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- Structure Biounit | Ligand Information
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- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 2Y4N | - | DLL | C18 H20 N5 O8 P | c1ccc(cc1).... |
2 | 2Y27 | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
3 | 2Y4O | - | DLL | C18 H20 N5 O8 P | c1ccc(cc1).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 2Y4N | - | DLL | C18 H20 N5 O8 P | c1ccc(cc1).... |
2 | 2Y27 | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
3 | 2Y4O | - | DLL | C18 H20 N5 O8 P | c1ccc(cc1).... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | DLL | 1 | 1 |
2 | OOB | 0.736264 | 1 |
3 | CA0 | 0.729412 | 0.958904 |
4 | FA5 | 0.729167 | 0.972603 |
5 | KG4 | 0.72093 | 0.958904 |
6 | 5AL | 0.719101 | 0.972222 |
7 | 8LQ | 0.706522 | 0.945946 |
8 | 8LH | 0.703297 | 0.945946 |
9 | SRP | 0.703297 | 0.945946 |
10 | 8LE | 0.7 | 0.933333 |
11 | A2D | 0.690476 | 0.958333 |
12 | QA7 | 0.688172 | 0.933333 |
13 | FYA | 0.680412 | 0.918919 |
14 | 3UK | 0.677083 | 0.986111 |
15 | BA3 | 0.674419 | 0.958333 |
16 | WAQ | 0.670103 | 0.921053 |
17 | B5V | 0.670103 | 0.972603 |
18 | AP5 | 0.666667 | 0.958333 |
19 | B4P | 0.666667 | 0.958333 |
20 | ADP | 0.666667 | 0.931507 |
21 | 1ZZ | 0.663265 | 0.875 |
22 | 8QN | 0.663158 | 0.972222 |
23 | AT4 | 0.659091 | 0.894737 |
24 | AN2 | 0.659091 | 0.918919 |
25 | PAJ | 0.65625 | 0.897436 |
26 | 4AD | 0.65625 | 0.933333 |
27 | AMO | 0.65625 | 0.945946 |
28 | APR | 0.655556 | 0.958333 |
29 | AR6 | 0.655556 | 0.958333 |
30 | A | 0.654762 | 0.930556 |
31 | AMP | 0.654762 | 0.930556 |
32 | M33 | 0.651685 | 0.918919 |
33 | ADX | 0.651685 | 0.839506 |
34 | 00A | 0.649485 | 0.946667 |
35 | NB8 | 0.646465 | 0.909091 |
36 | ATP | 0.644444 | 0.931507 |
37 | ACP | 0.644444 | 0.906667 |
38 | 50T | 0.644444 | 0.893333 |
39 | HEJ | 0.644444 | 0.931507 |
40 | 5FA | 0.637363 | 0.931507 |
41 | AQP | 0.637363 | 0.931507 |
42 | PRX | 0.637363 | 0.881579 |
43 | LAD | 0.636364 | 0.897436 |
44 | ANP | 0.634409 | 0.906667 |
45 | 9SN | 0.633663 | 0.934211 |
46 | AHX | 0.632653 | 0.884615 |
47 | 45A | 0.632184 | 0.905405 |
48 | ABM | 0.632184 | 0.905405 |
49 | AGS | 0.630435 | 0.883117 |
50 | AD9 | 0.630435 | 0.906667 |
51 | ME8 | 0.63 | 0.875 |
52 | TXA | 0.63 | 0.945946 |
53 | PTJ | 0.63 | 0.909091 |
54 | AMP MG | 0.627907 | 0.916667 |
55 | B5M | 0.627451 | 0.959459 |
56 | B5Y | 0.627451 | 0.959459 |
57 | OAD | 0.626263 | 0.958904 |
58 | PR8 | 0.62 | 0.886076 |
59 | A12 | 0.617977 | 0.894737 |
60 | AP2 | 0.617977 | 0.894737 |
61 | ACQ | 0.617021 | 0.906667 |
62 | GAP | 0.617021 | 0.932432 |
63 | AU1 | 0.615385 | 0.906667 |
