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Receptor
PDB id Resolution Class Description Source Keywords
1SZD 1.5 Å EC: 3.5.1.- STRUCTURAL BASIS FOR NICOTINAMIDE CLEAVAGE AND ADP-RIBOSE TR NAD+-DEPENDENT SIR2 HISTONE/PROTEIN DEACETYLASES SACCHAROMYCES CEREVISIAE HST2 SIR2 SIRTUIN HISTONE DEACETYLASE PROTEIN DEACETYLASREGULATION
Ref.: STRUCTURAL BASIS FOR NICOTINAMIDE CLEAVAGE AND ADP-TRANSFER BY NAD(+)-DEPENDENT SIR2 HISTONE/PROTEIN DEACETYLASES. PROC.NATL.ACAD.SCI.USA V. 101 8563 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
APR A:1001;
Valid;
none;
Kd = 29.16 uM
559.316 C15 H23 N5 O14 P2 c1nc(...
CL A:401;
Invalid;
none;
submit data
35.453 Cl [Cl-]
GOL A:1989;
A:1990;
A:1991;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
LYS GLY GLY ALA ALY ARG HIS ARG LYS ILE B:12;
Valid;
none;
submit data
939.138 n/a O=C(N...
ZN A:701;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1SZD 1.5 Å EC: 3.5.1.- STRUCTURAL BASIS FOR NICOTINAMIDE CLEAVAGE AND ADP-RIBOSE TR NAD+-DEPENDENT SIR2 HISTONE/PROTEIN DEACETYLASES SACCHAROMYCES CEREVISIAE HST2 SIR2 SIRTUIN HISTONE DEACETYLASE PROTEIN DEACETYLASREGULATION
Ref.: STRUCTURAL BASIS FOR NICOTINAMIDE CLEAVAGE AND ADP-TRANSFER BY NAD(+)-DEPENDENT SIR2 HISTONE/PROTEIN DEACETYLASES. PROC.NATL.ACAD.SCI.USA V. 101 8563 2004
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 31 families.
1 1SZD Kd = 29.16 uM APR C15 H23 N5 O14 P2 c1nc(c2c(n....
2 1Q1A - OAD C17 H25 N5 O15 P2 CC(=O)O[C@....
3 1SZC - CNA C22 H30 N7 O13 P2 c1cc(c[n+]....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 28 families.
1 1SZD Kd = 29.16 uM APR C15 H23 N5 O14 P2 c1nc(c2c(n....
2 1Q1A - OAD C17 H25 N5 O15 P2 CC(=O)O[C@....
3 1SZC - CNA C22 H30 N7 O13 P2 c1cc(c[n+]....
50% Homology Family (40)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 1SZD Kd = 29.16 uM APR C15 H23 N5 O14 P2 c1nc(c2c(n....
2 1Q1A - OAD C17 H25 N5 O15 P2 CC(=O)O[C@....
3 1SZC - CNA C22 H30 N7 O13 P2 c1cc(c[n+]....
4 4RMG ic50 = 0.14 uM 3TE C22 H20 N4 O S2 Cc1cc(nc(n....
5 4R8M - PRO LYS LYS THR GLY 3LX n/a n/a
6 4RMH - 3TE C22 H20 N4 O S2 Cc1cc(nc(n....
7 5DY4 ic50 = 0.21 uM 5GN C22 H19 Br N4 O S2 Cc1cc(nc(n....
8 4Y6L - THR ALA ARG MYK SER THR GLY n/a n/a
9 5MAR ic50 = 41.2 uM 7KE C11 H11 Cl N2 O2 c1cc(ccc1c....
10 3ZGV - AR6 C15 H23 N5 O14 P2 c1nc(c2c(n....
11 4Y6O - LEU PRO LYS MYK THR GLY GLY n/a n/a
12 4RMJ - NCA C6 H6 N2 O c1cc(cnc1)....
13 5DY5 ic50 = 0.118 uM 5GR C28 H27 N7 O2 S2 Cc1cc(nc(n....
14 5D7P ic50 = 20 uM OCZ C13 H13 Cl N2 O c1cc2c(cc1....
15 4RMI - 3TK C18 H18 N4 O S2 Cc1cc(nc(n....
16 5Y0Z ic50 = 0.46 uM 8K9 C30 H44 N2 O3 CCC(C)(C)c....
17 5YQN ic50 = 93.7 uM L55 C26 H26 N6 O3 S Cc1cc(nc(n....
18 5MAT ic50 = 0.58 uM 7KJ C28 H28 N4 O3 S Cc1c(c(on1....
19 4Y6Q - OMR C29 H49 N5 O15 P2 CCCCCCCCCC....
20 5D7Q ic50 = 2.8 uM 4I5 C14 H15 Cl N2 O c1cc2c(cc1....
