Receptor
PDB id Resolution Class Description Source Keywords
1S7G 2.3 Å EC: 3.5.1.- STRUCTURAL BASIS FOR THE MECHANISM AND REGULATION OF SIR2 ENZYMES ARCHAEOGLOBUS FULGIDUS ENZYME SIRTUIN SIR2 NAD+ ADP-RIBOSE TRANSCRIPTION
Ref.: STRUCTURAL BASIS FOR THE MECHANISM AND REGULATION OF SIR2 ENZYMES MOL.CELL V. 13 639 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
1PE A:504;
Invalid;
none;
submit data
238.278 C10 H22 O6 C(COC...
2PE B:501;
Invalid;
none;
submit data
414.488 C18 H38 O10 C(COC...
APR E:704;
Valid;
none;
submit data
559.316 C15 H23 N5 O14 P2 c1nc(...
EDO A:505;
B:507;
B:508;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
NAD A:703;
B:701;
C:702;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
663.425 C21 H27 N7 O14 P2 c1cc(...
P6G C:502;
Invalid;
none;
submit data
282.331 C12 H26 O7 C(COC...
PG4 C:506;
D:503;
Invalid;
Invalid;
none;
none;
submit data
194.226 C8 H18 O5 C(COC...
SO4 A:401;
A:405;
A:407;
A:412;
B:402;
B:404;
B:409;
B:410;
C:406;
C:411;
D:403;
D:408;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
ZN A:601;
A:602;
B:603;
B:604;
C:605;
C:606;
D:607;
D:608;
E:609;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1S7G 2.3 Å EC: 3.5.1.- STRUCTURAL BASIS FOR THE MECHANISM AND REGULATION OF SIR2 ENZYMES ARCHAEOGLOBUS FULGIDUS ENZYME SIRTUIN SIR2 NAD+ ADP-RIBOSE TRANSCRIPTION
Ref.: STRUCTURAL BASIS FOR THE MECHANISM AND REGULATION OF SIR2 ENZYMES MOL.CELL V. 13 639 2004
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 27 families.
1 1S7G - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
2 1YC2 - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 25 families.
1 1S7G - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
2 1YC2 - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
50% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 4BUZ - OAD C17 H25 N5 O15 P2 CC(=O)O[C@....
2 3D4B - THR SER ARG HIS LYS ALY LEU MET ALA n/a n/a
3 3D81 - SER ARG HIS LYS FZN LEU MET PHE n/a n/a
4 1S5P Kd = 0.44 uM LYS GLY GLY ALA ALY ARG HIS ARG n/a n/a
5 4UTV Ki = 100 uM BEZ GLY VAL LEU LYS GLU TYR GLY VAL FSL n/a n/a
6 1M2K - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
7 1M2J - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
8 1M2G - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
9 1ICI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
10 1M2H - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
11 2NYR - SVR C51 H40 N6 O23 S6 Cc1ccc(cc1....
12 4G1C - CNA C22 H30 N7 O13 P2 c1cc(c[n+]....
13 1S7G - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
14 1YC2 - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: APR; Similar ligands found: 380
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 ATP 0.802632 0.971831
12 AN2 0.8 0.958333
13 AQP 0.792208 0.971831
14 5FA 0.792208 0.971831
15 AD9 0.782051 0.945205
16 AGS 0.782051 0.92
17 SAP 0.782051 0.92
18 ACP 0.779221 0.945205
19 AMP 0.753425 0.943662
20 A 0.753425 0.943662
21 3OD 0.747126 0.972222
22 PRX 0.746835 0.893333
23 OAD 0.744186 0.972222
24 CA0 0.74359 0.972222
25 ADX 0.74359 0.873418
26 ACQ 0.740741 0.945205
27 ANP 0.740741 0.945205
28 A22 0.738095 0.958333
29 50T 0.734177 0.931507
30 A2R 0.72619 0.985915
31 ABM 0.723684 0.917808
32 ATF 0.722892 0.932432
33 ADQ 0.72093 0.972222
34 A1R 0.72093 0.907895
35 AMP MG 0.710526 0.891892
36 AP2 0.705128 0.932432
37 A12 0.705128 0.932432
38 SRA 0.697368 0.893333
39 5AL 0.690476 0.958333
40 APC 0.682927 0.932432
41 ADP MG 0.679012 0.905405
42 AU1 0.679012 0.945205
43 TAT 0.678571 0.932432
44 SRP 0.674419 0.932432
45 ADP BEF 0.670732 0.881579
46 BEF ADP 0.670732 0.881579