64 | OZV | 0.612245 | 0.931507 |
65 | V2G | 0.610526 | 0.909091 |
66 | SRA | 0.609195 | 0.881579 |
67 | LAQ | 0.607477 | 0.875 |
68 | TYM | 0.605505 | 0.972603 |
69 | SON | 0.604396 | 0.945946 |
70 | ATF | 0.604167 | 0.894737 |
71 | 4UV | 0.6 | 0.959459 |
72 | 3OD | 0.598039 | 0.958904 |
73 | 6YZ | 0.597938 | 0.906667 |
74 | RBY | 0.595745 | 0.92 |
75 | ADV | 0.595745 | 0.92 |
76 | HQG | 0.591837 | 0.945205 |
77 | IOT | 0.589286 | 0.843373 |
78 | YLP | 0.587156 | 0.853659 |
79 | ADP MG | 0.586957 | 0.930556 |
80 | ADP BEF | 0.586957 | 0.930556 |
81 | A22 | 0.585859 | 0.945205 |
82 | APC | 0.585106 | 0.894737 |
83 | JNT | 0.584158 | 0.906667 |
84 | T99 | 0.583333 | 0.894737 |
85 | TAT | 0.583333 | 0.894737 |
86 | 25A | 0.58 | 0.958333 |
87 | 9ZA | 0.58 | 0.921053 |
88 | 9ZD | 0.58 | 0.921053 |
89 | 5SV | 0.58 | 0.8375 |
90 | 9X8 | 0.578431 | 0.907895 |
91 | XAH | 0.575472 | 0.851852 |
92 | ADQ | 0.574257 | 0.958904 |
93 | A3R | 0.574257 | 0.871795 |
94 | A1R | 0.574257 | 0.871795 |
95 | 4UU | 0.574074 | 0.959459 |
96 | YLC | 0.571429 | 0.875 |
97 | YLB | 0.571429 | 0.853659 |
98 | DAL AMP | 0.57 | 0.945205 |
99 | DQV | 0.568807 | 0.972222 |
100 | DND | 0.567568 | 0.972603 |
101 | 4UW | 0.567568 | 0.922078 |
102 | BT5 | 0.564103 | 0.843373 |
103 | APC MG | 0.5625 | 0.905405 |
104 | ADP PO3 | 0.5625 | 0.930556 |
105 | ATP MG | 0.5625 | 0.930556 |
106 | BEF ADP | 0.556701 | 0.905405 |
107 | YLA | 0.556522 | 0.853659 |
108 | ANP MG | 0.555556 | 0.918919 |
109 | MAP | 0.554455 | 0.883117 |
110 | BIS | 0.552381 | 0.871795 |
111 | AYB | 0.551724 | 0.843373 |
112 | MYR AMP | 0.54717 | 0.851852 |
113 | 25L | 0.54717 | 0.945205 |
114 | LMS | 0.544444 | 0.817073 |
115 | AMP DBH | 0.541284 | 0.906667 |
116 | ALF ADP | 0.54 | 0.858974 |
117 | VO4 ADP | 0.54 | 0.906667 |
118 | NAX | 0.539823 | 0.886076 |
119 | CNA | 0.538462 | 0.945946 |
120 | KMQ | 0.537037 | 0.92 |
121 | G3A | 0.536364 | 0.909091 |
122 | OMR | 0.535088 | 0.864198 |
123 | TXE | 0.535088 | 0.921053 |
124 | M24 | 0.532787 | 0.910256 |
125 | AOC | 0.532609 | 0.810811 |
126 | AFH | 0.531532 | 0.897436 |
127 | GA7 | 0.531532 | 0.894737 |
128 | G5P | 0.531532 | 0.909091 |
129 | 48N | 0.530973 | 0.909091 |
130 | A5D | 0.530612 | 0.8 |
131 | NAD | 0.529412 | 0.972222 |
132 | NAI | 0.526316 | 0.921053 |
133 | 6V0 | 0.526316 | 0.909091 |
134 | 5AS | 0.526316 | 0.770115 |
135 | TXD | 0.526316 | 0.921053 |
136 | G5A | 0.525253 | 0.790698 |
137 | 8PZ | 0.522936 | 0.811765 |
138 | F2R | 0.521008 | 0.853659 |
139 | A3D | 0.520661 | 0.958904 |
140 | YLY | 0.520325 | 0.843373 |
141 | N0B | 0.52 | 0.876543 |
142 | SSA | 0.519608 | 0.790698 |
143 | ARG AMP | 0.517857 | 0.841463 |