21 5YQM - A2X C20 H19 N3 O S2 Cc1cc(nc(n....
22 5G4C Kd = 13.7 uM ARG ALA ALA 6G4 THR n/a n/a
23 5YQL ic50 = 25.9 uM A2I C21 H21 N3 O2 S Cc1cc(nc(n....
24 5YQO ic50 = 0.815 uM L5C C26 H26 N6 O3 S Cc1cc(nc(n....
25 5D7O - AR6 C15 H23 N5 O14 P2 c1nc(c2c(n....
26 4FZ3 - ACE ARG HIS LYS ALY MCM n/a n/a
27 4JT9 ic50 = 0.0072 uM 1NS C15 H21 N5 O3 S2 CS(=O)(=O)....
28 5BWO - PLM GLN THR ALA ARG LYS SER THR GLY GLY TRP n/a n/a
29 4JT8 ic50 = 0.033 uM 1NR C19 H27 N5 O2 S CC(C)(C)C(....
30 4BV3 Kd = 16.5 uM OCZ C13 H13 Cl N2 O c1cc2c(cc1....
31 4BVH - OAD C17 H25 N5 O15 P2 CC(=O)O[C@....
32 4C7B - ARG HIS LYS FDL n/a n/a
33 4C78 - BVB C14 H11 Br O2 c1cc(ccc1/....
34 5BWN - GLN THR ALA ARG MYK SER THR GLY GLY TRP n/a n/a
35 4BN4 - AR6 C15 H23 N5 O14 P2 c1nc(c2c(n....
36 4JSR ic50 = 0.004 uM 1NQ C22 H26 N6 O3 S2 CCNC(=O)c1....
37 4BVE - THR ARG SER GLY FZN VAL MET ARG ARG LEU n/a n/a
38 4BVB - AR6 C15 H23 N5 O14 P2 c1nc(c2c(n....
39 4FVT - CNA C22 H30 N7 O13 P2 c1cc(c[n+]....
40 4I5I - 4I5 C14 H15 Cl N2 O c1cc2c(cc1....
Polypharmacology
Similar Ligands
Ligand no: 1; 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
Ligand no: 2; Ligand: LYS GLY GLY ALA ALY ARG HIS ARG LYS ILE; Similar ligands found: 45
No: Ligand ECFP6 Tc MDL keys Tc
1 LYS GLY GLY ALA ALY ARG HIS ARG LYS ILE 1 1
2 LYS GLY GLY ALA ALY ARG HIS ARG 0.821138 0.965517
3 LYS GLY GLY ALA ALY ARG HIS ARG LYS VAL 0.756303 0.982143
4 ALA LYS ARG HIS ARG MLY VAL LEU ARG ASP 0.576389 0.857143
5 ARG HIS LYS ALY LEU MET PHE LYS 0.54 0.84127
6 ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP 0.539007 0.87931
7 ALA LYS ARG HIS ARG MLZ VAL LEU ARG ASP 0.531034 0.9
8 ILE LEU ALA LYS PHE LEU HIS ARG LEU 0.506579 0.836066
9 ARG HIS LYS FDL 0.490066 0.716216
10 LYS ILE LEU HIS ARG LEU LEU GLN ASP SER 0.4875 0.8
11 HIS HIS ALA SER PRO ARG LYS 0.487179 0.75
12 THR SER ARG HIS LYS ALY LEU MET ALA 0.483871 0.782609
13 SER THR GLY GLY VAL M3L LYS PRO HIS ARG 0.483146 0.746667
14 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 0.477987 0.83871
15 ALA ILE LEU HIS ARG LEU LEU GLN 0.472603 0.864407
16 ACE ARG HIS LYS ALY MCM 0.470968 0.706667
17 ILE LEU GLY LYS PHE LEU HIS ARG LEU 0.470968 0.84127
18 LYS ARG ARG ARG HIS PRO SER 0.466667 0.772727
19 LYS ARG LYS ARG LYS ARG LYS ARG LYS ARG 0.46281 0.732143
20 ALA HIS ALA LYS ALA 0.457364 0.821429
21 ACE ARG HIS ALY ALY MCM 0.456376 0.716216
22 ALA LYS PHE ARG HIS ASP 0.455172 0.836066
23 HIS LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.455128 0.866667
24 LYS ARG ARG ARG HIS PRO SER GLY 0.454545 0.764706
25 ARG ARG LYS TRP ARG ARG TRP HIS LEU 0.454545 0.8125
26 ARG ARG LYS TRP CIR ARG TRP HIS LEU 0.452229 0.8
27 GLY ALA ARG ALA HIS SER SER 0.45 0.84127
28 GLU ALY ARG 0.448819 0.758621