47 BIS 0.67033 0.907895
48 25L 0.663043 0.958333
49 4AD 0.662921 0.945946
50 DLL 0.655556 0.958333
51 00A 0.655556 0.907895
52 ADP PO3 0.654762 0.943662
53 25A 0.651685 0.944444
54 OOB 0.651685 0.958333
55 5SV 0.651685 0.848101
56 8QN 0.651685 0.958333
57 ATP MG 0.647059 0.905405
58 AMO 0.644444 0.958904
59 PAJ 0.644444 0.909091
60 MAP 0.640449 0.92
61 OMR 0.64 0.875
62 AFH 0.639175 0.909091
63 AHX 0.637363 0.896104
64 FYA 0.634409 0.905405
65 3UK 0.630435 0.945205
66 NAX 0.63 0.873418
67 G3A 0.628866 0.896104
68 SON 0.626506 0.932432
69 ALF ADP 0.625 0.87013
70 ADP ALF 0.625 0.87013
71 WAQ 0.623656 0.907895
72 PR8 0.623656 0.873418
73 LAD 0.623656 0.884615
74 G5P 0.622449 0.896104
75 GAP 0.62069 0.918919
76 48N 0.62 0.921053
77 ANP MG 0.617977 0.894737
78 ADP VO4 0.617977 0.931507
79 VO4 ADP 0.617977 0.931507
80 AP0 0.617647 0.896104
81 ME8 0.617021 0.8625
82 NB8 0.617021 0.921053
83 1ZZ 0.617021 0.8625
84 PTJ 0.617021 0.896104
85 TXA 0.617021 0.958904
86 GTA 0.616162 0.8625
87 FA5 0.614583 0.932432
88 NAI 0.613861 0.907895
89 TXD 0.613861 0.907895
90 6V0 0.613861 0.896104
91 DND 0.613861 0.958904
92 NXX 0.613861 0.958904
93 TXE 0.607843 0.907895
94 9SN 0.604167 0.896104
95 UP5 0.598039 0.92
96 YAP 0.597938 0.92
97 XAH 0.591837 0.839506
98 XYA 0.589041 0.84507
99 RAB 0.589041 0.84507
100 ADN 0.589041 0.84507
101 DAL AMP 0.586957 0.931507
102 2A5 0.586207 0.893333
103 4UV 0.585859 0.92
104 AOC 0.585366 0.821918
105 ADJ 0.584906 0.875
106 7D4 0.581395 0.88
107 ITT 0.581395 0.916667
108 A4P 0.580952 0.821429
109 PAP 0.579545 0.957747
110 ATR 0.579545 0.943662
111 CNA 0.579439 0.932432
112 ADP BMA 0.578947 0.945205
113 5AS 0.576471 0.77907
114 4UU 0.574257 0.92
115 5N5 0.573333 0.819444
116 7D3 0.571429 0.88
117 4TC 0.571429 0.896104
118 T5A 0.570093 0.841463
119 139 0.570093 0.873418
120 COD 0.568807 0.811765
121 JB6 0.56701 0.883117
122 5CD 0.565789 0.805556
123 A4D 0.565789 0.819444
124 EP4 0.564103 0.753247
125 LAQ 0.563107 0.8625
126 NA7 0.5625 0.932432
127 TYM 0.561905 0.932432
128 YLP 0.557692 0.841463
129 A A 0.556701 0.917808
130 G5A 0.555556 0.77907
131 4UW 0.552381 0.884615
132 ATP A A A 0.55 0.930556
133 AVV 0.547368 0.896104
134 A3P 0.546512 0.943662
135 MYR AMP 0.545455 0.839506
136 7D5 0.54321 0.853333
137 G1R 0.542553 0.907895
138 UPA 0.542056 0.907895
139 YLB 0.542056 0.841463
140 YLC 0.542056 0.8625
141 NAD 0.540541 0.931507
142 AMP DBH 0.539216 0.918919
143 TAD 0.538462 0.884615
144 DTA 0.5375 0.786667
145 M2T 0.5375 0.734177
146 3DH 0.536585 0.773333
147 AYB 0.536364 0.831325
148 EAD 0.533898 0.873418
149 AHZ 0.533333 0.839506
150 FB0 0.532787 0.784091
151 IOT 0.53211 0.831325
152 A3D 0.530973 0.918919
153 MTA 0.530864 0.773333
154 3AM 0.53012 0.902778
155 TYR AMP 0.529412 0.906667
156 AR6 AR6 0.528846 0.944444
157 A2P 0.528736 0.929577
158 YLA 0.527273 0.841463
159 6AD 0.526882 0.884615
160 PPS 0.526882 0.85
161 BTX 0.526786 0.819277
162 NAE 0.525862 0.894737
163 BT5 0.522124 0.831325
164 A5A 0.521277 0.807229
165 TSB 0.520833 0.819277
166 6RE 0.517647 0.7375
167 P1H 0.516393 0.851852
168 3AT 0.516129 0.944444
169 SSA 0.515789 0.8
170 7MD 0.514286 0.886076
171 VMS 0.510417 0.788235
172 54H 0.510417 0.788235
173 52H 0.510417 0.77907
174 NSS 0.510204 0.8
175 NAQ 0.508475 0.871795
176 ZAS 0.505882 0.766234
177 IMO 0.505747 0.902778
178 A3N 0.505747 0.786667
179 J7C 0.505747 0.746835
180 AV2 0.505263 0.891892
181 53H 0.505155 0.77907
182 5CA 0.505155 0.8
183 ARU 0.50505 0.8375
184 ARG AMP 0.504673 0.829268
185 ALF ADP 3PG 0.504587 0.860759
186 AF3 ADP 3PG 0.504587 0.860759
187 LA8 ALF 3PG 0.504587 0.860759
188 YLY 0.504274 0.831325
189 ZID 0.504202 0.918919
190 2AM 0.5 0.916667
191 S4M 0.5 0.666667
192 DTP 0.5 0.88
193 FDA 0.5 0.811765
194 LPA AMP 0.5 0.839506
195 V3L 0.5 0.971831
196 FNK 0.496183 0.784091
197 6FA 0.496063 0.841463
198 DZD 0.495652 0.884615
199 P5A 0.49505 0.744444
200 LSS 0.494949 0.761364
201 DSZ 0.494949 0.821429
202 MAO 0.494382 0.759036
203 DSH 0.494253 0.725
204 M24 0.491525 0.873418
205 NJP 0.491228 0.92
206 NVA LMS 0.49 0.761364
207 DAT 0.48913 0.88
208 5X8 0.48913 0.786667
209 FAD 0.488372 0.851852
210 FAS 0.488372 0.851852
211 SFD 0.488372 0.734043
212 NAJ PZO 0.487179 0.848101
213 0WD 0.486957 0.896104
214 NPW 0.486726 0.8625
215 7MC 0.486486 0.864198
216 LEU LMS 0.485149 0.761364
217 7DT 0.483871 0.957747
218 7DD 0.483516 0.957747
219 GJV 0.483146 0.728395
220 OVE 0.482759 0.88
221 5AD 0.480519 0.746479
222 GSU 0.480392 0.8
223 KAA 0.480392 0.752809
224 NDE 0.48 0.906667
225 N0B 0.479339 0.841463
226 A5D 0.478723 0.786667
227 NAD IBO 0.478261 0.87013
228 ODP 0.478261 0.884615
229 RGT 0.47619 0.958904
230 XNP 0.474138 0.85
231 4TA 0.474138 0.807229
232 NDP 0.473684 0.896104
233 62F 0.473684 0.8625
234 SFG 0.473118 0.773333
235 NDC 0.472441 0.871795
236 YSA 0.471698 0.77907
237 ENP 0.470588 0.918919
238 FAY 0.470149 0.8625
239 TXP 0.469565 0.896104
240 NZQ 0.469565 0.884615
241 DDS 0.46875 0.853333
242 A7D 0.467391 0.776316
243 RFL 0.466667 0.821429
244 ENQ 0.466019 0.943662
245 AAT 0.463918 0.707317
246 SA8 0.463158 0.728395
247 7C5 0.462963 0.818182
248 MHZ 0.462366 0.697674
249 71V 0.461538 0.883117
250 G A A A 0.461538 0.848101
251 F2N 0.460993 0.793103
252 NEC 0.460674 0.746667
253 A3G 0.460674 0.8
254 GGZ 0.46 0.825
255 NAJ PYZ 0.459016 0.85
256 SAH 0.458333 0.766234
257 6C6 0.458333 0.857143
258 SAI 0.458333 0.75641
259 P5F 0.457143 0.823529
260 Y3J 0.45679 0.726027
261 A A A 0.456311 0.905405
262 PO4 PO4 A A A A PO4 0.456311 0.902778
263 7D7 0.455696 0.743243
264 SMM 0.454545 0.705882
265 V1N 0.453704 0.944444
266 6IA 0.453608 0.814815
267 SAM 0.453608 0.710843
268 WSA 0.451327 0.788235
269 EEM 0.44898 0.710843
270 PGS 0.446809 0.858974
271 DCA 0.446281 0.802326
272 ETB 0.446281 0.811765
273 U A G G 0.445378 0.858974
274 2SA 0.444444 0.932432
275 DA 0.444444 0.853333
276 D5M 0.444444 0.853333
277 AMP NAD 0.443548 0.906667
278 GP3 0.443299 0.896104
279 128 0.442478 0.776471
280 4YB 0.441441 0.781609
281 GEK 0.441176 0.759494
282 Z5A 0.44 0.77907
283 30N 0.44 0.734043
284 S7M 0.44 0.710843
285 AAM 0.43956 0.943662
286 0T1 0.439024 0.802326
287 COA 0.439024 0.802326
288 FA9 0.4375 0.841463
289 12D 0.4375 0.785714
290 AMZ 0.436782 0.890411
291 C2R 0.436782 0.90411
292 A3S 0.43617 0.810811
293 N6P 0.432692 0.888889
294 PUA 0.430894 0.860759
295 PLP AAD 0.429752 0.741573
296 AMX 0.428571 0.811765
297 AIR 0.428571 0.875
298 TAP 0.428571 0.883117
299 1DG 0.428571 0.896104
300 A6D 0.428571 0.722892
301 DG1 0.428571 0.896104
302 COS 0.428571 0.784091
303 CAO 0.428571 0.775281
304 6K6 0.427184 0.90411
305 A3T 0.427083 0.821918
306 NIA 0.426966 0.8
307 649 0.426087 0.744444
308 GTP 0.425743 0.894737
309 CMX 0.425197 0.823529
310 SCO 0.425197 0.823529
311 G2R 0.424528 0.860759
312 GDP 0.424242 0.894737
313 7RA 0.423913 0.930556
314 0UM 0.423077 0.719512
315 OXK 0.423077 0.804598
316 ACO 0.421875 0.775281
317 FCX 0.421875 0.795455
318 FAM 0.421875 0.784091
319 GCP 0.421569 0.871795
320 NAP 0.420635 0.918919
321 SXZ 0.420561 0.731707
322 GNH 0.42 0.883117
323 62X 0.419048 0.686047
324 APU 0.418803 0.87013
325 A U 0.418803 0.87013
326 HAX 0.418605 0.784091
327 GDD 0.418182 0.884615
328 GKE 0.418182 0.884615
329 GDC 0.418182 0.884615