144 | L3W | 0.517241 | 0.92 |
145 | D4F | 0.516129 | 0.898734 |
146 | A3P | 0.515789 | 0.930556 |
147 | PAP | 0.515152 | 0.917808 |
148 | GTA | 0.513274 | 0.875 |
149 | DZD | 0.512397 | 0.897436 |
150 | XYA | 0.511905 | 0.808219 |
151 | ADN | 0.511905 | 0.808219 |
152 | RAB | 0.511905 | 0.808219 |
153 | 5CD | 0.511628 | 0.794521 |
154 | A5A | 0.509804 | 0.819277 |
155 | TSB | 0.509615 | 0.809524 |
156 | 5CA | 0.509615 | 0.790698 |
157 | ADP BMA | 0.504673 | 0.932432 |
158 | YSA | 0.504505 | 0.811765 |
159 | 7MD | 0.504425 | 0.875 |
160 | LPA AMP | 0.504348 | 0.851852 |
161 | NAD TDB | 0.504274 | 0.958333 |
162 | AP0 | 0.504274 | 0.884615 |
163 | NAD IBO | 0.504274 | 0.958333 |
164 | T5A | 0.504202 | 0.853659 |
165 | COD | 0.504132 | 0.802326 |
166 | UP5 | 0.5 | 0.933333 |
167 | 3AM | 0.5 | 0.890411 |
168 | PPS | 0.5 | 0.817073 |
169 | 52H | 0.5 | 0.790698 |
170 | TAD | 0.5 | 0.873418 |
171 | 54H | 0.5 | 0.8 |
172 | VMS | 0.5 | 0.8 |
173 | 5N5 | 0.5 | 0.783784 |
174 | A4P | 0.5 | 0.833333 |
175 | ZID | 0.496063 | 0.958904 |
176 | 649 | 0.495726 | 0.775281 |
177 | ATP A A A | 0.495495 | 0.944444 |
178 | ATP A | 0.495495 | 0.944444 |
179 | JB6 | 0.495413 | 0.896104 |
180 | 53H | 0.495238 | 0.790698 |
181 | 8X1 | 0.495238 | 0.764045 |
182 | A4D | 0.494253 | 0.783784 |
183 | NAE | 0.492063 | 0.933333 |
184 | AMP NAD | 0.491803 | 0.972222 |
185 | 139 | 0.491667 | 0.886076 |
186 | UPA | 0.491525 | 0.921053 |
187 | 4TC | 0.491525 | 0.909091 |
188 | B1U | 0.491071 | 0.766667 |
189 | QXP | 0.490566 | 0.776471 |
190 | 2A5 | 0.49 | 0.857143 |
191 | 6RE | 0.489362 | 0.728395 |
192 | 3DH | 0.48913 | 0.763158 |
193 | DTA | 0.488889 | 0.8 |
194 | P5A | 0.486239 | 0.755556 |
195 | LSS | 0.485981 | 0.772727 |
196 | DSZ | 0.485981 | 0.811765 |
197 | NSS | 0.485981 | 0.790698 |
198 | A2R | 0.485714 | 0.945205 |
199 | ATR | 0.485149 | 0.90411 |
200 | ITT | 0.484848 | 0.878378 |
201 | 80F | 0.483871 | 0.876543 |
202 | WSA | 0.483051 | 0.821429 |
203 | AHZ | 0.482759 | 0.851852 |
204 | 9K8 | 0.481818 | 0.764045 |
205 | NVA LMS | 0.481481 | 0.764045 |
206 | H1Q | 0.48 | 0.891892 |
207 | BTX | 0.479675 | 0.831325 |
208 | ADJ | 0.479339 | 0.864198 |
209 | J7C | 0.479167 | 0.7375 |
210 | 7MC | 0.478992 | 0.853659 |
211 | KOY | 0.478632 | 0.864865 |
212 | AR6 AR6 | 0.478261 | 0.958333 |
213 | 7D5 | 0.478261 | 0.842105 |
214 | EP4 | 0.477778 | 0.74359 |
215 | NAQ | 0.476562 | 0.909091 |
216 | 7D3 | 0.474227 | 0.844156 |
217 | 4YB | 0.474138 | 0.813953 |
218 | KAA | 0.472727 | 0.764045 |
219 | GSU | 0.472727 | 0.811765 |
220 | M2T | 0.472527 | 0.725 |
221 | AF3 ADP 3PG | 0.470588 | 0.873418 |
222 | ALF ADP 3PG | 0.470588 | 0.873418 |
