628866 0.896104
70 SON 0.626506 0.932432
71 ALF ADP 0.625 0.87013
72 ADP ALF 0.625 0.87013
73 B5V 0.623656 0.932432
74 PR8 0.623656 0.873418
75 WAQ 0.623656 0.907895
76 LAD 0.623656 0.884615
77 G5P 0.622449 0.896104
78 GAP 0.62069 0.918919
79 LMS 0.620253 0.82716
80 48N 0.62 0.921053
81 ADP VO4 0.617977 0.931507
82 VO4 ADP 0.617977 0.931507
83 AP0 0.617647 0.896104
84 ME8 0.617021 0.8625
85 TXA 0.617021 0.958904
86 PTJ 0.617021 0.896104
87 1ZZ 0.617021 0.8625
88 NB8 0.617021 0.921053
89 GTA 0.616162 0.8625
90 FA5 0.614583 0.932432
91 TXD 0.613861 0.907895
92 NAI 0.613861 0.907895
93 6V0 0.613861 0.896104
94 DND 0.613861 0.958904
95 NXX 0.613861 0.958904
96 TXE 0.607843 0.907895
97 DAL AMP 0.604396 0.931507
98 9SN 0.604167 0.896104
99 UP5 0.598039 0.92
100 YAP 0.597938 0.92
101 B5Y 0.597938 0.92
102 B5M 0.597938 0.92
103 9ZD 0.597826 0.907895
104 9ZA 0.597826 0.907895
105 XAH 0.591837 0.839506
106 RAB 0.589041 0.84507
107 ADN 0.589041 0.84507
108 XYA 0.589041 0.84507
109 2A5 0.586207 0.893333
110 4UV 0.585859 0.92
111 AOC 0.585366 0.821918
112 ADJ 0.584906 0.875
113 7D4 0.581395 0.88
114 ITT 0.581395 0.916667
115 A4P 0.580952 0.821429
116 ATR 0.579545 0.943662
117 PAP 0.579545 0.957747
118 CNA 0.579439 0.932432
119 ADP BMA 0.578947 0.945205
120 5AS 0.576471 0.77907
121 4UU 0.574257 0.92
122 GA7 0.574257 0.906667
123 F2R 0.574074 0.864198
124 5N5 0.573333 0.819444
125 7D3 0.571429 0.88
126 4TC 0.571429 0.896104
127 139 0.570093 0.873418
128 T5A 0.570093 0.841463
129 COD 0.568807 0.811765
130 JB6 0.56701 0.883117
131 A4D 0.565789 0.819444
132 5CD 0.565789 0.805556
133 EP4 0.564103 0.753247
134 LAQ 0.563107 0.8625
135 NA7 0.5625 0.932432
136 TYM 0.561905 0.932432
137 80F 0.558559 0.864198
138 YLP 0.557692 0.841463
139 A A 0.556701 0.917808
140 G5A 0.555556 0.77907
141 HFD 0.555556 0.92
142 4UW 0.552381 0.884615
143 ATP A A A 0.55 0.930556
144 AVV 0.547368 0.896104
145 A3P 0.546512 0.943662
146 MYR AMP 0.545455 0.839506
147 7D5 0.54321 0.853333
148 G1R 0.542553 0.907895
149 YLC 0.542056 0.8625
150 UPA 0.542056 0.907895
151 YLB 0.542056 0.841463
152 NAD 0.540541 0.931507
153 TYR AMP 0.539216 0.894737
154 AMP DBH 0.539216 0.918919
155 TAD 0.538462 0.884615
156 DTA 0.5375 0.786667
157 M2T 0.5375 0.734177
158 3DH 0.536585 0.773333
159 AYB 0.536364 0.831325
160 EAD 0.533898 0.873418
161 AHZ 0.533333 0.839506
162 FB0 0.532787 0.784091
163 IOT 0.53211 0.831325
164 A3D 0.530973 0.918919
165 MTA 0.530864 0.773333
166 3AM 0.53012 0.902778
167 ARG AMP 0.528846 0.829268
168 AR6 AR6 0.528846 0.944444
169 A2P 0.528736 0.929577
170 YLA 0.527273 0.841463
171 6AD 0.526882 0.884615
172 PPS 0.526882 0.85
173 BTX 0.526786 0.819277
174 NAE 0.525862 0.894737
175 BT5 0.522124 0.831325
176 A5A 0.521277 0.807229
177 TSB 0.520833 0.819277
178 6RE 0.517647 0.7375
179 P1H 0.516393 0.851852
180 3AT 0.516129 0.944444
181 SSA 0.515789 0.8
182 7MD 0.514286 0.886076
183 54H 0.510417 0.788235
184 52H 0.510417 0.77907
185 VMS 0.510417 0.788235
186 NSS 0.510204 0.8
187 NAQ 0.508475 0.871795
188 ZAS 0.505882 0.766234
189 IMO 0.505747 0.902778
190 J7C 0.505747 0.746835
191 A3N 0.505747 0.786667
192 AV2 0.505263 0.891892
193 R5I 0.505263 0.918919
194 R7I 0.505263 0.918919
195 53H 0.505155 0.77907
196 5CA 0.505155 0.8
197 8X1 0.505155 0.752809
198 ARU 0.50505 0.8375
199 NVA LMS 0.50505 0.752809
200 9K8 0.504951 0.733333
201 AF3 ADP 3PG 0.504587 0.860759
202 YLY 0.504274 0.831325
203 ZID 0.504202 0.918919
204 S4M 0.5 0.666667
205 V3L 0.5 0.971831
206 FDA 0.5 0.811765
207 LEU LMS 0.5 0.752809
208 DTP 0.5 0.88
209 LPA AMP 0.5 0.839506
210 2AM 0.5 0.916667
211 FNK 0.496183 0.784091
212 6FA 0.496063 0.841463
213 DZD 0.495652 0.884615
214 P5A 0.49505 0.744444
215 DSZ 0.494949 0.821429
216 LSS 0.494949 0.761364
217 MAO 0.494382 0.759036
218 DSH 0.494253 0.725
219 M24 0.491525 0.873418
220 NJP 0.491228 0.92
221 5X8 0.48913 0.786667
222 DAT 0.48913 0.88
223 SFD 0.488372 0.734043
224 FAS 0.488372 0.851852
225 FAD 0.488372 0.851852
226 NAJ PZO 0.487179 0.848101
227 0WD 0.486957 0.896104
228 NPW 0.486726 0.8625
229 7MC 0.486486 0.864198
230 7DT 0.483871 0.957747
231 7DD 0.483516 0.957747
232 GJV 0.483146 0.728395
233 OVE 0.482759 0.88
234 5AD 0.480519 0.746479
235 GSU 0.480392 0.8
236 KAA 0.480392 0.752809
237 NDE 0.48 0.906667
238 N0B 0.479339 0.841463
239 A5D 0.478723 0.786667
240 ODP 0.478261 0.884615
241 RGT 0.47619 0.958904
242 XNP 0.474138 0.85
243 4TA 0.474138 0.807229
244 AMP NAD 0.474138 0.931507
245 62F 0.473684 0.8625
246 NDP 0.473684 0.896104
247 SFG 0.473118 0.773333
248 NDC 0.472441 0.871795
249 YSA 0.471698 0.77907
250 NAJ PYZ 0.471074 0.807229
251 ENP 0.470588 0.918919
252 FAY 0.470149 0.8625
253 TXP 0.469565 0.896104
254 NZQ 0.469565 0.884615
255 DDS 0.46875 0.853333
256 A7D 0.467391 0.776316
257 RFL 0.466667 0.821429
258 ENQ 0.466019 0.943662
259 AAT 0.463918 0.707317
260 SA8 0.463158 0.728395
261 7C5 0.462963 0.818182
262 MHZ 0.462366 0.697674
263 8PZ 0.462264 0.8
264 71V 0.461538 0.883117
265 G A A A 0.461538 0.848101
266 F2N 0.460993 0.793103
267 NEC 0.460674 0.746667
268 A3G 0.460674 0.8
269 GGZ 0.46 0.825
270 6C6 0.458333 0.857143
271 SAH 0.458333 0.766234
272 SAI 0.458333 0.75641
273 P5F 0.457143 0.823529
274 Y3J 0.45679 0.726027
275 A A A 0.456311 0.905405
276 PO4 PO4 A A A A PO4 0.456311 0.902778
277 7D7 0.455696 0.743243
278 SMM 0.454545 0.705882
279 V1N 0.453704 0.944444
280 6IA 0.453608 0.814815
281 SAM 0.453608 0.710843
282 WSA 0.451327 0.788235
283 U A 0.45 0.883117
284 A G 0.449153 0.858974
285 EEM 0.44898 0.710843
286 PGS 0.446809 0.858974
287 ETB 0.446281 0.811765
288 DCA 0.446281 0.802326
289 U A G G 0.445378 0.858974
290 2SA 0.444444 0.932432
291 D5M 0.444444 0.853333
292 DA 0.444444 0.853333
293 GP3 0.443299 0.896104
294 9JJ 0.442857 0.8625
295 128 0.442478 0.776471
296 4YB 0.441441 0.781609
297 GEK 0.441176 0.759494
298 Z5A 0.44 0.77907
299 30N 0.44 0.734043
300 S7M 0.44 0.710843
301 AAM 0.43956 0.943662
302 0T1 0.439024 0.802326
303 COA 0.439024 0.802326
304 12D 0.4375 0.785714
305 FA9 0.4375 0.841463
306 C2R 0.436782 0.90411
307 AMZ 0.436782 0.890411
308 A3S 0.43617 0.810811
309 N6P 0.432692 0.888889
310 PUA 0.430894 0.860759
311 COS 0.428571 0.784091
312 TAP 0.428571 0.883117
313 AMX 0.428571 0.811765
314 1DG 0.428571 0.896104
315 CAO 0.428571 0.775281
316 AIR 0.428571 0.875
317 A6D 0.428571 0.722892
318 DG1 0.428571 0.896104
319 6K6 0.427184 0.90411
320 A3T 0.427083 0.821918
321 NIA 0.426966 0.8
322 649 0.426087 0.744444
323 GTP 0.425743 0.894737
324 SCO 0.425197 0.823529
325 CMX 0.425197 0.823529
326 G2R 0.424528 0.860759
327 GDP 0.424242 0.894737
328 7RA 0.423913 0.930556
329 OXK 0.423077 0.804598
330 0UM 0.423077 0.719512
331 8Q2 0.422414 0.772727
332 FCX 0.421875 0.795455
333 FAM 0.421875 0.784091
334 ACO 0.421875 0.775281
335 GCP 0.421569 0.871795
336 NAP 0.420635 0.918919
337 SXZ 0.420561 0.731707
338 GNH 0.42 0.883117
339 62X 0.419048 0.686047
340 A U 0.418803 0.87013
341 APU 0.418803 0.87013
342 HAX 0.418605 0.784091
343 NVA 2AD 0.418367 0.759494
344 GDC 0.418182 0.884615
345 GKE 0.418182 0.884615
346 GDD 0.418182 0.884615
347 101 0.417582 0.853333
348 GSP 0.417476 0.85
349 3AD 0.416667 0.805556
350 2MC 0.416667 0.75
351 HDV 0.415842 0.868421
352 FYN 0.415385 0.802326
353 3KK 0.415385 0.784091
354 G2Q 0.415094 0.860759
355 K15 0.415094 0.702381
356 NA0 0.414062 0.906667
357 7L1 0.414062 0.775281
358 IVC 0.413534 0.793103
359 S8M 0.413462 0.759494
360 NHD 0.413223 0.905405
361 7RP 0.413043 0.901408
362 MCD 0.412214 0.804598
363 SOP 0.412214 0.784091
364 CA6 0.412214 0.71134
365 COK 0.412214 0.784091
366 1VU 0.409091 0.775281
367 CO6 0.409091 0.784091
368 NMX 0.409091 0.741935
369 CMC 0.409091 0.804598
370 AS 0.408602 0.810127
371 QQY 0.406593 0.815789
372 ACK 0.406593 0.861111
373 6YU 0.40625 0.734043
374 CAJ 0.406015 0.804598
375 SCD 0.406015 0.823529
376 EO7 0.404255 0.788235
377 8BR 0.404255 0.881579
378 GNP 0.403846 0.871795
379 9GM 0.403846 0.871795
380 APX 0.40367 0.907895
381 KB1 0.40367 0.719512
382 TM1 0.40367 0.77381
383 SLU 0.403226 0.770115
384 BCO 0.402985 0.784091
385 MLC 0.402985 0.804598
386 3HC 0.402985 0.793103
387 1HE 0.402985 0.766667
388 A1S 0.402985 0.784091
389 1CZ 0.402878 0.795455
390 CC5 0.402439 0.816901
391 NMN AMP PO4 0.401639 0.87013
392 FAQ 0.40146 0.784091
393 COO 0.4 0.784091
394 YE1 0.4 0.793103
395 MCA 0.4 0.795455
396 CAA 0.4 0.793103
397 2BA 0.4 0.915493
398 CMP 0.4 0.901408
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: 243
This union binding pocket(no: 1) in the query (biounit: 1yc5.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
1 5V6F MAN BMA MAN None
2 3LLZ GAL NGA None
3 2BOS GLA GAL GLC NBU None
4 2BOS GLA GAL GLC None
5 2WSB NAD None
6 5GWT SIN 1.21951
7 5GWT NAD 1.21951
8 3OFK SAH 1.38889
9 3LU1 NAD 1.62602
10 4O08 PO6 1.62602
11 5UFN SAH 1.68067
12 1DJL NAP 1.93237
13 1V59 NAD 2.03252
14 3RFV NAI 2.03252
15 3LL5 IP8 2.03252
16 1UDB NAD 2.03252
17 1UDB UFG 2.03252
18 3VYW SAM 2.03252
19 4JNA FAD 2.03252
20 1D4O NAP 2.17391
21 3BP1 GUN 2.43902
22 4KGD FAD 2.43902
23 4KGD TDP 2.43902
24 5MPT SAH 2.43902
25 4KRI SAH 2.43902
26 3GWZ SAH 2.43902
27 1KEW NAD 2.43902
28 1BW9 NAD 2.43902
29 1KEW TYD 2.43902
30 2EWM NAD 2.43902
31 3CGD NAD 2.43902
32 3CGD FAD 2.43902
33 6DNT NAD 2.43902
34 2C5A NAD 2.43902
35 2C5A GDC 2.43902
36 3CGD COA 2.43902
37 3GXO SAH 2.43902
38 5WP5 SAH 2.43902
39 2XYQ SAH 2.43902
40 4ITU 1HS 2.43902
41 4ITU NAI 2.43902
42 1A8U BEZ 2.52708
43 5LOG SAH 2.57511
44 6GAQ FMN 2.5974
45 5WHU SIA 2.68456
46 3DXY SAM 2.75229
47 2HMT NAI 2.77778
48 1PZM 5GP 2.8436
49 2UYQ SAM 2.84553
50 3GU3 SAH 2.84553
51 5H6S HDH 2.84553
52 5FA5 MTA 2.84553
53 2ZWI C5P 2.84553
54 5KOK SAH 2.84553
55 4HXY NDP 2.84553
56 4MIG G3F 2.84553
57 1FP2 SAH 2.84553
58 2ZIF SAM 2.84553
59 4GLL NAD 2.84553
60 1ZEM NAD 2.84553
61 5ULP KB1 2.84553
62 1XDS SAM 2.84553
63 5N17 8FK 2.89855
64 1WY7 SAH 2.89855
65 4FGC PQ0 3.0303
66 3DGY 2GP 3.09278
67 6DUB SAH 3.15315
68 1O5O U5P 3.16742
69 2OG2 MLI 3.25203
70 3B9Q MLI 3.25203
71 4KIB SAH 3.25203
72 3DEF GDP 3.25203
73 4YAC NAI 3.25203
74 1NAA 6FA 3.25203
75 1NAA ABL 3.25203
76 3I9U DTU 3.25203
77 2CE7 ADP 3.25203
78 4RDH AMP 3.25203
79 4PTN PYR 3.25203
80 1Y13 BIO 3.31492
81 3LCC SAH 3.40426
82 2XVM SAH 3.51759
83 6BYF CIT 3.52941
84 2BHZ MAL 3.65854
85 4L2I FAD 3.65854
86 3FXU TSU 3.65854
87 3DUV KDO 3.65854
88 5E9W SAH 3.65854
89 1P77 ATR 3.65854
90 2HK9 ATR 3.65854
91 2EJU SAH 3.65854
92 3HQP OXL 3.65854
93 1LVW TYD 3.65854
94 1I2B NAD 3.65854
95 1I2B USQ 3.65854
96 1I2B UPG 3.65854
97 4KRG SAH 3.65854
98 3P2E SAH 3.65854
99 5NM7 GLY 3.65854
100 4LWP SAH 3.65854
101 1V5F TPP 4.06504
102 1V5F FAD 4.06504
103 3L9W AMP 4.06504
104 2V3V MGD 4.06504
105 4BTV RB3 4.06504
106 5O42 9JW 4.06504
107 5O42 NAD 4.06504
108 5O42 BGC 4.06504
109 4MOP 2H5 4.06504
110 1GY8 NAD 4.06504
111 1BXK NAD 4.06504
112 2Q1S NAI 4.06504
113 6FDF SAH 4.06504
114 1SQL GUN 4.10959
115 4NTM 2K8 4.13223
116 4JWK CTN 4.14508
117 3LN9 FLC 4.31655
118 4P86 5GP 4.37158
119 4D5G FAD 4.47154
120 4D5G TPP 4.47154
121 3VSE SAH 4.47154
122 5HJM MTA 4.47154
123 2AWN ADP 4.47154
124 4YAG NAI 4.47154
125 5CDH TLA 4.47154
126 5KXE 6Y2 4.52675
127 5F8F SFG 4.87805
128 2YX1 SFG 4.87805
129 1NW5 SAM 4.87805
130 5THY SAH 4.87805
131 4YKI GLY 4.87805
132 5X62 SAH 4.87805
133 3VC1 SAH 4.87805
134 4UP4 NDG 4.87805
135 5HSA FAS 4.87805
136 3BXO SAM 5.02092
137 1NBU PH2 5.04202
138 1YBH FAD 5.28455
139 3RKR NAP 5.28455
140 2O07 SPD 5.28455
141 2O07 MTA 5.28455
142 3W5J GDP 5.39216
143 4I4S LAT 5.47945
144 1T9D PYD 5.613
145 1T9D 1MM 5.613
146 1T9D P25 5.613
147 1T9D FAD 5.613
148 5LW0 AR6 5.62771
149 6DEN TP9 5.69106
150 6DEN FAD 5.69106
151 6DEN G8A 5.69106
152 1EFV FAD 5.69106
153 1EFV AMP 5.69106
154 5DNK SAH 5.69106
155 1PJS NAD 5.69106
156 4ZRN UPG 5.69106
157 4ZRN NAD 5.69106
158 2P3V SRT 5.69106
159 1GZ6 NAI 5.69106
160 4N49 SAM 5.69106
161 1H5R THM 5.69106
162 1ORR NAD 5.69106
163 2HNK SAH 5.69106
164 3I53 SAH 5.72289
165 1UAY ADN 5.78512
166 2C3W GLC GLC GLC GLC 5.88235
167 5X7Q GLC GLC GLC GLC 6.09756
168 5X7Q GLC GLC GLC 6.09756
169 2AOT SAH 6.09756
170 2WA2 SAM 6.09756
171 1EK6 NAI 6.09756
172 5GMH RX8 6.09756
173 1EK6 UPG 6.09756
174 3JWH SAH 6.45161
175 4NEC SAH 6.50407
176 5WP4 SAH 6.50407
177 2BGM NAJ 6.50407
178 1R27 MGD 6.50407
179 5AO7 AH0 NAG 6.50407
180 4X7Y SAH 6.91057
181 1VMK GUN 6.91057
182 5K7U SAM 6.91057
183 5IL1 SAM 7.07547
184 1JG3 ADN 7.23404
185 1COY FAD 7.31707
186 1ZX5 LFR 7.31707
187 1RL4 BL5 7.44681
188 5E1M SAH 7.46888
189 2EG5 SAH 7.72358
190 3KO8 NAD 7.72358
191 4ZDJ UTP 7.72358
192 1ZQ9 SAM 8.13008
193 3IB1 IMN 8.13008
194 6F97 FAD 8.13008
195 4QTU SAM 8.14815
196 3T7S SAM 8.53659
197 4AMV F6R 8.53659
198 6EGU 43Y 8.94309
199 1HGX 5GP 9.28962
200 2C31 TZD 9.34959
201 2C31 ADP 9.34959
202 2VDV SAM 9.34959
203 3BGD SAH 9.34959
204 2BZG SAH 9.48276
205 1U7T TDT 9.7561
206 1G60 SAM 9.7561
207 1H65 GDP 10
208 4DMG SAM 10.1626
209 5XWV 8H6 10.1626
210 5XWV NDP 10.1626
211 3EGI ADP 10.1942
212 4XBA GMP 10.5
213 1EJ0 SAM 10.5556
214 1LVG ADP 10.6061
215 2IZ1 ATR 11.3821
216 4CQM NAP 11.4754
217 3EYA FAD 11.7886
218 1O97 FAD 12.1212
219 1O97 AMP 12.1212
220 2I7C AAT 12.1951
221 2PT9 2MH 12.1951
222 2GKS ADP 13.0081
223 4Y9D NAI 13.4146
224 1L3I SAH 14.0625
225 3IP8 B85 14.2276
226 2W68 SIA GAL BGC 14.359
227 4YDD MGD 15.4472
228 4YDD MD1 15.4472
229 5WKC FAD 15.4472
230 1KYQ NAD 15.8537
231 5E8J SAH 15.9091
232 1NM5 NAP 16.2562
233 1NM5 NAD 16.2562
234 3PT9 SAH 16.6667
235 2FSH ANP 16.6667
236 2Q28 ADP 17.8862
237 1PNO NAP 18.3333
238 2OOR TXP 18.9655
239 1G7C 5GP 21.2766
240 1LSS NAD 22.1429
241 5A3B APR 28.0488
242 3O7W SAM 38.8889
243 5W3X ACO 38.8889
244 3U31 NAD 50
245 1W1A NDG 50
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