330 101 0.417582 0.853333
331 GSP 0.417476 0.85
332 2MC 0.416667 0.75
333 3AD 0.416667 0.805556
334 FYN 0.415385 0.802326
335 3KK 0.415385 0.784091
336 G2Q 0.415094 0.860759
337 K15 0.415094 0.702381
338 NA0 0.414062 0.906667
339 IVC 0.413534 0.793103
340 S8M 0.413462 0.759494
341 NHD 0.413223 0.905405
342 7RP 0.413043 0.901408
343 COK 0.412214 0.784091
344 CA6 0.412214 0.71134
345 MCD 0.412214 0.804598
346 SOP 0.412214 0.784091
347 NMX 0.409091 0.741935
348 CMC 0.409091 0.804598
349 1VU 0.409091 0.775281
350 CO6 0.409091 0.784091
351 AS 0.408602 0.810127
352 CNV FAD 0.408451 0.772727
353 ACK 0.406593 0.861111
354 QQY 0.406593 0.815789
355 6YU 0.40625 0.734043
356 SCD 0.406015 0.823529
357 CAJ 0.406015 0.804598
358 NAD BBN 0.405797 0.841463
359 8BR 0.404255 0.881579
360 GNP 0.403846 0.871795
361 APX 0.40367 0.907895
362 TM1 0.40367 0.77381
363 KB1 0.40367 0.719512
364 SLU 0.403226 0.770115
365 3HC 0.402985 0.793103
366 1HE 0.402985 0.766667
367 MLC 0.402985 0.804598
368 BCO 0.402985 0.784091
369 A1S 0.402985 0.784091
370 1CZ 0.402878 0.795455
371 CC5 0.402439 0.816901
372 NMN AMP PO4 0.401639 0.87013
373 FAQ 0.40146 0.784091
374 CAA 0.4 0.793103
375 COO 0.4 0.784091
376 2BA 0.4 0.915493
377 MCA 0.4 0.795455
378 YE1 0.4 0.793103
379 CMP 0.4 0.901408
380 NAD CJ3 0.4 0.811765
Ligand no: 2; Ligand: NAD; Similar ligands found: 220
No: Ligand ECFP6 Tc MDL keys Tc
1 A3D 0.872727 0.986111
2 NAD IBO 0.845455 0.933333
3 NHD 0.821429 0.972222
4 NAP 0.811966 0.986111
5 NAJ PYZ 0.803419 0.910256
6 NFD 0.791304 0.946667
7 NXX 0.765766 0.972603
8 DND 0.765766 0.972603
9 ZID 0.737705 0.986111
10 NAQ 0.729508 0.934211
11 NAE 0.721311 0.959459
12 NA0 0.712 0.972603
13 TAP 0.704 0.921053
14 AMP NAD 0.696 0.945946
15 NDE 0.689922 0.972603
16 NAJ 0.683333 0.972222
17 NDC 0.679389 0.934211
18 NDO 0.674603 0.958904
19 N01 0.656 0.972222
20 CNA 0.642276 0.972603
21 NBP 0.621212 0.922078
22 NAD BBN 0.609929 0.876543
23 8ID 0.609756 0.922078
24 NAD CJ3 0.601399 0.845238
25 ADP MG 0.579439 0.918919
26 A2D 0.576923 0.958333
27 ADP 0.575472 0.931507
28 NGD 0.574803 0.922078
29 BEF ADP 0.574074 0.894737
30 ADP BEF 0.574074 0.894737
31 BA3 0.566038 0.958333
32 NAD NDT 0.565789 0.755319
33 M33 0.564815 0.918919
34 ADP PO3 0.563636 0.957747
35 B4P 0.560748 0.958333
36 AP5 0.560748 0.958333
37 ATP MG 0.558559 0.918919
38 AN2 0.555556 0.918919
39 GAP 0.553571 0.932432
40 OOB 0.551724 0.972222
41 CA0 0.550459 0.932432
42 ATP 0.545455 0.931507
43 ACP 0.545455 0.906667
44 NAD TDB 0.544872 0.70297
45 ADP ALF 0.54386 0.883117
46 ALF ADP 0.54386 0.883117
47 5FA 0.540541 0.931507
48 AQP 0.540541 0.931507
49 APR 0.540541 0.931507
50 AR6 0.540541 0.931507
51 ANP MG 0.53913 0.907895
52 VO4 ADP 0.53913 0.945205
53 ADP VO4 0.53913 0.945205
54 AGS 0.535714 0.883117
55 SAP 0.535714 0.883117
56 AD9 0.535714 0.906667
57 WAQ 0.533333 0.896104
58 ABM 0.53271 0.905405
59 00A 0.529412 0.921053
60 DLL 0.529412 0.972222
61 ANP 0.526316 0.906667
62 NJP 0.526316 0.959459
63 ACQ 0.526316 0.906667
64 OAD 0.525 0.932432
65 AMP MG 0.523364 0.905405
66 ADX 0.522523 0.839506
67 5AL 0.521739 0.945205
68 A1R 0.521008 0.871795
69 9SN 0.520325 0.909091
70 AMP 0.518868 0.930556
71 A 0.518868 0.930556
72 50T 0.517857 0.893333
73 ATF 0.517241 0.894737
74 DAL AMP 0.516949 0.945205
75 3OD 0.516393 0.932432
76 1ZZ 0.516393 0.851852
77 SON 0.513514 0.92
78 PRX 0.513274 0.881579
79 SRP 0.512821 0.92
80 ADP BMA 0.512397 0.932432
81 3UK 0.512397 0.958904
82 MYR AMP 0.512195 0.851852
83 NAJ PZO 0.510949 0.909091
84 NMN 0.509434 0.875
85 AMP DBH 0.507937 0.906667
86 A22 0.504202 0.945205
87 FA5 0.504 0.945946
88 ATP A A A 0.504 0.971831
89 TYR AMP 0.5 0.945946
90 8QN 0.5 0.945205
91 NAX 0.496183 0.886076
92 PR8 0.495935 0.8625
93 PAJ 0.495868 0.873418
94 4AD 0.495868 0.933333
95 AMO 0.495868 0.92
96 ADQ 0.495868 0.932432
97 A12 0.495495 0.894737
98 AP2 0.495495 0.894737
99 ALF ADP 3PG 0.492424 0.873418
100 LA8 ALF 3PG 0.492424 0.873418
101 AHZ 0.492308 0.851852
102 YAP 0.492063 0.933333
103 FYA 0.491935 0.918919
104 AHX 0.491803 0.884615
105 4UU 0.488372 0.933333
106 5SV 0.487603 0.8375
107 TAT 0.487179 0.894737
108 APC 0.486957 0.894737
109 SRA 0.486239 0.881579
110 NAI 0.484848 0.921053
111 6V0 0.484848 0.909091
112 GTA 0.484615 0.898734
113 A A 0.483871 0.958333
114 LAD 0.483871 0.873418
115 AU1 0.482456 0.906667
116 TXE 0.481203 0.921053
117 AF3 ADP 3PG 0.481203 0.873418
118 OMR 0.481203 0.841463
119 LAQ 0.480916 0.851852
120 G3A 0.48062 0.909091
121 TXA 0.48 0.92
122 NB8 0.48 0.884615
123 ME8 0.48 0.851852
124 BIS 0.48 0.871795
125 PTJ 0.48 0.884615
126 139 0.477941 0.886076
127 LPA AMP 0.477273 0.851852
128 AR6 AR6 0.476923 0.958333
129 G5P 0.476923 0.909091
130 AFH 0.476923 0.873418
131 25L 0.47619 0.945205
132 25A 0.47541 0.958333
133 DZD 0.47482 0.897436
134 TXD 0.473684 0.921053
135 4UV 0.472868 0.933333
136 TYM 0.470149 0.945946
137 ADV 0.470085 0.894737
138 RBY 0.470085 0.894737
139 ARG AMP 0.469697 0.841463
140 4TA 0.467626 0.864198
141 48N 0.466165 0.884615
142 XAH 0.465116 0.851852
143 4UW 0.462687 0.897436
144 M24 0.461538 0.886076
145 IOT 0.459854 0.821429
146 T5A 0.456522 0.853659
147 EAD 0.455782 0.886076
148 MAP 0.455285 0.883117
149 BT5 0.453901 0.821429
150 A4P 0.452555 0.833333
151 UP5 0.451852 0.933333
152 PAP 0.445378 0.917808
153 AP0 0.445255 0.884615
154 4TC 0.445255 0.909091
155 YLP 0.444444 0.831325
156 P1H 0.443709 0.864198
157 AOC 0.442478 0.810811
158 Z5A 0.439189 0.833333
159 2A5 0.436975 0.857143
160 G A A A 0.43662 0.909091
161 COD 0.43662 0.802326
162 ADJ 0.435714 0.841463
163 YLC 0.434783 0.851852
164 YLB 0.434783 0.831325
165 U A G G 0.433566 0.921053
166 ATR 0.433333 0.90411
167 7MD 0.432836 0.851852
168 G5A 0.429752 0.790698
169 PO4 PO4 A A A A PO4 0.429688 0.943662
170 TAD 0.42963 0.873418
171 5AS 0.42735 0.770115
172 BTX 0.426573 0.831325
173 YLA 0.425532 0.831325
174 DSZ 0.425197 0.790698
175 NCN 0.424779 0.805556
176 UPA 0.42446 0.921053
177 VMS 0.424 0.8
178 54H 0.424 0.8
179 N0B 0.422819 0.853659
180 6AD 0.422764 0.85
181 AYB 0.422535 0.821429
182 7D3 0.422414 0.844156
183 YLY 0.421769 0.821429
184 TSB 0.420635 0.809524
185 ODP 0.41958 0.922078
186 AV2 0.419355 0.855263
187 FB0 0.419355 0.775281
188 A5A 0.419355 0.819277
189 NNR 0.419048 0.739726
190 A A A 0.418605 0.918919
191 LEU LMS 0.418605 0.793103
192 649 0.417266 0.775281
193 NMN AMP PO4 0.416667 0.933333
194 SSA 0.416 0.790698
195 P5A 0.415385 0.755556
196 LSS 0.414062 0.772727
197 A2R 0.412698 0.918919
198 52H 0.412698 0.790698
199 JB6 0.412214 0.896104
200 5N5 0.411215 0.783784
201 YSA 0.410448 0.811765
202 5CA 0.409449 0.790698
203 53H 0.409449 0.790698
204 ITT 0.408333 0.878378
205 7D4 0.408333 0.844156
206 NA7 0.407692 0.894737
207 5CD 0.407407 0.794521
208 0WD 0.406897 0.909091
209 A3P 0.40678 0.930556
210 AVV 0.40625 0.860759
211 RAB 0.40566 0.808219
212 ADN 0.40566 0.808219
213 XYA 0.40566 0.808219
214 FDA 0.405063 0.823529
215 GSU 0.40458 0.790698
216 7MC 0.404255 0.831325
217 NSS 0.403101 0.811765
218 6FA 0.402516 0.853659
219 NVA LMS 0.4 0.793103
220 PPS 0.4 0.817073
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1S7G; Ligand: NAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1s7g.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1S7G; Ligand: NAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1s7g.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1S7G; Ligand: APR; Similar sites found: 152
This union binding pocket(no: 3) in the query (biounit: 1s7g.bio1) has 35 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2BOS GLA GAL GLC 0.02267 0.41912 None
2 2BOS GLA GAL GLC NBU 0.02294 0.4186 None
3 5DUS APR 0.006981 0.41009 None
4 4LZB URA 0.04134 0.40335 0.840336
5 1J71 THR ILE THR SER 0.007914 0.44654 1.18577
6 5X62 SAH 0.002861 0.44108 1.18577
7 2HMT NAI 0.005522 0.41449 1.38889
8 2PXX SAH 0.0147 0.40167 1.39535
9 1P1C SAH 0.001777 0.4324 1.50754
10 2FKA BEF 0.001928 0.47763 1.55039
11 5AVF TAU 0.03539 0.40618 1.58103
12 2PT9 S4M 0.002047 0.42356 1.97628
13 1XDS SAM 0.01162 0.41961 1.97628
14 2I7C AAT 0.0009573 0.4169 1.97628
15 2PT9 2MH 0.00132 0.40825 1.97628
16 1QZZ SAM 0.02021 0.40781 1.97628
17 1JQ3 AAT 0.001998 0.40527 1.97628
18 1ZEM NAD 0.004936 0.40525 1.97628
19 2Q1S NAI 0.004502 0.40304 1.97628
20 3GDH SAH 0.00942 0.40167 2.07469
21 2O07 MTA 0.0007114 0.43589 2.37154
22 5KVA SAM 0.002164 0.43206 2.37154
23 2O07 SPD 0.001191 0.42135 2.37154
24 3R51 MMA 0.03671 0.41082 2.5
25 4Z7X 3CX 0.03761 0.40091 2.52101
26 5LOG SAH 0.003657 0.42885 2.57511
27 3DXY SAM 0.004185 0.44555 2.75229
28 1KYQ NAD 0.001539 0.45365 2.7668
29 3FUU ADN 0.006617 0.41728 2.7668
30 5TE1 7A2 0.02493 0.41425 2.7668
31 4WXJ GLU 0.03003 0.41399 2.7668
32 3VC1 SAH 0.01014 0.40306 2.7668
33 5T8U LPA 0.03351 0.40026 2.7668
34 3G89 SAM 0.001926 0.45769 2.81124
35 1UAY ADN 0.001443 0.4638 2.89256
36 3C3Y SAH 0.01512 0.40113 2.95359
37 2W58 ADP 0.04181 0.40443 2.9703
38 2ZWS PLM 0.01738 0.4473 3.16206
39 5H6S HDH 0.01433 0.43552 3.16206
40 5JE8 NAD 0.002583 0.41943 3.16206
41 2PV7 NAD 0.001992 0.41824 3.16206
42 1IM8 SAI 0.007786 0.41101 3.27869
43 5E1M SAH 0.005767 0.41675 3.3195
44 1R18 SAH 0.008105 0.40728 3.52423
45 1ZQ9 SAM 0.001156 0.45527 3.55731
46 5HJM MTA 0.001739 0.44332 3.55731
47 2EG5 SAH 0.006101 0.43328 3.55731
48 1GY8 NAD 0.001486 0.41503 3.55731
49 4HXY NDP 0.002119 0.40923 3.55731
50 3GXO SAH 0.02013 0.4079 3.55731
51 1R6D NAD 0.00643 0.40467 3.55731
52 3RFV NAI 0.005279 0.40152 3.55731
53 2FR1 NDP 0.003169 0.40028 3.55731
54 4II2 ATP 0.006552 0.41431 3.61446
55 2HNK SAH 0.003536 0.42611 3.76569
56 5U83 ZN8 0.03827 0.40825 3.77358
57 1WY7 SAH 0.01301 0.40116 3.86473
58 2BZG SAH 0.009692 0.41299 3.87931
59 5X7Q GLC GLC GLC GLC 0.03519 0.44033 3.95257
60 5X7Q GLC GLC GLC 0.03841 0.4356 3.95257
61 2C31 ADP 0.002768 0.42952 3.95257
62 2C31 TZD 0.002867 0.42952 3.95257
63 4ZZE GLC GLC GLC 0.03687 0.40524 3.95257
64 5ITV NAI 0.00295 0.40384 3.95257
65 2VDV SAM 0.003551 0.44474 4.06504
66 5W3Y ACO 0.01955 0.42712 4.34783
67 3BP1 GUN 0.01981 0.41489 4.34783
68 4PTN PYR 0.02491 0.41004 4.34783
69 4AZT SAM 0.01809 0.40052 4.34783
70 1GXU 2HP 0.009404 0.41864 4.3956
71 3OFK SAH 0.007922 0.40771 4.62963
72 1FHX 4IP 0.02423 0.41905 4.65116
73 2BFR ADP 0.001948 0.43071 4.6875
74 1YQC GLV 0.004288 0.42706 4.70588
75 2Q28 ADP 0.0000241 0.52657 4.74308
76 3VYW SAM 0.003279 0.42755 4.74308
77 3ZDS HQ9 0.03808 0.40977 4.74308
78 4IF4 BEF 0.01303 0.43912 4.80769
79 1TE2 PGA 0.03467 0.4111 4.86726
80 3GU3 SAH 0.009558 0.43176 4.92958
81 5W10 CMP 0.008033 0.41673 5.12821
82 1V5F FAD 0.0004072 0.45877 5.13834
83 1X87 NAD 0.0006775 0.45013 5.13834
84 3LST SAH 0.01203 0.41886 5.13834
85 4NEC SAH 0.01398 0.41216 5.13834
86 1NJR XYL 0.004174 0.40555 5.13834
87 4NBU NAI 0.002602 0.40589 5.2
88 4JCA CIT 0.0141 0.42028 5.38922
89 3FGZ BEF 0.03382 0.40185 5.46875
90 3BGD SAH 0.01237 0.40506 5.76923