223 | 7D4 | 0.47 | 0.844156 |
224 | A2P | 0.469388 | 0.916667 |
225 | MTA | 0.467391 | 0.763158 |
226 | EAD | 0.465649 | 0.886076 |
227 | 5X8 | 0.465347 | 0.8 |
228 | A3N | 0.463918 | 0.753247 |
229 | QXG | 0.463636 | 0.767442 |
230 | LEU LMS | 0.463636 | 0.761364 |
231 | V3L | 0.461538 | 0.958333 |
232 | NWW | 0.460674 | 0.75 |
233 | R2V | 0.459459 | 0.776471 |
234 | 6MZ | 0.459184 | 0.891892 |
235 | GJV | 0.459184 | 0.719512 |
236 | 6AD | 0.457143 | 0.85 |
237 | NAJ PZO | 0.456693 | 0.884615 |
238 | NDC | 0.455882 | 0.909091 |
239 | A3G | 0.453608 | 0.789474 |
240 | NEC | 0.453608 | 0.736842 |
241 | O02 | 0.451923 | 0.860759 |
242 | HFD | 0.451923 | 0.883117 |
243 | JSQ | 0.451923 | 0.883117 |
244 | P1H | 0.451852 | 0.864198 |
245 | NDE | 0.451852 | 0.945946 |
246 | SFG | 0.45098 | 0.786667 |
247 | NA7 | 0.45045 | 0.894737 |
248 | IMO | 0.44898 | 0.890411 |
249 | V47 | 0.448598 | 0.847222 |
250 | ZAS | 0.447917 | 0.75641 |
251 | F2N | 0.446667 | 0.804598 |
252 | J4G | 0.446429 | 0.933333 |
253 | A3S | 0.445545 | 0.8 |
254 | FB0 | 0.445255 | 0.775281 |
255 | S4M | 0.444444 | 0.659091 |
256 | NO7 | 0.444444 | 0.87013 |
257 | 0WD | 0.444444 | 0.909091 |
258 | K3K | 0.443478 | 0.792208 |
259 | SA8 | 0.442308 | 0.740741 |
260 | 2AM | 0.442105 | 0.878378 |
261 | ARU | 0.441441 | 0.804878 |
262 | MHZ | 0.441176 | 0.689655 |
263 | MAO | 0.44 | 0.75 |
264 | FAQ | 0.439716 | 0.795455 |
265 | LQJ | 0.439655 | 0.931507 |
266 | 38V | 0.439394 | 0.875 |
267 | 2SA | 0.439252 | 0.92 |
268 | DSH | 0.438776 | 0.716049 |
269 | SAI | 0.438095 | 0.769231 |
270 | SAH | 0.438095 | 0.779221 |
271 | A6D | 0.4375 | 0.73494 |
272 | CUU | 0.436893 | 0.905405 |
273 | DAT | 0.436893 | 0.844156 |
274 | NJP | 0.436508 | 0.933333 |
275 | GEK | 0.436364 | 0.772152 |
276 | AVV | 0.436364 | 0.860759 |
277 | K3E | 0.435897 | 0.782051 |
278 | S7M | 0.435185 | 0.722892 |
279 | SMM | 0.435185 | 0.717647 |
280 | SAM | 0.433962 | 0.722892 |
281 | 3AT | 0.433962 | 0.905405 |
282 | DTP | 0.433962 | 0.844156 |
283 | 4TA | 0.433071 | 0.841463 |
284 | 0UM | 0.432432 | 0.731707 |
285 | 7C5 | 0.432203 | 0.855263 |
286 | NAJ PYZ | 0.431818 | 0.841463 |
287 | A7D | 0.431373 | 0.766234 |
288 | 8Q2 | 0.430894 | 0.784091 |
289 | DCA | 0.430769 | 0.793103 |
290 | N5A | 0.43 | 0.727273 |
291 | AAT | 0.429907 | 0.698795 |
292 | EEM | 0.429907 | 0.722892 |
293 | K2R | 0.429825 | 0.918919 |
294 | FAJ | 0.428571 | 0.843373 |
295 | OVE | 0.428571 | 0.844156 |
296 | N6P | 0.428571 | 0.902778 |
297 | GGZ | 0.427273 | 0.792683 |
298 | D3Y | 0.427273 | 0.802632 |
299 | NWQ | 0.427083 | 0.72973 |
300 | AV2 | 0.425926 | 0.855263 |
301 | KXW | 0.425 | 0.7625 |