29 GLY LEU GLY ALY GLY GLY ALA ALY ALA 0.441176 0.689655
30 ASP ALA GLU PHE ARG HIS ASP SER 0.440789 0.819672
31 GLU GLU GLU ASP GLY TPO MET LYS ARG ASN 0.44 0.638889
32 ARG GLY PHE ALA LEU M3L SER THR HIS GLY 0.436047 0.756757
33 LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.430464 0.79661
34 ACE ALA ARG THR LYS GLN 0.424242 0.677419
35 GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 0.423077 0.854839
36 ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG 0.420168 0.714286
37 ARG ARG ARG ARG ARG ARG ARG ARG 0.420168 0.714286
38 ILE LYS ARG SER LYS LYS ASN SER LEU ALA 0.417323 0.66129
39 ALA ARG LYS SEP THR GLY GLY LYS 0.417219 0.642857
40 GLU VAL ALA PRO PRO GLU TYR HIS ARG LYS 0.417112 0.774648
41 PRO PRO LYS LYS LYS ARG LYS VAL 0.412698 0.736842
42 ARG ARG ARG TRP HIS ARG TRP ARG LEU 0.411765 0.796875
43 ALA ARG M3L SER CYS GLY GLY LYS 08P 0.409938 0.61039
44 LYS ALA ALA ARG M3L SER ALA 0.408451 0.633803
45 ALA ARG THR LYS GLN THR ALA ARG LYS 0.402778 0.709677
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1SZD; Ligand: APR; Similar sites found with APoc: 183
This union binding pocket(no: 1) in the query (biounit: 1szd.bio1) has 36 residues
No: Leader PDB Ligand Sequence Similarity
1 2BOS GLA GAL GLC NBU None
2 1L1E SAH 1.39373
3 2HK9 ATR 1.45455
4 3RKR NAP 1.52672
5 4WBD CIT 1.6835
6 6DEN FAD 1.6835
7 6DEN G8A 1.6835
8 6DEN TP9 1.6835
9 4M1U A2G MBG 1.6835
10 4Y9D NAI 1.6835
11 6ECU SAH 1.6835
12 6FDF SAH 1.6835
13 2AOT SAH 1.71233
14 3GCZ SAM 1.77305
15 3DUV KDO 1.9084
16 5XH2 NPO 1.9084
17 4A59 AMP 2.0202
18 3OA2 NAD 2.0202
19 5OJL TXP 2.0202
20 3G6N MET ALA SER 2.09424
21 3DXY SAM 2.29358
22 1E6W NAD 2.30769
23 2VT3 ATP 2.32558
24 4NBW NAD 2.33463
25 4OBW SAM 2.33463
26 5JE8 NAD 2.3569
27 3GWZ SAH 2.3569
28 1HDG NAD 2.3569
29 1UAY ADN 2.47934
30 2HNK SAH 2.51046
31 3KCC CMP 2.69231
32 1V59 NAD 2.6936
33 1PJS NAD 2.6936
34 2FK8 SAM 2.6936
35 1X87 NAD 2.6936
36 4KOA NDP 2.6936
37 5CK5 GDP 2.6936
38 3LGG CFE 2.6936
39 1CER NAD 2.6936
40 3BRE C2E 2.6936
41 6CB2 OLC 2.73038
42 3ABI NAD 2.73973
43 5LQ8 GB 2.83688
44 2FMD MAN MAN 2.91667
45 3B20 NAD 2.94985
46 1T9D PYD 3.0303
47 1T9D 1MM 3.0303
48 1T9D P25 3.0303
49 4YAC NAI 3.0303
50 2C31 ADP 3.0303
51 2C31 TZD 3.0303
52 5WKC FAD 3.0303
53 5WXU FLC 3.0303
54 3EF0 ALF 3.0303
55 1T9D FAD 3.0303
56 3PT9 SAH 3.0303
57 2Q28 ADP 3.0303
58 2ZUX RAM 3.0303
59 2V3V MGD 3.0303
60 5W7R SAH 3.0303
61 2XYQ SAH 3.27869
62 4IF4 BEF 3.36538
63 5A3B APR 3.367
64 5VLQ ANP 3.367
65 5XNC MTA 3.367
66 4KIB SAH 3.367
67 2JHP SAH 3.367
68 4G05 JZ3 3.367
69 4M73 SAH 3.367
70 4M73 M72 3.367
71 3B12 FAH 3.367
72 4FE2 AIR 3.52941
73 3DKP ADP 3.67347
74 1V6A TRE 3.7037
75 2IZ1 ATR 3.7037
76 2EG5 SAH 3.7037
77 4N49 SAM 3.7037
78 3MCT SAH 3.7037
79 2NXE SAM 3.93701
80 4Z1D PEP 3.98551
81 1TW4 CHD 4
82 1BW9 NAD 4.0404
83 4XZ3 ACP 4.0404
84 1OBB NAD 4.0404
85 1GZ6 NAI 4.0404
86 3T7S SAM 4.10448
87 4L2I FAD 4.18251
88 1JG3 ADN 4.25532
89 2BHZ MAL 4.3771
90 4BE9 7P9 4.3771
91 2H8Z 8CM 4.3771
92 2IXB NAD 4.3771
93 2FKA BEF 4.65116
94 2JK0 ASP 4.7138
95 1P77 ATR 4.77941
96 3EGI ADP 4.85437
97 3LST SAH 4.88506
98 5KXE 6Y2 4.93827
99 3B9Q MLI 5.05051
100 4D5G TPP 5.05051
101 4D5G FAD 5.05051
102 2OG2 MLI 5.05051
103 5WP5 SAH 5.05051
104 1GPM CIT 5.05051
105 1N2X SAM 5.05051
106 3I9U DTU 5.32319
107 4KGD FAD 5.38721
108 4KGD TDP 5.38721
109 1YBH FAD 5.38721
110 5LD5 NAD 5.38721
111 4POO SAM 5.5
112 5LW0 AR6 5.72391
113 3VC1 SAH 5.72391
114 2P41 SAH 5.72391
115 1DJL NAP 5.7971
116 3LCC SAH 5.95745
117 5OCQ CIT 5.96491
118 2VDV SAM 6.09756
119 3I53 SAH 6.39731
120 1XDS SAM 6.39731
121 1G55 SAH 6.39731
122 1D4O NAP 6.52174
123 1L7N ALF 6.63507
124 3VSE SAH 6.73401
125 5DNK SAH 6.73401
126 1QZZ SAM 6.73401
127 5YJS SAL 6.73401
128 1KYQ NAD 6.93431
129 1IAU ACE ILE GLU PRO ASJ 7.04846
130 3P4X ADP 7.07071
131 1LSS NAD 7.14286
132 3O03 NAP 7.2165
133 5ZI9 FLC 7.30769
134 3EYA FAD 7.40741
135 1W8D NAP 7.40741
136 2EWM NAD 7.63052
137 3L9W AMP 7.74411
138 1W6U NAP 7.74411
139 1ZEM NAD 8.01527
140 6F5Z SAH 8.19672
141 1NU4 MLA 8.24742
142 2Z3U CRR 8.41751
143 3WCS MAN NAG 8.66142
144 3WCS MAN NAG GAL 8.66142
145 3GEG NAD 8.90688
146 6CZ7 MGD 8.97436
147 4UP5 94W 9.09091
148 2AK5 ARG PRO PRO LYS PRO ARG PRO ARG 9.375
149 4YDD MD1 9.42761
150 4YDD MGD 9.42761
151 4OKE AMP 9.52381
152 3QPB R1P 9.92908
153 6D6Y SAH 10.101
154 1W2D ADP 10.1887
155 1H5R G1P 10.2389
156 1EJ0 SAM 10.5556
157 1O97 FAD 10.6061
158 1O97 AMP 10.6061
159 5WHU SIA 10.7383
160 5BW4 SAM 10.8614
161 1LOB MMA 11.5385
162 4KRI SAH 12.1212
163 3QV1 NAD 12.1951
164 1V5F FAD 13.1313
165 1V5F TPP 13.1313
166 1T32 OHH 13.3929
167 1EFV FAD 13.8047
168 1EFV AMP 13.8047
169 1RJW ETF 14.1414
170 1LES GLC FRU 14.3646
171 1SQL GUN 14.3836
172 1OFS SUC 14.4385
173 2PK4 ACA 15
174 1NBU PH2 15.126
175 5N53 8NB 16.4103
176 2BQP GLC 16.6667
177 1PNO NAP 17.7778
178 2OOR TXP 18.3908
179 5Z84 CHD 28.7671
180 5ZCO CHD 28.7671
181 5W97 CHD 28.7671
182 3U31 NAD 29.6552
183 1M2K APR 38.1526
Pocket No.: 2; Query (leader) PDB : 1SZD; Ligand: APR; Similar sites found with APoc: 4
This union binding pocket(no: 2) in the query (biounit: 1szd.bio2) has 36 residues
No: Leader PDB Ligand Sequence Similarity
1 2BOS GLA GAL GLC None
2 3OBT SLB 3.367
3 2XYA 7L4 3.84615
4 1FQK ALF 12.9252
Pocket No.: 3; Query (leader) PDB : 1SZD; Ligand: APR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1szd.bio2) has 36 residues
No: Leader PDB Ligand Sequence Similarity
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