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Receptor
PDB id Resolution Class Description Source Keywords
4Y6Q 1.9 Å EC: 3.5.1.- HUMAN SIRT2 IN COMPLEX WITH 2-O-MYRISTOYL-ADP-RIBOSE HOMO SAPIENS SIRTUIN SIRT NAD-DEPENDENT DEACETYLASE 2-O-MYRISTOYL-ADP-ACYL-ADP-RIBOSE COMPLEX DEACYLASE INTERMEDIATE HYDROLAS
Ref.: KINETIC AND STRUCTURAL BASIS FOR ACYL-GROUP SELECTI NAD(+) DEPENDENCE IN SIRTUIN-CATALYZED DEACYLATION. BIOCHEMISTRY V. 54 3037 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN A:501;
D:501;
C:501;
B:501;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
HIS ALA SER ILE ASP ALA GLN B:349;
A:349;
Invalid;
Invalid;
none;
none;
submit data n/a n/a n/a n/a
OMR C:502;
D:502;
B:502;
A:502;
Valid;
Valid;
Valid;
Valid;
none;
Atoms found LESS than expected: % Diff = 0;
none;
none;
submit data
769.671 C29 H49 N5 O15 P2 CCCCC...
HIS ALA SER ILE ASP ALA D:349;
C:349;
Invalid;
Invalid;
none;
none;
submit data n/a n/a n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5DY5 1.95 Å EC: 3.5.1.- CRYSTAL STRUCTURE OF HUMAN SIRT2 IN COMPLEX WITH A SIRREAL P FRAGMENT HOMO SAPIENS HYDROLASE HYDROLASE INHIBITOR COMPLEX
Ref.: STRUCTURE-BASED DEVELOPMENT OF AN AFFINITY PROBE FO 2. ANGEW.CHEM.INT.ED.ENGL. V. 55 2252 2016
Members (22)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 31 families.
1 4RMG ic50 = 0.14 uM 3TE C22 H20 N4 O S2 Cc1cc(nc(n....
2 4R8M - PRO LYS LYS THR GLY 3LX n/a n/a
3 4RMH - 3TE C22 H20 N4 O S2 Cc1cc(nc(n....
4 5DY4 ic50 = 0.21 uM 5GN C22 H19 Br N4 O S2 Cc1cc(nc(n....
5 4Y6L - THR ALA ARG MYK SER THR GLY n/a n/a
6 5MAR ic50 = 41.2 uM 7KE C11 H11 Cl N2 O2 c1cc(ccc1c....
7 3ZGV - AR6 C15 H23 N5 O14 P2 c1nc(c2c(n....
8 4Y6O - LEU PRO LYS MYK THR GLY GLY n/a n/a
9 4RMJ - NCA C6 H6 N2 O c1cc(cnc1)....
10 5DY5 ic50 = 0.118 uM 5GR C28 H27 N7 O2 S2 Cc1cc(nc(n....
11 5D7P ic50 = 20 uM OCZ C13 H13 Cl N2 O c1cc2c(cc1....
12 4RMI - 3TK C18 H18 N4 O S2 Cc1cc(nc(n....
13 5Y0Z ic50 = 0.46 uM 8K9 C30 H44 N2 O3 CCC(C)(C)c....
14 5YQN ic50 = 93.7 uM L55 C26 H26 N6 O3 S Cc1cc(nc(n....
15 5MAT ic50 = 0.58 uM 7KJ C28 H28 N4 O3 S Cc1c(c(on1....
16 4Y6Q - OMR C29 H49 N5 O15 P2 CCCCCCCCCC....
17 5D7Q ic50 = 2.8 uM 4I5 C14 H15 Cl N2 O c1cc2c(cc1....
18 5YQM - A2X C20 H19 N3 O S2 Cc1cc(nc(n....
19 5G4C Kd = 13.7 uM ARG ALA ALA 6G4 THR n/a n/a
20 5YQL ic50 = 25.9 uM A2I C21 H21 N3 O2 S Cc1cc(nc(n....
21 5YQO ic50 = 0.815 uM L5C C26 H26 N6 O3 S Cc1cc(nc(n....
22 5D7O - AR6 C15 H23 N5 O14 P2 c1nc(c2c(n....
70% Homology Family (22)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 28 families.
1 4RMG ic50 = 0.14 uM 3TE C22 H20 N4 O S2 Cc1cc(nc(n....
2 4R8M - PRO LYS LYS THR GLY 3LX n/a n/a
3 4RMH - 3TE C22 H20 N4 O S2 Cc1cc(nc(n....
4 5DY4 ic50 = 0.21 uM 5GN C22 H19 Br N4 O S2 Cc1cc(nc(n....
5 4Y6L - THR ALA ARG MYK SER THR GLY n/a n/a
6 5MAR ic50 = 41.2 uM 7KE C11 H11 Cl N2 O2 c1cc(ccc1c....
7 3ZGV - AR6 C15 H23 N5 O14 P2 c1nc(c2c(n....
8 4Y6O - LEU PRO LYS MYK THR GLY GLY n/a n/a
9 4RMJ - NCA C6 H6 N2 O c1cc(cnc1)....
10 5DY5 ic50 = 0.118 uM 5GR C28 H27 N7 O2 S2 Cc1cc(nc(n....
11 5D7P ic50 = 20 uM OCZ C13 H13 Cl N2 O c1cc2c(cc1....
12 4RMI - 3TK C18 H18 N4 O S2 Cc1cc(nc(n....
13 5Y0Z ic50 = 0.46 uM 8K9 C30 H44 N2 O3 CCC(C)(C)c....
14 5YQN ic50 = 93.7 uM L55 C26 H26 N6 O3 S Cc1cc(nc(n....
15 5MAT ic50 = 0.58 uM 7KJ C28 H28 N4 O3 S Cc1c(c(on1....
16 4Y6Q - OMR C29 H49 N5 O15 P2 CCCCCCCCCC....
17 5D7Q ic50 = 2.8 uM 4I5 C14 H15 Cl N2 O c1cc2c(cc1....
18 5YQM - A2X C20 H19 N3 O S2 Cc1cc(nc(n....
19 5G4C Kd = 13.7 uM ARG ALA ALA 6G4 THR n/a n/a
20 5YQL ic50 = 25.9 uM A2I C21 H21 N3 O2 S Cc1cc(nc(n....
21 5YQO ic50 = 0.815 uM L5C C26 H26 N6 O3 S Cc1cc(nc(n....
22 5D7O - AR6 C15 H23 N5 O14 P2 c1nc(c2c(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: OMR; Similar ligands found: 302
No: Ligand ECFP6 Tc MDL keys Tc
1 OMR 1 1
2 OAD 0.76 0.9
3 9X8 0.742574 0.855422
4 1ZZ 0.728155 0.9875
5 MYR AMP 0.657407 0.962963
6 A2D 0.652632 0.851852
7 5SV 0.647619 0.95
8 AR6 0.64 0.875
9 APR 0.64 0.875
10 WAQ 0.638889 0.91358
11 3OD 0.633027 0.9
12 BA3 0.622449 0.851852
13 SAP 0.617647 0.811765
14 AGS 0.617647 0.811765
15 B4P 0.616162 0.851852
16 AP5 0.616162 0.851852
17 AN2 0.61 0.841463
18 A22 0.607477 0.841463
19 M33 0.60396 0.864198
20 ADP 0.6 0.851852
21 ATP 0.598039 0.851852
22 HEJ 0.598039 0.851852
23 AT4 0.594059 0.821429
24 AQP 0.592233 0.851852
25 PRX 0.592233 0.9
26 5FA 0.592233 0.851852
27 CA0 0.588235 0.876543
28 AD9 0.586538 0.831325
29 ACP 0.582524 0.831325
30 ANP 0.575472 0.831325
31 BIS 0.575221 0.845238
32 5AL 0.570093 0.8875
33 A3R 0.567568 0.845238
34 ATF 0.564815 0.821429
35 ACQ 0.560748 0.831325
36 ADX 0.557692 0.775281
37 25L 0.556522 0.841463
38 AMP 0.555556 0.82716
39 A 0.555556 0.82716
40 F2R 0.555556 0.829545
41 ABM 0.554455 0.851852
42 4AD 0.553571 0.855422
43 A1R 0.553571 0.845238
44 ADQ 0.553571 0.853659
45 50T 0.552381 0.819277
46 SRA 0.55 0.788235
47 00A 0.548673 0.823529
48 TXA 0.547826 0.888889
49 6YZ 0.545455 0.831325
50 SRP 0.545455 0.843373
51 LAQ 0.545455 0.870588
52 8QN 0.544643 0.8875
53 OOB 0.544643 0.864198
54 25A 0.544643 0.829268
55 PAJ 0.539823 0.869048
56 PR8 0.53913 0.880952
57 DQV 0.53719 0.864198
58 NAI 0.536585 0.823529
59 DLL 0.535088 0.864198
60 PTJ 0.534483 0.857143
61 SON 0.533333 0.865854
62 A12 0.528846 0.843373
63 AP2 0.528846 0.843373
64 48N 0.528455 0.879518
65 YLB 0.528 0.916667
66 RBY 0.527778 0.865854
67 ADV 0.527778 0.865854
68 A2R 0.526786 0.864198
69 AMO 0.526316 0.865854
70 LAD 0.525862 0.869048
71 GTA 0.52459 0.806818
72 DND 0.524194 0.865854
73 NXX 0.524194 0.865854
74 CNA 0.523438 0.843373
75 BT5 0.523077 0.840909
76 AHX 0.521739 0.813953
77 ME8 0.521368 0.870588
78 B5M 0.521008 0.855422
79 B5Y 0.521008 0.855422
80 TXE 0.52 0.845238
81 APC 0.518519 0.843373
82 T99 0.518182 0.821429
83 TAT 0.518182 0.821429
84 GAP 0.518182 0.831325
85 9ZA 0.517544 0.845238
86 9ZD 0.517544 0.845238
87 3UK 0.517241 0.853659
88 COD 0.515385 0.863636
89 AU1 0.514019 0.831325
90 B5V 0.512821 0.843373
91 4UV 0.512397 0.833333
92 TXD 0.512 0.845238
93 NAX 0.512 0.816092
94 6V0 0.512 0.813953
95 DAL AMP 0.508772 0.864198
96 NB8 0.508475 0.835294
97 YAP 0.508333 0.833333
98 G3A 0.508197 0.813953
99 XAH 0.504132 0.827586
100 4UU 0.504065 0.833333
101 G5P 0.504065 0.813953
102 YLP 0.504 0.916667
103 AP0 0.503937 0.835294
104 T5A 0.503876 0.829545
105 ADP PO3 0.5 0.82716
106 4UW 0.5 0.847059
107 9SN 0.5 0.813953
108 UP5 0.5 0.833333
109 80F 0.496241 0.788889
110 IOT 0.496124 0.840909
111 FA5 0.495868 0.843373
112 FYA 0.495798 0.819277
113 MAP 0.495652 0.811765
114 ADP ALF 0.495575 0.770115
115 ALF ADP 0.495575 0.770115
116 UPA 0.492188 0.823529
117 LPA AMP 0.492063 0.848837
118 AFH 0.491935 0.804598
119 AYB 0.48855 0.905882
120 A4P 0.488372 0.752688
121 ATR 0.486486 0.82716
122 5AS 0.481481 0.752688
123 NAD 0.481203 0.841463
124 BTX 0.481203 0.829545
125 139 0.480916 0.837209
126 LMS 0.480769 0.736264
127 YLC 0.48062 0.870588
128 4TC 0.48062 0.813953
129 ARG AMP 0.48 0.797753
130 NA7 0.478992 0.865854
131 VO4 ADP 0.478261 0.819277
132 NAQ 0.478261 0.857143
133 ADP VO4 0.478261 0.819277
134 TYR AMP 0.475806 0.811765
135 A3D 0.474074 0.853659
136 AOC 0.471698 0.722892
137 NVA LMS 0.470588 0.765957
138 ADJ 0.469697 0.83908
139 7MC 0.469231 0.894118
140 FB0 0.468966 0.876405
141 GA7 0.468254 0.843373
142 7MD 0.468254 0.870588
143 EAD 0.468085 0.837209
144 K15 0.466667 0.821429
145 ADP BMA 0.466667 0.831325
146 NZQ 0.466165 0.804598
147 P1H 0.465278 0.860465
148 TAD 0.464567 0.825581
149 YLY 0.463768 0.928571
150 ODP 0.462687 0.804598
151 TYM 0.461538 0.843373
152 AHZ 0.460938 0.848837
153 PAP 0.460177 0.839506
154 ITT 0.459459 0.804878
155 JB6 0.459016 0.823529
156 NDP 0.458647 0.813953
157 YLA 0.458647 0.850575
158 ARU 0.458333 0.804598
159 TSB 0.457627 0.769231
160 A5A 0.456897 0.758242
161 AR6 AR6 0.456693 0.829268
162 G5A 0.45614 0.715789
163 DZD 0.455882 0.847059
164 LEU LMS 0.454545 0.729167
165 NJP 0.451852 0.833333
166 2A5 0.451327 0.831325
167 5F9 0.45098 0.877778
168 ST9 0.45098 0.877778
169 UCC 0.45098 0.877778
170 DCC 0.45098 0.877778
171 MFK 0.45098 0.877778
172 MYA 0.45098 0.877778
173 A A 0.45082 0.807229
174 NSS 0.45 0.734043
175 NAE 0.45 0.855422
176 54H 0.449153 0.741935
177 52H 0.449153 0.734043
178 VMS 0.449153 0.741935
179 XYA 0.44898 0.740741
180 RAB 0.44898 0.740741
181 ADN 0.44898 0.740741
182 0WD 0.448529 0.813953
183 ATP A A A 0.448 0.817073
184 3DH 0.447619 0.743902
185 7D4 0.446429 0.797619
186 A2P 0.445455 0.814815
187 53H 0.445378 0.734043
188 8X1 0.445378 0.71134
189 CO8 0.444444 0.877778
190 FDA 0.442953 0.782609
191 UOQ 0.442308 0.877778
192 NHW 0.442308 0.877778
193 NHM 0.442308 0.877778
194 FNK 0.441558 0.776596
195 SSA 0.440678 0.734043
196 6FA 0.44 0.808989
197 P5A 0.439024 0.757895
198 0ET 0.43871 0.877778
199 LSS 0.438017 0.736842
200 NPW 0.437037 0.806818
201 EP4 0.436893 0.705882
202 7D3 0.436364 0.797619
203 6AD 0.435897 0.804598
204 5CD 0.435644 0.707317
205 9K8 0.435484 0.71134
206 FAD 0.434211 0.818182
207 FAS 0.434211 0.818182
208 SFD 0.434211 0.712871
209 9JJ 0.433962 0.786517
210 2AM 0.433962 0.804878
211 TXP 0.433824 0.835294
212 ZID 0.433566 0.831325
213 5CA 0.433333 0.734043
214 M24 0.432624 0.795455
215 A3P 0.432432 0.82716
216 62F 0.432258 0.806818
217 HXC 0.431373 0.877778
218 HFD 0.431034 0.811765
219 MRS 0.43038 0.877778
220 MRR 0.43038 0.877778
221 3AM 0.429907 0.792683
222 5X8 0.429825 0.714286
223 AVV 0.429752 0.835294
224 0T1 0.429577 0.875
225 CAJ 0.42953 0.897727
226 NAJ PZO 0.428571 0.772727
227 649 0.428571 0.757895
228 AF3 ADP 3PG 0.428571 0.784091
229 4TA 0.427536 0.797753
230 GSU 0.427419 0.752688
231 KAA 0.427419 0.747368
232 V3L 0.42735 0.851852
233 RFL 0.426752 0.791209
234 7C5 0.426357 0.744186
235 DSZ 0.42623 0.752688
236 5N5 0.425743 0.719512
237 NDE 0.425676 0.821429
238 DCA 0.425532 0.875
239 8Z2 0.425 0.868132
240 HDC 0.424051 0.877778
241 PPS 0.423729 0.755556
242 N0B 0.423611 0.850575
243 F2N 0.423313 0.784946
244 6RE 0.422018 0.674157
245 OVE 0.422018 0.776471
246 YSA 0.421875 0.715789
247 A4D 0.421569 0.719512
248 FAY 0.420382 0.827586
249 NDC 0.42 0.879518
250 KH3 0.419847 0.811765
251 M2T 0.419048 0.689655
252 DTA 0.419048 0.714286
253 AMP DBH 0.418605 0.809524
254 NEC 0.418182 0.719512
255 CMX 0.417808 0.875
256 AMP NAD 0.417266 0.841463
257 XNP 0.417266 0.795455
258 S7M 0.416667 0.767442
259 NAJ PYZ 0.416667 0.73913
260 ETB 0.415493 0.842697
261 MTA 0.415094 0.722892
262 J7C 0.414414 0.681818
263 8PZ 0.414062 0.734043
264 NAP 0.413793 0.831325
265 AAT 0.411765 0.704545
266 7D5 0.411215 0.77381
267 P5F 0.411043 0.793478
268 Z5A 0.410959 0.771739
269 30N 0.410959 0.783505
270 1DG 0.410959 0.813953
271 AMX 0.410959 0.863636
272 DG1 0.410959 0.813953
273 S4M 0.410714 0.741573
274 GJV 0.410714 0.685393
275 SA8 0.410256 0.764706
276 COA 0.409722 0.853933
277 4YB 0.409091 0.736842
278 FAD CNX 0.408537 0.8125
279 7L1 0.408163 0.866667
280 NA0 0.408163 0.843373
281 SAH 0.40678 0.738095
282 MCD 0.406667 0.897727
283 DSH 0.405405 0.72093
284 FAM 0.405405 0.835165
285 FCX 0.405405 0.846154
286 SFG 0.405172 0.743902
287 SMM 0.404959 0.761364
288 NMX 0.403974 0.791667
289 3AT 0.403361 0.829268
290 DTP 0.403361 0.819277
291 0UM 0.403226 0.797619
292 HAX 0.402685 0.835165
293 COA PLM 0.402516 0.866667
294 PLM COA 0.402516 0.866667
295 7DT 0.401709 0.839506
296 CAO 0.401361 0.826087
297 TAP 0.401361 0.781609
298 COS 0.401361 0.835165
299 CS8 0.4 0.868132
300 62X 0.4 0.781609
301 EEM 0.4 0.747126
302 7DD 0.4 0.839506
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5DY5; Ligand: 5GR; Similar sites found with APoc: 163
This union binding pocket(no: 1) in the query (biounit: 5dy5.bio2) has 61 residues
No: Leader PDB Ligand Sequence Similarity
1 5CHR 4NC None
2 5Y02 HBX None
3 1UO5 PIH None
4 4WG0 CHD None
5 5Y02 MXN None
6 1UO4 PIH None
7 5H6S HDH 1.64474
8 5WA0 MSS 1.64474
9 3GDN MXN 1.64474
10 3B1F NAD 1.72414
11 4XCP PLM 1.76471
12 1RNT 2GP 1.92308
13 4NTO 1PW 2.41546
14 3GU3 SAH 2.46479
15 3K6V CIT 2.54237
16 3NJQ NJQ 2.59067
17 1YBH FAD 2.63158
18 4DMG SAM 2.63158
19 3VSE SAH 2.63158
20 4L2I FAD 2.6616
21 1ZX5 LFR 2.66667
22 6CB2 OLC 2.73038
23 2NXE SAM 2.75591
24 3DAK ANP 2.75862
25 1O9W NAG 2.82486
26 2Q28 ADP 2.96053
27 5W7B MYR 2.96053
28 3L9W AMP 2.96053
29 2OG2 MLI 2.96053
30 2CXG GLC GLC 2.96053
31 3EYA FAD 2.96053
32 3L9W GSH 2.96053
33 1XF1 CIT 2.96053
34 3I9U DTU 3.04183
35 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 3.04348
36 3ZV6 NAD 3.20285
37 5KVA SAM 3.23741
38 2ALG HP6 3.26087
39 2ALG DAO 3.26087
40 3KLL MAL 3.28947
41 2HZL PYR 3.28947
42 1YKD CMP 3.28947
43 3EGI ADP 3.39806
44 4DE3 DN8 3.42205
45 6AYH C3G 3.48259
46 3VYW SAM 3.57143
47 4URG C2E 3.59281
48 5OSW DIU 3.61842
49 3G58 988 3.61842
50 4EJN 0R4 3.61842
51 3G4G D71 3.61842
52 1R6N 434 3.79147
53 2FKA BEF 3.87597
54 4QO5 NAG 3.94737
55 4Z2B 4LC 3.94737
56 5JE8 NAD 3.94737
57 1YXM ADE 3.9604
58 5AZC PGT 4
59 1UAY ADN 4.13223
60 4P3H 25G 4.14508
61 5OCQ CIT 4.21053
62 5GVR LMR 4.2735
63 1TZJ A3B 4.27632
64 1HFU NAG NDG 4.27632
65 5X7Q GLC GLC GLC 4.27632
66 5X7Q GLC GLC GLC GLC 4.27632
67 3FSY SCA 4.27632
68 3GWZ SAH 4.27632
69 3GXO SAH 4.27632
70 1QXA GLY GLY GLY 4.27632
71 3ABI NAD 4.27632
72 5WKC FAD 4.60526
73 1T9D FAD 4.60526
74 4K91 SIN 4.60526
75 2AF6 BRU 4.65116
76 4RHP PEF 4.68085
77 1RDS GPC 4.7619
78 3CF6 SP1 4.79042
79 2XYQ SAH 4.91803
80 1Q7E MET 4.93421
81 5HCN DAO 4.93421
82 1PJS NAD 4.93421
83 2BHZ MAL 4.93421
84 5N26 CPT 4.94506
85 4NTM 2K8 4.95868
86 4NTK ZSP 4.95868
87 1PNO NAP 5
88 2OOR TXP 5.17241
89 1J78 VDY 5.26316
90 5YAS FAC 5.44747
91 4FGC PQ0 5.45455
92 1KYQ NAD 5.47445
93 1SQL GUN 5.47945
94 6AYI C3G 5.52764
95 5CQG 55C 5.59211
96 5H4S RAM 5.6338
97 1L3I SAH 5.72917
98 2XG5 EC5 5.78035
99 2XG5 EC2 5.78035
100 1DEK DGP 5.80913
101 4URX FK1 5.92105
102 6BVM EBV 5.92105
103 6BVK EAV 5.92105
104 6BVI EC4 5.92105
105 6BVL EBY 5.92105
106 6BVJ EAS 5.92105
107 1O9U ADZ 5.92105
108 6BR8 6OU 5.95238
109 6BR8 PGV 5.95238
110 3LL5 IP8 6.0241
111 6CI9 NAP 6.17761
112 4A59 AMP 6.25
113 1G7C 5GP 6.25
114 2PX6 DH9 6.25
115 4R29 SAM 6.25
116 2JBM SRT 6.35452
117 1JG3 ADN 6.38298
118 5OBY ANP 6.57895
119 1SQF SAM 6.57895
120 2BCG GER 6.79612
121 2PRG BRL 6.81818
122 1DJN FMN 6.90789
123 5O2D 9HH 7
124 2HNK SAH 7.11297
125 3RMK BML 7.22892
126 3DEF GDP 7.23684
127 3FXU TSU 7.23684
128 1ZQ9 SAM 7.36842
129 5E5U MLT 7.53769
130 2WH8 II2 7.56579
131 4O4Z N2O 7.79221
132 4CQM NAP 8.22368
133 2GWH PCI 8.72483
134 1LSS NAD 8.88158
135 4I4S LAT 8.90411
136 1DJL NAP 9.17874
137 1NBU PH2 9.2437
138 1NU4 MLA 9.27835
139 2VOH CIT 9.55414
140 5A3B APR 9.57096
141 5LX9 OLB 9.85915
142 2V5E SCR 9.90099
143 5W8X UDP 10.1974
144 1D4O NAP 10.3261
145 4PW9 MSS 10.3774
146 1P77 ATR 10.8553
147 5MWE TCE 11.1111
148 5C1M CLR 11.2
149 3ROE THM 11.3208
150 5KAX RHQ 11.4458
151 1L5J TRA 11.5132
152 4CS9 AMP 11.6402
153 3W9F I3P 11.8421
154 4V1T ADP 12.5
155 5DCH 1YO 13.0208
156 5KK4 44E 14.5833
157 1N8V BDD 17.8571
158 1DCP HBI 18.2692
159 5Z84 CHD 18.6441
160 5ZCO CHD 18.6441
161 1T0S BML 20.9302
162 3U31 NAD 35.5172
163 1M2K APR 39.759
Pocket No.: 2; Query (leader) PDB : 5DY5; Ligand: 5GR; Similar sites found with APoc: 3
This union binding pocket(no: 2) in the query (biounit: 5dy5.bio1) has 64 residues
No: Leader PDB Ligand Sequence Similarity
1 6G3R ADP 1.64474
2 5F8F SFG 1.97368
3 1RV1 IMZ 9.41177
Pocket No.: 3; Query (leader) PDB : 5DY5; Ligand: 5GR; 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: 5dy5.bio1) has 64 residues
No: Leader PDB Ligand Sequence Similarity
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