302 | 6C6 | 0.424528 | 0.846154 |
303 | N5O | 0.424242 | 0.753247 |
304 | V1N | 0.423729 | 0.958333 |
305 | NAD BBN | 0.423611 | 0.853659 |
306 | 6K6 | 0.423423 | 0.891892 |
307 | A3T | 0.423077 | 0.810811 |
308 | NHD | 0.421875 | 0.945205 |
309 | 3NZ | 0.421053 | 0.794872 |
310 | NPW | 0.420635 | 0.875 |
311 | 6IA | 0.420561 | 0.804878 |
312 | 5AD | 0.420455 | 0.736111 |
313 | 9JJ | 0.42 | 0.875 |
314 | ETB | 0.419847 | 0.802326 |
315 | OZP | 0.418033 | 0.78481 |
316 | NAP | 0.41791 | 0.958904 |
317 | NAD CJ3 | 0.417808 | 0.823529 |
318 | FNK | 0.417808 | 0.795455 |
319 | C2R | 0.416667 | 0.891892 |
320 | AMZ | 0.416667 | 0.878378 |
321 | FA9 | 0.415584 | 0.853659 |
322 | K2W | 0.415254 | 0.731707 |
323 | NVA 2AD | 0.415094 | 0.75 |
324 | TAP | 0.414815 | 0.896104 |
325 | Z5A | 0.414815 | 0.811765 |
326 | EU9 | 0.414634 | 0.735632 |
327 | ODP | 0.414062 | 0.897436 |
328 | KY5 | 0.413793 | 0.7375 |
329 | KB1 | 0.413793 | 0.753086 |
330 | COA | 0.413534 | 0.793103 |
331 | 0T1 | 0.413534 | 0.793103 |
332 | SLU | 0.412214 | 0.802326 |
333 | NA0 | 0.411765 | 0.945946 |
334 | 71V | 0.411765 | 0.848101 |
335 | DA | 0.41 | 0.842105 |
336 | D5M | 0.41 | 0.842105 |
337 | SFD | 0.409722 | 0.744681 |
338 | 2VA | 0.409524 | 0.789474 |
339 | Q2V | 0.409449 | 0.753086 |
340 | NDP | 0.409449 | 0.909091 |
341 | FDA | 0.408451 | 0.823529 |
342 | NZQ | 0.40625 | 0.897436 |
343 | TXP | 0.40625 | 0.909091 |
344 | FAI | 0.405941 | 0.878378 |
345 | AAM | 0.405941 | 0.930556 |
346 | 6FA | 0.405594 | 0.853659 |
347 | SXZ | 0.405172 | 0.743902 |
348 | APU | 0.404762 | 0.907895 |
349 | CAO | 0.404412 | 0.766667 |
350 | 30N | 0.404412 | 0.726316 |
351 | AMX | 0.404412 | 0.802326 |
352 | COS | 0.404412 | 0.775281 |
353 | SCD | 0.404255 | 0.813953 |
354 | 7DD | 0.403846 | 0.917808 |
355 | BV8 | 0.403509 | 0.788889 |
356 | 62X | 0.403509 | 0.697674 |
357 | CA8 | 0.402778 | 0.721649 |
358 | KGA | 0.402778 | 0.736842 |
359 | BYC | 0.402778 | 0.795455 |
360 | Y3J | 0.402174 | 0.716216 |
361 | KY2 | 0.401786 | 0.702381 |
362 | N01 | 0.401515 | 0.945205 |
363 | SCO | 0.40146 | 0.813953 |
364 | CMX | 0.40146 | 0.813953 |
365 | PGS | 0.4 | 0.825 |
366 | 7D7 | 0.4 | 0.733333 |
367 | FAS | 0.4 | 0.864198 |
368 | FAD | 0.4 | 0.864198 |
369 | PO4 PO4 A A A A PO4 | 0.4 | 0.916667 |
370 | Q2P | 0.4 | 0.72619 |
371 | N37 | 0.4 | 0.792208 |
372 | 101 | 0.4 | 0.842105 |
373 | KGP | 0.4 | 0.704082 |
374 | YZS | 0.4 | 0.704082 |
375 | K15 | 0.4 | 0.714286 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 2y4o.bio1) has 25 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2y4o.bio1) has 25 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |