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Receptor
PDB id Resolution Class Description Source Keywords
2QES 1.24 Å EC: 3.2.2.22 CRYSTAL STRUCTURE OF THE RIBOSOME INACTIVATING PROTEIN PDL4 FROM P. DIOICA LEAVES IN COMPLEX WITH ADENINE PHYTOLACCA DIOICA CRYSTAL RIBOSOME INACTIVATING PROTEIN HYDROLASE
Ref.: ATOMIC RESOLUTION (1.1 A) STRUCTURE OF THE RIBOSOME-INACTIVATING PROTEIN PD-L4 FROM PHYTOLACCA DIOICA L. LEAVES PROTEINS V. 71 8 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADE A:501;
Valid;
none;
submit data
135.127 C5 H5 N5 c1[nH...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2QES 1.24 Å EC: 3.2.2.22 CRYSTAL STRUCTURE OF THE RIBOSOME INACTIVATING PROTEIN PDL4 FROM P. DIOICA LEAVES IN COMPLEX WITH ADENINE PHYTOLACCA DIOICA CRYSTAL RIBOSOME INACTIVATING PROTEIN HYDROLASE
Ref.: ATOMIC RESOLUTION (1.1 A) STRUCTURE OF THE RIBOSOME-INACTIVATING PROTEIN PD-L4 FROM PHYTOLACCA DIOICA L. LEAVES PROTEINS V. 71 8 2008
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 2QES - ADE C5 H5 N5 c1[nH]c2c(....
2 2QET - ADE C5 H5 N5 c1[nH]c2c(....
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 2QES - ADE C5 H5 N5 c1[nH]c2c(....
2 2QET - ADE C5 H5 N5 c1[nH]c2c(....
3 1J1R - ADE C5 H5 N5 c1[nH]c2c(....
4 1J1S - FMP C10 H14 N5 O7 P c1nc2c(c(n....
5 1D6A - GUN C5 H5 N5 O c1[nH]c2c(....
6 1QCJ - APT C14 H13 N6 O3 c1cc(ccc1C....
7 1QCI - ADE C5 H5 N5 c1[nH]c2c(....
8 3LE7 - ADE C5 H5 N5 c1[nH]c2c(....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2QES - ADE C5 H5 N5 c1[nH]c2c(....
2 1LPD - ADE C5 H5 N5 c1[nH]c2c(....
3 1J1R - ADE C5 H5 N5 c1[nH]c2c(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ADE; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 ADE 1 1
2 PM6 0.5 0.742857
3 ES4 0.463415 0.685714
4 6AP 0.428571 0.9375
5 XQG 0.422222 0.648649
6 M02 0.411765 0.630435
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2QES; Ligand: ADE; Similar sites found with APoc: 317
This union binding pocket(no: 1) in the query (biounit: 2qes.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 2GTE VA None
2 1ECM TSA None
3 3OJI PYV None
4 1PU7 39A None
5 5VL2 9EG None
6 2ZFZ ARG None
7 2Q16 ITT None
8 1C9K 5GP None
9 3JQM GTP None
10 1XXA ARG None
11 2FV5 541 0.766284
12 1BKC INN 0.78125
13 1XZ3 ICF 1.14943
14 4ZCC FAD 1.4881
15 3LCV SAM 1.53257
16 4Q0A 4OA 1.53257
17 5I39 FAD 1.53257
18 2C9E PID 1.53257
19 3RGA ILD 1.53257
20 5LJ0 6XX 1.53846
21 6C7R EO4 1.6
22 5T2U NAP 1.6129
23 1VLH PNS 1.7341
24 1N1G BCP 1.91571
25 5TTJ FAD 1.91571
26 3FUR Z12 1.91571
27 4GCZ FMN 1.91571
28 5L01 6Z4 1.91571
29 3EM1 TYD 2.05479
30 1NU4 MLA 2.06186
31 5TK8 7D5 2.06186
32 5WQP NAP 2.13675
33 1O8B ABF 2.28311
34 5DEY 59T 2.29885
35 4HA6 FAD 2.29885
36 6F7L FAD 2.29885
37 4D42 W0I 2.29885
38 4D42 NAP 2.29885
39 2Y6Q FAD 2.29885
40 5APK 76E 2.29885
41 5NI5 8YB 2.29885
42 5DB3 58Q 2.29885
43 5NTW 98N 2.33463
44 1Q3A NGH 2.42424
45 5WZU 7W3 2.43902
46 1YMT DR9 2.43902
47 1QAN SAH 2.45902
48 1YP1 LYS ASN LEU 2.47525
49 1YP0 PEF 2.51046
50 1W2Y DUN 2.62009
51 5IXK 6EW 2.63158
52 4JNA FAD 2.64706
53 4C3Y FAD 2.68199
54 4C3Y ANB 2.68199
55 6MPT C30 2.68199
56 4CS4 ANP 2.68199
57 4CS4 AXZ 2.68199
58 5KOX FAD 2.68199
59 5KOX RFP 2.68199
60 5X68 FAD 2.68199
61 2Z3Y F2N 2.68199
62 5EEH SAH 2.68199
63 5EEH P9P 2.68199
64 2GCE SFC 2.68199
65 4RW3 PLM 2.68199
66 1RP0 AHZ 2.68199
67 3VC1 GST 2.68199
68 5BW4 SAM 2.68199
69 6GAR FAD 2.68199
70 2LBD REA 2.68199
71 4ZA8 F5C 2.68199
72 4ZA8 FZZ 2.68199
73 4ZA8 4LU 2.68199
74 2BP1 FLC 2.68199
75 2YAY DUP 2.68199
76 5OGX FAD 2.68199
77 3VC1 SAH 2.68199
78 5HCV 60R 2.72374
79 3E8T UQ8 2.72727
80 1AWI PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO 2.89855
81 1XFF GLU 2.91667
82 5BUK FAD 3.06513
83 4USQ FAD 3.06513
84 3AB1 FAD 3.06513
85 5HGR 45D 3.06513
86 4PLT NAI 3.06513
87 1RSG FAD 3.06513
88 5OSW AE4 3.06513
89 1YY5 FAD 3.06513
90 1V59 NAD 3.06513
91 3MCT SAH 3.06513
92 4DS8 A8S 3.06513
93 3ZS7 ATP 3.06513
94 5JO1 6LM 3.06513
95 1YUC EPH 3.13725
96 2CHT TSA 3.14961
97 5B0I BOG 3.207
98 1ZDU P3A 3.26531
99 5UNJ RJW 3.26531
100 4J3L AJ5 3.33333
101 1T57 FMN 3.39806
102 2D5Z L35 3.42466
103 3U3U EAH 3.43348
104 5IH1 GDP 3.44828
105 5IH1 6BQ 3.44828
106 4XB2 HSE 3.44828
107 2NPX NAD 3.44828
108 2NPX FAD 3.44828
109 5IKH 6BW 3.44828
110 2PGJ N1C 3.44828
111 4MRP GSH 3.44828
112 3DWB RDF 3.44828
113 2BHW NEX 3.44828
114 2Y31 SMQ 3.44828
115 3OJF NDP 3.50195
116 4LRJ ANP 3.5503
117 4LA7 A1O 3.62694
118 4UDB CV7 3.67647
119 5JNN 6LM 3.68421
120 5ETR APC 3.72671
121 5ETR 5RW 3.72671
122 1D4D FAD 3.83142
123 3K7M FAD 3.83142
124 3E1T FAD 3.83142
125 6GAS FAD 3.83142
126 3TKA SAM 3.83142
127 5UKL SIX 3.83142
128 1XSE NDP 3.83142
129 6ANV MTT 3.83142
130 1M13 HYF 3.83142
131 3HST MLR 3.83142
132 5LX9 OLB 3.83142
133 1XKD NAP 3.83142
134 6CBN OZY 3.83142
135 4IVG ANP 3.83142
136 5WRE 7TL 3.87097
137 2HFN FMN 3.92157
138 5B4B LP5 4.03226
139 2B8T THM 4.03587
140 1I1Q TRP 4.16667
141 1NAA 6FA 4.21456
142 1NAA ABL 4.21456
143 1WG8 SAM 4.21456
144 5T67 JHZ 4.21456
145 3ICS FAD 4.21456
146 3ICT FAD 4.21456
147 3ICR FAD 4.21456
148 2G50 PYR 4.21456
149 5T67 SAH 4.21456
150 2RH1 CLR 4.21456
151 2UXI G50 4.28571
152 2QX0 APC 4.40252
153 5UC9 MYR 4.42478
154 3LZW NAP 4.5977
155 3LZW FAD 4.5977
156 3NTA FAD 4.5977
157 3NT6 FAD 4.5977
158 1RYI GOA 4.5977
159 1RYI FAD 4.5977
160 4E5N NAD 4.5977
161 2VL8 UDP 4.5977
162 2VL8 CTS 4.5977
163 5K7K 6RJ 4.5977
164 5WA0 MSS 4.5977
165 5GVL GI8 4.5977
166 5GVL PLG 4.5977
167 1JNR FAD 4.66667
168 5G3N X28 4.72441
169 5FUW THM 4.94506
170 5Y77 FAD 4.98084
171 3NTD FAD 4.98084
172 3CGD COA 4.98084
173 3CGD FAD 4.98084
174 5DEX 5E0 4.98084
175 3CGD NAD 4.98084
176 4GBD MCF 4.98084
177 3OTX AP5 4.98084
178 1VL8 NAP 4.98084
179 5EXT ADP 5
180 1ID0 ANP 5.26316
181 5C9J STE 5.36398
182 2CDU FAD 5.36398
183 1LVL NAD 5.36398
184 2IVD FAD 5.36398
185 5TS5 FAD 5.36398