91 1A5Z NAD 0.008239 0.40697 5.92885
92 4DMG SAM 0.005162 0.441 6.32411
93 1T9D FAD 0.00008176 0.4247 6.32411
94 2XYQ SAH 0.00567 0.42367 6.32411
95 2R0D 4IP 0.03134 0.40898 6.32411
96 4NTX AMR 0.04482 0.4044 6.32411
97 2RBK VN4 0.01996 0.42834 6.71937
98 3EYA FAD 0.001411 0.40266 6.71937
99 1FQK ALF 0.04054 0.40676 6.80272
100 1SQL GUN 0.0138 0.43052 6.84932
101 3CBG SAH 0.003325 0.43804 6.89655
102 3DMH SAM 0.01335 0.40067 7.08661
103 4CQM NAP 0.002546 0.40875 7.11462
104 1LSS NAD 0.00344 0.42663 7.14286
105 3EGI ADP 0.0003101 0.52066 7.28155
106 5FA5 MTA 0.005727 0.43071 7.50988
107 3VSV XYS 0.01418 0.43054 7.50988
108 1F3L SAH 0.004266 0.41934 7.50988
109 2ZIF SAM 0.01189 0.40583 7.50988
110 1L3I SAH 0.0004885 0.4456 7.8125
111 4XBA 5GP 0.01785 0.41046 8
112 3DUW SAH 0.008646 0.41206 8.07175
113 1VHZ APR 0.03227 0.41467 8.08081
114 5BTX CMP 0.02906 0.42755 8.21918
115 3EGV SAH 0.009857 0.41596 8.3004
116 3GXA MET 0.0361 0.40572 8.3004
117 2NXE SAM 0.01404 0.40559 8.3004
118 3IR1 MET 0.03742 0.40489 8.57143
119 1P77 ATR 0.02869 0.41507 8.69565
120 5DNC ASN 0.03853 0.40422 8.69565
121 4YMH SAH 0.01381 0.40002 8.75
122 1JG3 ADN 0.001994 0.44444 8.93617
123 5DXA SFG 0.006879 0.40748 9.48617
124 5DX8 SFG 0.006902 0.40741 9.48617
125 5DX1 SFG 0.006837 0.40213 9.48617
126 5DX0 SFG 0.007379 0.40078 9.48617
127 5A3B APR 0.00000002449 0.61813 9.88142
128 1RLZ NAD 0.002036 0.40989 9.88142
129 2EJU SAH 0.01729 0.40143 9.88142
130 1YBH FAD 0.0001021 0.42481 10.2767
131 2GN2 C5P 0.01892 0.41711 10.2767
132 2YX1 SFG 0.01475 0.41452 10.6719
133 5BW4 SAM 0.005247 0.42877 11.4625
134 3ZOA ACR 0.03498 0.40645 11.4625
135 1DJL NAP 0.0002026 0.44143 12.0773
136 2DPM SAM 0.001489 0.43907 12.253
137 4DCM SAM 0.01693 0.40817 12.253
138 4KRI SAH 0.009085 0.40805 12.253
139 5LW0 AR6 0.00686 0.40475 12.987
140 1D4O NAP 0.0001399 0.46739 13.587
141 1O97 AMP 0.0009433 0.43883 13.6364
142 5WSY 7UC 0.04486 0.4007 14.4509
143 1EJ0 SAM 0.001245 0.45379 15
144 5MGZ SAH 0.01252 0.40482 16.5254
145 1NM5 NAP 0.001355 0.42933 17.2414
146 1NM5 NAD 0.001542 0.42801 17.2414
147 1PNO NAP 0.0002954 0.42637 19.4444
148 5L95 AMP 0.01182 0.40595 20
149 2OOR TXP 0.0002497 0.45383 20.1149
150 5J6Y BGC 0.04062 0.41091 26.0638
151 5J6Y GLC 0.04062 0.41091 26.0638
152 1LVL NAD 0.01244 0.40203 28.4585
Pocket No.: 4; Query (leader) PDB : 1S7G; Ligand: NAD; Similar sites found: 128
This union binding pocket(no: 4) in the query (biounit: 1s7g.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5DUS APR 0.006924 0.40781 None
2 5X62 SAH 0.002363 0.44236 1.18577
3 2HMT NAI 0.003488 0.42057 1.38889
4 1P1C SAH 0.005998 0.40755 1.50754
5 2FKA BEF 0.00107 0.4963 1.55039
6 4WS6 WBU 0.02661 0.41225 1.68067
7 1XDS SAM 0.01148 0.41751 1.97628
8 2PT9 S4M 0.00345 0.41176 1.97628
9 2Q1S NAI 0.004517 0.4075 1.97628
10 2GND MAN MMA 0.03242 0.40999 1.98413
11 2PHR MAN MAN 0.0381 0.40619 1.98413
12 2PHW MAN MAN 0.03894 0.40568 1.98413
13 2PHF MAN MAN 0.04199 0.4039 1.98413
14 2V57 PRL 0.04865 0.40345 2.10526
15 5KVA SAM 0.002649 0.42569 2.37154
16 3ITJ CIT 0.01934 0.41547 2.37154
17 5MPT SAH 0.00911 0.41183 2.37154
18 1U1J MET 0.04066 0.41072 2.37154
19 2O07 MTA 0.003447 0.40629 2.37154
20 5LOG SAH 0.00472 0.42138 2.57511
21 3DXY SAM 0.002822 0.45152 2.75229
22 1UY4 XYP XYP XYP XYP 0.03399 0.40861 2.75862
23 1KYQ NAD 0.0006922 0.46706 2.7668
24 3FUU ADN 0.006478 0.41526 2.7668
25 3PLN U5P 0.04046 0.40477 2.7668
26 4ZGR NGA GAL 0.04432 0.40243 2.7668
27 4BWL MN9 0.04497 0.40212 2.7668
28 3VC1 SAH 0.009847 0.40124 2.7668
29 3G89 SAM 0.00216 0.45266 2.81124
30 1UAY ADN 0.001126 0.46633 2.89256
