Receptor
PDB id Resolution Class Description Source Keywords
5AHO 2.16 Å EC: 3.1.-.- CRYSTAL STRUCTURE OF HUMAN 5' EXONUCLEASE APOLLO HOMO SAPIENS HYDROLASE DNA REPAIR METALLO-BETA-LACTAMASE DCLRE1B
Ref.: THE STRUCTURES OF THE SNM1A AND SNM1B/APOLLO NUCLEA DOMAINS REVEAL A POTENTIAL BASIS FOR THEIR DISTINCT PROCESSING ACTIVITIES. NUCLEIC ACIDS RES. V. 43 11047 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:1316;
A:1315;
A:1317;
A:1314;
A:1318;
A:1323;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
ZN A:1321;
A:1320;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
TLA A:1319;
A:1322;
Valid;
Valid;
none;
none;
submit data
150.087 C4 H6 O6 [C@@H...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5AHO 2.16 Å EC: 3.1.-.- CRYSTAL STRUCTURE OF HUMAN 5' EXONUCLEASE APOLLO HOMO SAPIENS HYDROLASE DNA REPAIR METALLO-BETA-LACTAMASE DCLRE1B
Ref.: THE STRUCTURES OF THE SNM1A AND SNM1B/APOLLO NUCLEA DOMAINS REVEAL A POTENTIAL BASIS FOR THEIR DISTINCT PROCESSING ACTIVITIES. NUCLEIC ACIDS RES. V. 43 11047 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 5AHO - TLA C4 H6 O6 [C@@H]([C@....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 families.
1 5AHO - TLA C4 H6 O6 [C@@H]([C@....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 5AHO - TLA C4 H6 O6 [C@@H]([C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TLA; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 SRT 1 1
2 TLA 1 1
3 TAR 1 1
4 RAT 0.588235 1
5 GAE 0.588235 1
6 LGT 0.588235 1
7 LAC 0.5 0.611111
8 2OP 0.5 0.611111
9 IPM 0.47619 0.8
10 LFC 0.434783 0.777778
11 ICT 0.416667 0.727273
12 DXX 0.411765 0.777778
13 MAK 0.4 0.941176
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5AHO; Ligand: TLA; Similar sites found: 276
This union binding pocket(no: 1) in the query (biounit: 5aho.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2BOS GLA GAL GLC 0.005089 0.41057 None
2 3L8G GMB 0.0008576 0.40897 None
3 2BOS GLA GAL GLC NBU 0.00574 0.40799 None
4 3F8K COA 0.04415 0.4045 None
5 4C4A SAH 0.00912 0.42234 1.19048
6 2Y6Q FAD 0.0005964 0.50251 1.4881
7 2Y6Q I7T 0.001096 0.50251 1.4881
8 3SSO SAH 0.001326 0.49343 1.4881
9 5E72 SAM 0.002536 0.44763 1.4881
10 2O4C NAD 0.02375 0.40846 1.4881
11 1SC6 NAD 0.01958 0.40589 1.4881
12 1GKZ ADP 0.01299 0.42528 1.54639
13 5X20 NAD 0.006106 0.43249 1.60256
14 1WP4 NDP 0.0133 0.41446 1.7301
15 4CNK FAD 0.0001325 0.54038 1.78571
16 4RPL 3UC 0.0006334 0.53284 1.78571
17 4RPL FAD 0.001232 0.50669 1.78571
18 5JCM NAD 0.002134 0.49733 1.78571
19 5JCM ISD 0.002134 0.49733 1.78571
20 5JCM FAD 0.002082 0.49733 1.78571
21 2VVM FAD 0.001258 0.48633 1.78571
22 5K8B PDG 0.005875 0.45302 1.78571
23 1I9G SAM 0.003953 0.44721 1.78571
24 4I54 1C1 0.04188 0.40126 1.78571
25 2AG5 NAD 0.02707 0.40352 2.03252
26 4EMI FAD 0.0005317 0.51916 2.08333
27 4EMI NAD 0.001072 0.51916 2.08333
28 1D4D FAD 0.0005697 0.51426 2.08333
29 1QO8 FAD 0.0006684 0.50526 2.08333
30 1GET FAD 0.003147 0.49045 2.08333
31 1GET NAP 0.003298 0.49045 2.08333
32 3E1T FAD 0.002498 0.47074 2.08333
33 4L8V NAP 0.003038 0.44824 2.08333
34 3CIF NAD 0.008644 0.42355 2.08333
35 3CIF G3H 0.01245 0.42269 2.08333
36 4UCI SAM 0.01405 0.42106 2.08333
37 5N5D SAM 0.004675 0.43867 2.21239
38 5AYV KPL 0.01602 0.41898 2.26537
39 4OPC PGT 0.001382 0.52361 2.38095
40 4OPC FDA 0.001229 0.52361 2.38095
41 1UWK URO 0.007287 0.45951 2.38095
42 1UWK NAD 0.007287 0.45951 2.38095
43 1IWE IMP 0.03328 0.43842 2.38095
44 4NMC 2OP 0.04239 0.41655 2.38095
45 4NMC FAD 0.04391 0.41655 2.38095
46 4DCM SAM 0.01467 0.4137 2.38095
47 1RF6 GPJ 0.02967 0.40682 2.38095
48 1RF6 S3P 0.02967 0.40682 2.38095
49 3GDN FAD 0.04592 0.40456 2.38095
50 1V59 NAD 0.00024 0.40248 2.38095
51 4CE5 PDG 0.009819 0.43172 2.4024
52 4IF4 BEF 0.002883 0.42382 2.40385
53 2GLX NDP 0.00314 0.46798 2.40964
54 4UUG PXG 0.00559 0.44765 2.40964
55 4POO SAM 0.001225 0.47514 2.5
56 3RG9 WRA 0.006563 0.46078 2.5
57 3RG9 NDP 0.006569 0.45791 2.5
58 1LDN NAD 0.008674 0.41735 2.53165
59 3KLJ FAD 0.0005815 0.5103 2.67857
60 1YQZ FAD 0.001202 0.50103 2.67857
61 1N4W FAD 0.001674 0.48574 2.67857
62 4AFK FLC 0.001017 0.43322 2.67857
63 2YX1 SFG 0.007663 0.43138 2.67857
64 3AB3 GDP 0.0307 0.40136 2.67857
65 4D0N GDP 0.01786 0.40142 2.7027
66 2EFE GNH 0.004325 0.43045 2.76243
67 3H4V DVP 0.01612 0.42448 2.77778
68 5UAV TFB 0.0008783 0.48908 2.79503
69 5UAV NDP 0.0008783 0.48908 2.79503
70 1WG8 SAM 0.0004003 0.51216 2.80702
71 1ZQ9 SAM 0.004181 0.43411 2.80702
72 4RL4 PPV 0.01192 0.40477 2.83019
73 4R81 FMN 0.01912 0.41188 2.91262
74 5EE5 GTP 0.01807 0.41491 2.92398
75 5T9E NAP 0.008195 0.43476 2.95203
76 3Q85 GNP 0.009557 0.4179 2.95858
77 2E5V FAD 0.0003939 0.51458 2.97619
78 2HQM FAD 0.001719 0.49031 2.97619
79 3VC3 C6P 0.007763 0.44493 2.97619
80 5DWQ SFG 0.005135 0.43861 2.97619
81 5DX0 SFG 0.007966 0.43295 2.97619
82 1XNK XS2 0.02006 0.40607 3.06122
83 2RBK VN4 0.008655 0.41175 3.06513
84 2V3B FAD 0.0001382 0.54938 3.27381
85 3NDJ SAH 0.0002179 0.54403 3.27381
86 3NDJ JHZ 0.0002179 0.54403 3.27381
87 2B9W FAD 0.001115 0.50776 3.27381
88 4M52 FAD 0.005019 0.45688 3.27381
89 3C6K MTA 0.01711 0.42328 3.27381
90 3C6K SPD 0.01711 0.42328 3.27381
91 1P0F NAP 0.01119 0.43457 3.48525
92 1P1C SAH 0.003705 0.44009 3.51759
93 1F6B GDP 0.005928 0.43381 3.53535
94 4J36 1HR 0.0000974 0.57067 3.57143
95 4J36 FAD 0.00008301 0.55916 3.57143
96 4TM3 FAD 0.002848 0.48689 3.57143
97 1X7D ORN 0.008684 0.43381 3.57143
98 2FFU UDP 0.006763 0.42969 3.57143
99 1X7D NAD 0.007024 0.42908 3.57143
100 1D8T GDP 0.009201 0.42121 3.57143
101 1KK1 GNP 0.009052 0.41268 3.57143
102 5FG3 GDP 0.01183 0.40461 3.57143
103 1V7C HEY 0.04506 0.40405 3.57143
104 4KIB SAH 0.02048 0.40215 3.57143
105 1WDI CIT 0.009422 0.40029 3.57143
106 1RE0 GDP 0.01762 0.40154 3.61991
107 4TQG NDP 0.00606 0.43689 3.71517
108 5GT9 NAP 0.01054 0.43081 3.80228
109 5HRA DAS 0.01411 0.40646 3.82979
110 5FJN BE2 0.001643 0.49271 3.86905
111 5FJN FAD 0.001471 0.49271 3.86905
112 4MIG G3F 0.02391 0.41992 3.86905
113 2PQB GG9 0.02733 0.40392 3.86905
114 2BZG SAH 0.004837 0.43153 3.87931
115 1KSH GDP 0.01135 0.42824 3.94737
116 3DUW SAH 0.004927 0.43809 4.03587
117 5THQ NDP 0.00368 0.43964 4.04412
118 2Z3Y F2N 0.0005323 0.51491 4.16667
119 1V8B NAD 0.003883 0.45534 4.16667
120 3NJ4 NAD 0.03101 0.4428 4.16667
121 3NJ4 AFX 0.03101 0.4428 4.16667
122 5ULJ 0WD 0.01702 0.41502 4.16667
123 4XB2 NDP 0.0246 0.40573 4.16667
124 3VPH OXM 0.001114 0.48266 4.19355
125 1LAF ARG 0.009899 0.43254 4.20168
126 1O3Y GTP 0.02542 0.41173 4.21687
127 1W8D NAP 0.02769 0.40079 4.30464
128 5D9X GSH 0.009641 0.40957 4.34783
129 3JSX FAD 0.0221 0.40249 4.3956
130 3JSX CC2 0.03405 0.40249 4.3956
131 3GGO NAI 0.006206 0.44908 4.4586
132 3GGO ENO 0.006206 0.44908 4.4586
133 3AFN NAP 0.004358 0.45491 4.65116
134 2P0D I3P 0.004433 0.45482 4.65116
135 2VT3 ATP 0.0001379 0.41223 4.65116
136 2B4Q NAP 0.005687 0.44548 4.71014
137 3UCL NAP 0.00009836 0.58814 4.7619
138 3UCL CYH 0.0000903 0.58814 4.7619
139 3UCL FAD 0.0000903 0.58814 4.7619
140 5MBX FAD 0.00204 0.48257 4.7619
141 5MBX SP5 0.00204 0.48257 4.7619
142 2XVE FAD 0.008402 0.4658 4.7619
143 3ZNN FAD 0.005443 0.46078 4.7619
144 3ZNN 4WL 0.005443 0.46078 4.7619
145 1FEC FAD 0.01096 0.44755 4.7619
146 5IE3 OXD 0.01245 0.4222 4.7619
147 5IE3 AMP 0.01245 0.4222 4.7619
148 2WJH GDP 0.01159 0.41007 4.81928
149 2WJH FLC 0.01795 0.40552 4.81928
150 5D4V SAH 0.001093 0.46785 4.85075
151 1TE2 PGA 0.001144 0.42075 4.86726
152 4P3Y GDP 0.01365 0.4066 4.94506
153 4XUC SAM 0.0293 0.40673 5.04587
154 4XUC 43G 0.0293 0.40673 5.04587
155 3CGD FAD 0.005826 0.47969 5.05952
156 3CGD NAD 0.005826 0.47969 5.05952
157 3CGD COA 0.005826 0.47969 5.05952
158 4YNU FAD 0.007646 0.45216 5.05952
159 4YNU LGC 0.008666 0.45216 5.05952
160 4JJF N2I 0.01098 0.41911 5.05952
161 4JJF FE9 0.009924 0.41911 5.05952
162 3X0D SAH 0.01096 0.41765 5.05952
163 2IVF MD1 0.03252 0.41671 5.14019
164 2IVF MGD 0.0316 0.41514 5.14019
165 1L7N ALF 0.002069 0.42937 5.21327
166 2VZ0 NAP 0.01319 0.44814 5.22388
167 2VZ0 D64 0.01319 0.44814 5.22388
168 2PT9 S4M 0.01271 0.43203 5.29595
169 4C3Y ANB 0.002333 0.47436 5.35714
170 4C3Y FAD 0.001947 0.47436 5.35714
171 5KVA SAM 0.001439 0.46781 5.35714
172 3KJS NAP 0.004169 0.45279 5.35714
173 3KJS DQ1 0.006777 0.45279 5.35714
174 1L5J TRA 0.00884 0.42238 5.35714
175 1QZR ANP 0.03042 0.41659 5.35714
176 1NVU GTP 0.02067 0.40135 5.42169
177 5K6A NAP 0.005643 0.43709 5.55556
178 3JQ9 NAP 0.01656 0.40722 5.55556
179 1U1I NAD 0.01333 0.42492 5.65476
180 2B4R AES 0.009121 0.42421 5.65476
181 1C96 FLC 0.01074 0.41748 5.65476
182 2B4R NAD 0.03504 0.41271 5.65476
183 4E5N NAD 0.009999 0.43908 5.75758
184 5O4J 9KH 0.003342 0.45923 5.83942
185 5O4J SAH 0.003342 0.45923 5.83942
186 5O4J PJL 0.003425 0.45611 5.83942
187 3GJ4 GDP 0.01473 0.40732 5.88235
188 5L3W GDP 0.01553 0.40229 5.88235
189 2A92 NAI 0.0003036 0.52164 5.919
190 1PS9 FAD 0.0007897 0.51885 5.95238
191 2DFV NAD 0.001542 0.48086 5.95238
192 1UP7 NAD 0.001525 0.46804 5.95238
193 1ELI PYC 0.003026 0.46289 5.95238
194 1PS9 NAP 0.00395 0.45392 5.95238
195 3QVP FAD 0.01169 0.43646 5.95238
196 3WGT QSC 0.02869 0.43046 5.95238
197 3WGT FAD 0.02791 0.43046 5.95238
198 3LCC SAH 0.03064 0.40115 5.95238
199 5BW4 SAM 0.008737 0.41477 5.99251
200 3NTD FAD 0.002097 0.47277 6.25
201 2WR9 MAN MAN 0.008184 0.41427 6.25
202 5DXV NAP 0.02134 0.4086 6.41026
203 1P9P SAH 0.007191 0.43419 6.51341
204 1BXG NAD 0.01321 0.4158 6.54762
205 4PL7 ATP 0.03924 0.40656 6.54762
206 3FUU ADN 0.001501 0.46689 6.64207
207 4BKJ STI 0.03138 0.40968 6.66667
208 1BC5 SAH 0.02943 0.40772 6.69145
209 4ZGS NAD 0.009253 0.42146 6.73575
210 1ZC3 GNP 0.01158 0.41554 6.85714
211 1UAD GNP 0.01589 0.40582 6.85714
212 2CUL FAD 0.002267 0.46881 6.89655
213 3R96 ACO 0.0312 0.41295 6.91489
214 3R96 AMP 0.0312 0.41295 6.91489
215 4X1Z FUC GAL NDG 0.00473 0.42289 6.92771
216 1SL3 170 0.01795 0.40393 6.96864
217 3FGZ BEF 0.002418 0.41581 7.03125
218 3AYI FAD 0.0018 0.48976 7.14286
219 3AYI HCI 0.001856 0.48976 7.14286
220 2FZW NAD 0.008993 0.4515 7.14286
221 3VCY UD1 0.02827 0.41024 7.14286
222 4L2I NAD 0.007834 0.45118 7.22433
223 4L2I FAD 0.03301 0.40912 7.22433
224 4P3H 25G 0.03431 0.40167 7.25389
225 1Q0S SAH 0.01142 0.42214 7.33591
226 3EF0 ALF 0.003013 0.41588 7.7381
227 1VQW FAD 0.0001309 0.55531 8.03571
228 2GVC FAD 0.0001503 0.55049 8.03571
229 2YN4 39J 0.0001179 0.46508 8.05085
230 4J4H 1J1 0.003739 0.46973 8.10811
231 4J4H NAI 0.003739 0.46973 8.10811
232 5T67 SAH 0.0002942 0.53046 8.33333
233 5T67 JHZ 0.0003615 0.53046 8.33333
234 1CF2 NAP 0.007557 0.42686 8.33333
235 5IDM ANP 0.01128 0.4283 8.37989
236 5KUT GDP 0.01481 0.40335 8.46561
237 1VKF CIT 0.01676 0.40595 8.51064
238 4BV6 FAD 0.0006538 0.51294 8.63095
239 1JNR FAD 0.006032 0.47379 8.63095
240 4RQU NAD 0.008208 0.42757 8.63095
241 5M67 3D1 0.002843 0.47945 8.92857
242 2ZKJ ADP 0.03157 0.427 8.92857
243 5M67 NAD 0.04861 0.41026 8.92857
244 3N26 ARG 0.009978 0.4179 8.94309
245 4CNG SAH 0.0451 0.40872 9.01961
246 2CDU ADP 0.00009653 0.5242 9.22619
247 2CDU FAD 0.002954 0.46429 9.22619
248 1R27 MGD 0.009398 0.44501 9.22619
249 1WK8 VMS 0.01899 0.40901 9.27835
250 2J0B UDP 0.001386 0.45078 9.28571
251 4GUT FAD 0.002685 0.46977 9.52381
252 4HSU FAD 0.00275 0.46741 9.52381
253 2CWH NDP 0.03723 0.40162 9.52381
254 2CWH PYC 0.04407 0.40162 9.52381
255 4KP7 NAP 0.04576 0.40217 9.82143
256 5HPY GDP 0.0275 0.40098 10.3448
257 1AE1 NAP 0.00221 0.46222 10.989
258 1TMO 2MD 0.04985 0.4093 11.0119
259 4J3L AJ5 0.004075 0.43586 11.9048
260 4RD0 GDP 0.01873 0.41617 12.5
261 5BXQ GDP 0.01163 0.41409 12.5984
262 4J56 FAD 0.007287 0.45089 13.1579
263 3OID NDP 0.0003119 0.52941 13.1783
264 5BUK FAD 0.003244 0.46544 13.3929
265 1TU3 GNP 0.02672 0.4028 14.0351
266 1R2Q GNP 0.01487 0.40549 14.1176
267 4MRT COA 0.04148 0.40585 14.4444
268 2YVJ NAI 0.001132 0.46656 14.6789
269 2YVJ FAD 0.01291 0.42624 14.6789
270 4M73 M72 0.003559 0.46539 15.1786
271 4M73 SAH 0.003014 0.46457 15.1786
272 3D36 ADP 0.01987 0.41704 17.3913
273 1L5Y BEF 0.0002353 0.49232 20
274 1E6E FAD 0.0000777 0.56182 20.3125
275 3WV8 ATP 0.005135 0.43058 22.0183
276 2F5Z FAD 0.000906 0.50413 25
Pocket No.: 2; Query (leader) PDB : 5AHO; Ligand: TLA; 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: 5aho.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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