186 2XXP DSL 5.36398
187 1OKC CXT 5.36398
188 1HYH NAD 5.36398
189 3CQD ATP 5.36398
190 5K52 OCD 5.36398
191 3OH3 UAD 5.36398
192 1DEK DGP 5.39419
193 1ZDT PEF 5.39419
194 2EWM NAD 5.62249
195 1W4R TTP 5.64103
196 3X0V FAD 5.74713
197 4KVL PLM 5.74713
198 6ER9 NAP 5.74713
199 6ER9 FAD 5.74713
200 2IID FAD 5.74713
201 2IID PHE 5.74713
202 1REO FAD 5.74713
203 3UCL CYH 5.74713
204 3UCL FAD 5.74713
205 3UCL NAP 5.74713
206 1NV8 MEQ 5.74713
207 2J4K U5P 5.75221
208 1JQ9 PHE LEU SER TYR LYS 5.78512
209 1OYF MHN 5.78512
210 5UWA 8ND 5.91133
211 3WV8 ATP 5.9633
212 6G5J EM8 6.06061
213 4G5H NAP 6.13027
214 4G5H UD7 6.13027
215 5OC1 FAD 6.13027
216 4IKR PVP 6.13027
217 5UI2 EQ3 6.13027
218 5W8Q BU4 6.13027
219 1N4H REA 6.17761
220 5CSD ACD 6.28931
221 2DKH 3HB 6.51341
222 1COY AND 6.51341
223 1COY FAD 6.51341
224 2P1C GG3 6.51341
225 3T58 FAD 6.51341
226 1FM9 9CR 6.72269
227 5LWY OLA 6.72269
228 1YQZ FAD 6.89655
229 4J36 1HR 6.89655
230 4J36 FAD 6.89655
231 3GD4 FAD 6.89655
232 5JHD GLY ILE LEU GLY PHE VAL PHE THR LEU 7.02479
233 3IS2 FAD 7.14286
234 5GSN FAD 7.27969
235 2ZAT NAP 7.30769
236 3D72 FAD 7.38255
237 4II2 ATP 7.66284
238 5Z21 NAI 7.66284
239 1IN4 ADP 7.66284
240 4C9G CXT 7.66284
241 5T63 ALA ALA ALA ALA 7.66284
242 2JHP SAH 8.04598
243 4CYI ATP 8.04598
244 3QLM PLM 8.06452
245 4XU6 TDA 8.09524
246 5OWC AYZ 8.19672
247 1ATL 0QI 8.41584
248 5AOV NAP 8.42912
249 5BRT FAD 8.42912
250 4K5S PM0 8.81226
251 4K5S FAD 8.81226
252 3S2Y FMN 9.04523
253 4C2V YJA 9.09091
254 5OD2 5ID 9.1954
255 3JZB 4HY 9.1954
256 1GNI OLA 9.1954
257 5VN0 FAD 9.1954
258 3AI3 SOE 9.1954
259 5FJN BE2 9.57854
260 5FJN FAD 9.57854
261 5CG1 NAD BBN 9.57854
262 1QG6 TCL 9.57854
263 1QG6 NAD 9.57854
264 2QJY SMA 9.57854
265 2FP2 TSA 9.63855
266 2B96 ANN 9.7561
267 4YSX FAD 9.92908
268 4D79 ATP 9.96169
269 3H5N ATP 9.96169
270 4RDH AMP 9.96169
271 5F1V 3VN 9.96169
272 4RDI ATP 9.96169
273 3G08 FEE 10.101
274 3RUG DB6 10.101
275 4CNG SAH 10.3448
276 3P0K FAD 10.3448
277 1N46 PFA 10.4651
278 4YV5 SVR 10.6557
279 6F97 FAD 10.728
280 4I90 CHT 10.728
281 5EPO NAP 10.728
282 5G09 6DF 10.728
283 5OJI ISN 10.7692
284 5OJI NAP 10.7692
285 2E5V FAD 11.1111
286 5Z20 NAI 11.1111
287 5EY0 GTP 11.1111
288 5SVV FMN 11.6788
289 1NTV ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 11.8421
290 3NJ4 NAD 11.8774
291 4R38 RBF 12.1429
292 1K0E TRP 12.2605
293 1N9L FMN 12.844
294 5OCA 9QZ 12.9032
295 6AIN FAD 13.0268
296 4F7E 0SH 13.2653
297 3L9R L9R 13.2653
298 1HDC CBO 13.3858
299 3CGB FAD 13.41
300 1R27 MGD 13.41
301 1TMM HHR 13.9241
302 1TMM APC 13.9241
303 5H4J FKM 14.6341
304 2GAG FAD 14.9425
305 2GAG FOA 14.9425
306 2GAG NAD 14.9425
307 4F07 FAD 16.8421
308 2VBU CDP 17.6471
309 2BVL UDP 22.2222
310 2BVL GLC 22.2222
311 3AD8 PYC 23.2323
312 3AD8 FAD 23.2323
313 3AD8 NAD 23.2323
314 2Y69 CHD 30
315 2DYS TGL 42.8571
316 2DYR TGL 42.8571
317 5Z3I ADE 44.0613
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