31 2UYQ SAM 0.04486 0.4037 2.90323
32 4K7O EKZ 0.04178 0.41146 2.97619
33 5H6S HDH 0.01237 0.43758 3.16206
34 2ZWS PLM 0.01286 0.43216 3.16206
35 2PV7 NAD 0.001468 0.4208 3.16206
36 4N49 SAM 0.006146 0.41309 3.16206
37 5JE8 NAD 0.003713 0.41046 3.16206
38 5CK5 GDP 0.03832 0.40217 3.16206
39 5E1M SAH 0.009272 0.40527 3.3195
40 1R18 SAH 0.007262 0.40692 3.52423
41 1ZQ9 SAM 0.002883 0.43455 3.55731
42 2EG5 SAH 0.005591 0.43266 3.55731
43 5HJM MTA 0.008798 0.40933 3.55731
44 4II2 ATP 0.0054 0.41554 3.61446
45 2HNK SAH 0.003229 0.42529 3.76569
46 1WY7 SAH 0.01029 0.40041 3.86473
47 2BZG SAH 0.005857 0.42056 3.87931
48 2C31 ADP 0.00111 0.45077 3.95257
49 2C31 TZD 0.001151 0.45077 3.95257
50 5X7Q GLC GLC GLC 0.04554 0.42259 3.95257
51 5HCT 61P 0.01895 0.41047 3.95257
52 3IP8 B85 0.0154 0.41883 4.03226
53 2VDV SAM 0.007743 0.42581 4.06504
54 5W3Y ACO 0.01831 0.42272 4.34783
55 4AZT SAM 0.007876 0.41471 4.34783
56 4AZW SAM 0.01018 0.40649 4.34783
57 1GXU 2HP 0.006999 0.43257 4.3956
58 3OFK SAH 0.01024 0.41281 4.62963
59 2Q28 ADP 0.00001024 0.53979 4.74308
60 3VYW SAM 0.002043 0.43397 4.74308
61 2AWN ADP 0.03739 0.40495 4.74308
62 3QPB URA 0.03911 0.40381 4.74308
63 4IF4 BEF 0.005364 0.45729 4.80769
64 1TE2 PGA 0.03585 0.40713 4.86726
65 3GU3 SAH 0.006766 0.437 4.92958
66 1V5F FAD 0.0001979 0.47736 5.13834
67 1X87 NAD 0.0004183 0.45613 5.13834
68 1NJR XYL 0.002952 0.40893 5.13834
69 3LST SAH 0.02116 0.40457 5.13834
70 5G61 FNY 0.01564 0.40424 5.13834
71 4NEC SAH 0.02384 0.40203 5.13834
72 1RGE 2GP 0.0159 0.42715 5.20833
73 3FGZ BEF 0.009422 0.45041 5.46875
74 3I9U DTU 0.02186 0.41349 5.5336
75 1L1E SAH 0.01398 0.40336 5.5336
76 3BGD SAH 0.008332 0.41038 5.76923
77 1V6A TRE 0.02889 0.41404 5.92885
78 2WPF WPF 0.02195 0.40719 5.92885
79 2WPF FAD 0.02307 0.40499 5.92885
80 5F8F SFG 0.01771 0.40494 5.92885
81 5IL1 SAM 0.01483 0.40218 6.13208
82 4DMG SAM 0.005066 0.43893 6.32411
83 1T9D FAD 0.00003909 0.42685 6.32411
84 2XYQ SAH 0.01345 0.40412 6.32411
85 3EYA FAD 0.0004903 0.41224 6.71937
86 3KRO PPV 0.02386 0.40202 6.71937
87 2PZM NAD 0.006689 0.40082 6.71937
88 2PZM UDP 0.006689 0.40082 6.71937
89 1FQK ALF 0.03378 0.40967 6.80272
90 1SQL GUN 0.02625 0.41521 6.84932
91 3CBG SAH 0.006213 0.42289 6.89655
92 1QD0 RR6 0.01932 0.41004 7.03125
93 5TVF PUT 0.008094 0.44839 7.05882
94 1VPD TLA 0.02729 0.4148 7.11462
95 1LSS NAD 0.003685 0.42279 7.14286
96 3EGI ADP 0.0002878 0.51947 7.28155
97 5FA5 MTA 0.01438 0.40926 7.50988
98 1L3I SAH 0.0007659 0.43499 7.8125
99 3DUW SAH 0.01358 0.40091 8.07175
100 3EGV SAH 0.0042 0.43078 8.3004
101 2NXE SAM 0.006323 0.41905 8.3004
102 4RDI ATP 0.009988 0.41001 8.33333
103 1P77 ATR 0.01385 0.42985 8.69565
104 1JG3 ADN 0.002901 0.43443 8.93617
105 5A3B APR 0.00000001912 0.61807 9.88142
106 1YBH FAD 0.00008539 0.42029 10.2767
107 1V59 FAD 0.004997 0.4076 10.2767
108 2GN2 C5P 0.03258 0.40732 10.2767
109 2YX1 SFG 0.01055 0.41929 10.6719
110 5BW4 SAM 0.003924 0.43215 11.4625
111 1L5Y BEF 0.01034 0.41099 11.6129
112 1DJL NAP 0.0001772 0.43693 12.0773
113 2DPM SAM 0.003103 0.42275 12.253
114 4KRI SAH 0.004338 0.41969 12.253
115 1NU4 MLA 0.004415 0.4854 12.3711
116 5LW0 AR6 0.004509 0.40984 12.987
117 1D4O NAP 0.0001322 0.46535 13.587
118 1O97 AMP 0.00007307 0.48893 13.6364
119 1EJ0 SAM 0.001219 0.45151 15
120 5W3X ACO 0.008281 0.44433 15
121 3DGY 2GP 0.03746 0.40707 15.4639
122 5MGZ SAH 0.009129 0.40861 16.5254
123 4YMU ATP 0.01859 0.41868 16.8182
124 1NM5 NAP 0.0006007 0.44855 17.2414
125 1NM5 NAD 0.0006348 0.44849 17.2414
126 1PNO NAP 0.0003045 0.43466 19.4444
127 5L95 AMP 0.009795 0.40724 20
128 2OOR TXP 0.0003218 0.44659 20.1149
Feedback