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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
- Family 90% : .ZIP | .CSV
- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 271 families. | |||||
1 | 3KXW | - | 1ZZ | C22 H36 N5 O8 P | CCCCCCCCCC.... |
2 | 3LNV | - | 1ZZ | C22 H36 N5 O8 P | CCCCCCCCCC.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 223 families. | |||||
1 | 3KXW | - | 1ZZ | C22 H36 N5 O8 P | CCCCCCCCCC.... |
2 | 3LNV | - | 1ZZ | C22 H36 N5 O8 P | CCCCCCCCCC.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 1ZZ | 1 | 1 |
2 | WAQ | 0.853933 | 0.925 |
3 | MYR AMP | 0.795699 | 0.975 |
4 | 5SV | 0.731183 | 0.962025 |
5 | OMR | 0.728155 | 0.9875 |
6 | LAQ | 0.715686 | 0.880952 |
7 | CA0 | 0.704545 | 0.864198 |
8 | 8LQ | 0.702128 | 0.9 |
9 | KG4 | 0.696629 | 0.864198 |
10 | QA7 | 0.684211 | 0.888889 |
11 | 5AL | 0.677419 | 0.898734 |
12 | 8LE | 0.677419 | 0.865854 |
13 | PRX | 0.67033 | 0.911392 |
14 | A2D | 0.666667 | 0.839506 |
15 | DLL | 0.663265 | 0.875 |
16 | 8LH | 0.663158 | 0.9 |
17 | BT5 | 0.660714 | 0.850575 |
18 | OOB | 0.659794 | 0.875 |
19 | BA3 | 0.651685 | 0.839506 |
20 | M33 | 0.648352 | 0.851852 |
21 | 00A | 0.646465 | 0.833333 |
22 | SRP | 0.645833 | 0.853659 |
23 | AP5 | 0.644444 | 0.839506 |
24 | B4P | 0.644444 | 0.839506 |
25 | ADP | 0.644444 | 0.839506 |
26 | 8QN | 0.642857 | 0.898734 |
27 | AT4 | 0.637363 | 0.809524 |
28 | AN2 | 0.637363 | 0.829268 |
29 | PAJ | 0.636364 | 0.857143 |
30 | 4AD | 0.636364 | 0.843373 |
31 | AMP | 0.632184 | 0.8375 |
32 | A | 0.632184 | 0.8375 |
33 | ADX | 0.630435 | 0.764045 |
34 | ABM | 0.629214 | 0.8625 |
35 | 45A | 0.629214 | 0.8625 |
36 | ME8 | 0.627451 | 0.880952 |
37 | TXA | 0.627451 | 0.876543 |
38 | B5Y | 0.625 | 0.865854 |
39 | 3UK | 0.623762 | 0.864198 |
40 | ATP | 0.623656 | 0.839506 |
41 | ACP | 0.623656 | 0.819277 |
42 | HEJ | 0.623656 | 0.839506 |
43 | 50T | 0.623656 | 0.807229 |
44 | AMO | 0.62 | 0.853659 |
45 | LAD | 0.617647 | 0.879518 |
46 | B5V | 0.617647 | 0.853659 |
47 | APR | 0.617021 | 0.8625 |
48 | AR6 | 0.617021 | 0.8625 |
49 | 5FA | 0.617021 | 0.839506 |
50 | AQP | 0.617021 | 0.839506 |
51 | ANP | 0.614583 | 0.819277 |
52 | PTJ | 0.61165 | 0.86747 |
53 | AD9 | 0.610526 | 0.819277 |
54 | AGS | 0.610526 | 0.8 |
55 | B5M | 0.609524 | 0.865854 |
56 | OAD | 0.607843 | 0.8875 |
57 | AMP MG | 0.606742 | 0.825 |
58 | SON | 0.602151 | 0.876543 |
59 | ATF | 0.602041 | 0.809524 |
60 | PR8 | 0.601942 | 0.891566 |
61 | 9SN | 0.6 | 0.823529 |
62 | YLB | 0.598214 | 0.927711 |
63 | 4UV | 0.598131 | 0.843373 |
64 | ACQ | 0.597938 | 0.819277 |
65 | GAP | 0.597938 | 0.841463 |
66 | A12 | 0.597826 | 0.831325 |
67 | AP2 | 0.597826 | 0.831325 |
68 | NB8 | 0.596154 | 0.823529 |
69 | FA5 | 0.59434 | 0.853659 |
70 | V2G | 0.591837 | 0.845238 |
71 | SRA | 0.588889 | 0.797619 |
72 | IOT | 0.587719 | 0.850575 |
73 | 4UU | 0.587156 | 0.843373 |
74 | YLP | 0.585586 | 0.927711 |
75 | ADP MG | 0.585106 | 0.8375 |
76 | ADP BEF | 0.585106 | 0.8375 |
77 | A22 | 0.584158 | 0.829268 |
78 | AHX | 0.582524 | 0.802326 |
79 | BIS | 0.580952 | 0.833333 |
80 | 3OD | 0.580952 | 0.8875 |
81 | 4UW | 0.580357 | 0.857143 |
82 | 6YZ | 0.58 | 0.819277 |
83 | AU1 | 0.578947 | 0.819277 |
84 | OZV | 0.578431 | 0.839506 |
85 | 25A | 0.578431 | 0.839506 |
86 | 9X8 | 0.576923 | 0.843373 |
87 | HQG | 0.574257 | 0.851852 |
88 | A3R | 0.572816 | 0.833333 |
89 | LPA AMP | 0.571429 | 0.858824 |
90 | DAL AMP | 0.568627 | 0.875 |
91 | APC | 0.56701 | 0.831325 |
92 | FYA | 0.566038 | 0.829268 |
93 | T99 | 0.565657 | 0.809524 |
94 | TAT | 0.565657 | 0.809524 |
95 | AYB | 0.564103 | 0.916667 |
96 | 9ZA | 0.563107 | 0.855422 |
97 | 9ZD | 0.563107 | 0.855422 |
98 | TYM | 0.561404 | 0.853659 |
99 | APC MG | 0.561224 | 0.839506 |
100 | ADV | 0.561224 | 0.853659 |
101 | RBY | 0.561224 | 0.853659 |
102 | XAH | 0.559633 | 0.837209 |
103 | A1R | 0.557692 | 0.833333 |
104 | ADQ | 0.557692 | 0.841463 |
105 | YLC | 0.556522 | 0.880952 |
106 | JNT | 0.552381 | 0.841463 |
107 | KMQ | 0.550459 | 0.876543 |
108 | 25L | 0.546296 | 0.829268 |
109 | ATP MG | 0.545455 | 0.8375 |
110 | ADP PO3 | 0.545455 | 0.8375 |
111 | BEF ADP | 0.54 | 0.817073 |
112 | DQV | 0.539823 | 0.851852 |
113 | GTA | 0.539823 | 0.795455 |
114 | ANP MG | 0.539216 | 0.829268 |
115 | ALF ADP | 0.539216 | 0.77907 |
116 | NAI | 0.53913 | 0.811765 |
117 | DND | 0.53913 | 0.853659 |
118 | MAP | 0.538462 | 0.8 |
119 | CNA | 0.537815 | 0.831325 |
120 | G3A | 0.535714 | 0.802326 |
121 | AOC | 0.531915 | 0.731707 |
122 | G5P | 0.530973 | 0.802326 |
123 | 48N | 0.530435 | 0.86747 |
124 | T5A | 0.529412 | 0.818182 |
125 | YLA | 0.529412 | 0.860465 |
126 | BTX | 0.528926 | 0.83908 |
127 | LMS | 0.526882 | 0.744444 |
128 | NAX | 0.525862 | 0.804598 |
129 | 5AS | 0.525773 | 0.76087 |
130 | VO4 ADP | 0.524272 | 0.819277 |
131 | TXE | 0.521368 | 0.833333 |
132 | F2R | 0.520661 | 0.818182 |
133 | YLY | 0.52 | 0.939759 |
134 | GA7 | 0.517544 | 0.831325 |
135 | 7MD | 0.517544 | 0.858824 |
136 | ARG AMP | 0.517544 | 0.806818 |
137 | L3W | 0.516949 | 0.831325 |
138 | 7MC | 0.516949 | 0.882353 |
139 | COD | 0.516393 | 0.852273 |
140 | NAD | 0.516393 | 0.851852 |
141 | 6V0 | 0.512821 | 0.802326 |
142 | TXD | 0.512821 | 0.833333 |
143 | UP5 | 0.512821 | 0.821429 |
144 | NAQ | 0.511811 | 0.86747 |
145 | A3D | 0.508065 | 0.864198 |
146 | AFH | 0.504348 | 0.793103 |
147 | UPA | 0.504202 | 0.811765 |
148 | AP0 | 0.504202 | 0.823529 |
149 | 4TC | 0.504202 | 0.802326 |
150 | 139 | 0.504132 | 0.825581 |
151 | D4F | 0.503937 | 0.795455 |
152 | AMP DBH | 0.5 | 0.797619 |
153 | A4P | 0.5 | 0.741935 |
154 | TAD | 0.5 | 0.813953 |
155 | M24 | 0.496063 | 0.804598 |
156 | 9K8 | 0.495495 | 0.71875 |
157 | NVA LMS | 0.495413 | 0.774194 |
158 | TSB | 0.495327 | 0.758242 |
159 | A5A | 0.495238 | 0.766667 |
160 | G5A | 0.495146 | 0.723404 |
161 | H1Q | 0.49505 | 0.804878 |
162 | 5CD | 0.494382 | 0.716049 |
163 | RAB | 0.494253 | 0.728395 |
164 | XYA | 0.494253 | 0.728395 |
165 | ADN | 0.494253 | 0.728395 |
166 | NAD TDB | 0.491667 | 0.839506 |
167 | NAD IBO | 0.491667 | 0.839506 |
168 | LEU LMS | 0.490909 | 0.734043 |
169 | ADP BMA | 0.490909 | 0.819277 |
170 | K15 | 0.490909 | 0.831325 |
171 | 3DH | 0.489362 | 0.753086 |
172 | DZD | 0.488 | 0.835294 |
173 | 54H | 0.485981 | 0.75 |
174 | 52H | 0.485981 | 0.741935 |
175 | VMS | 0.485981 | 0.75 |
176 | ATR | 0.485437 | 0.814815 |
177 | PAP | 0.485437 | 0.82716 |
178 | P1H | 0.485075 | 0.848837 |
179 | A3P | 0.484848 | 0.8375 |
180 | N0B | 0.484615 | 0.860465 |
181 | 3AM | 0.484211 | 0.802469 |
182 | 80F | 0.484127 | 0.777778 |
183 | 5N5 | 0.483146 | 0.707317 |
184 | AHZ | 0.483051 | 0.858824 |
185 | ATP A | 0.482456 | 0.82716 |
186 | ATP A A A | 0.482456 | 0.82716 |
187 | JB6 | 0.482143 | 0.833333 |
188 | ARU | 0.481818 | 0.793103 |
189 | 53H | 0.481481 | 0.741935 |
190 | NAE | 0.48062 | 0.865854 |
191 | AR6 AR6 | 0.478632 | 0.839506 |
192 | EP4 | 0.478261 | 0.714286 |
193 | A4D | 0.477778 | 0.707317 |
194 | EAD | 0.477273 | 0.825581 |
195 | SSA | 0.476636 | 0.723404 |
196 | 2A5 | 0.475728 | 0.819277 |
197 | DTA | 0.473118 | 0.722892 |
198 | M2T | 0.473118 | 0.697674 |
199 | NSS | 0.472727 | 0.723404 |
200 | LSS | 0.472727 | 0.744681 |
201 | A2R | 0.472222 | 0.851852 |
202 | PPS | 0.471698 | 0.744444 |
203 | 649 | 0.471074 | 0.765957 |
204 | ITT | 0.470588 | 0.792683 |
205 | A2P | 0.47 | 0.825 |
206 | MYA | 0.468531 | 0.866667 |
207 | UCC | 0.468531 | 0.866667 |
208 | ST9 | 0.468531 | 0.866667 |
209 | 5F9 | 0.468531 | 0.866667 |
210 | MFK | 0.468531 | 0.866667 |
211 | DCC | 0.468531 | 0.866667 |
212 | AMP NAD | 0.468254 | 0.851852 |
213 | MTA | 0.468085 | 0.731707 |
214 | 8X1 | 0.46789 | 0.71875 |
215 | 5CA | 0.46789 | 0.723404 |
216 | ADJ | 0.467742 | 0.827586 |
217 | YSA | 0.465517 | 0.723404 |
218 | J7C | 0.464646 | 0.689655 |
219 | 7D5 | 0.463158 | 0.783133 |
220 | ZID | 0.462121 | 0.841463 |
221 | CO8 | 0.461538 | 0.866667 |
222 | KAA | 0.460177 | 0.755319 |
223 | P5A | 0.460177 | 0.765957 |
224 | GSU | 0.460177 | 0.76087 |
225 | S4M | 0.46 | 0.75 |
226 | 6MZ | 0.46 | 0.82716 |
227 | 7D3 | 0.46 | 0.785714 |
228 | DSZ | 0.459459 | 0.741935 |
229 | 6RE | 0.459184 | 0.681818 |
230 | ALF ADP 3PG | 0.459016 | 0.793103 |
231 | AF3 ADP 3PG | 0.459016 | 0.793103 |
232 | NHM | 0.458904 | 0.866667 |
233 | UOQ | 0.458904 | 0.866667 |
234 | NHW | 0.458904 | 0.866667 |
235 | AAT | 0.457944 | 0.712644 |
236 | 6AD | 0.457944 | 0.793103 |
237 | 7C5 | 0.457627 | 0.752941 |
238 | 8PZ | 0.456897 | 0.723404 |
239 | 4TA | 0.456693 | 0.806818 |
240 | 7D4 | 0.456311 | 0.785714 |
241 | 0ET | 0.455172 | 0.866667 |
242 | NDE | 0.452555 | 0.831325 |
243 | 5X8 | 0.451923 | 0.722892 |
244 | 4YB | 0.45 | 0.744681 |
245 | KH3 | 0.45 | 0.821429 |
246 | V3L | 0.448598 | 0.8625 |
247 | J4G | 0.447368 | 0.865854 |
248 | 0T1 | 0.44697 | 0.863636 |
249 | 0UM | 0.446429 | 0.807229 |
250 | NAJ PZO | 0.446154 | 0.781609 |
251 | FB0 | 0.446043 | 0.865169 |
252 | NDC | 0.446043 | 0.890244 |
253 | NWW | 0.445652 | 0.675 |
254 | GJV | 0.445545 | 0.693182 |
255 | 0WD | 0.445312 | 0.802326 |
256 | SA8 | 0.443396 | 0.77381 |
257 | 2AM | 0.443299 | 0.792683 |
258 | KOY | 0.442623 | 0.780488 |
259 | MHZ | 0.442308 | 0.781609 |
260 | MAO | 0.441176 | 0.781609 |
261 | B1U | 0.440678 | 0.686869 |
262 | 38V | 0.440298 | 0.795455 |
263 | DSH | 0.44 | 0.729412 |
264 | NEC | 0.44 | 0.707317 |
265 | JSQ | 0.439252 | 0.8 |
266 | HFD | 0.439252 | 0.8 |
267 | O02 | 0.439252 | 0.802326 |
268 | NA7 | 0.438596 | 0.853659 |
269 | 5AD | 0.438202 | 0.683544 |
270 | SFG | 0.438095 | 0.753086 |
271 | NJP | 0.4375 | 0.821429 |
272 | HXC | 0.4375 | 0.866667 |
273 | Z5A | 0.437037 | 0.78022 |
274 | S7M | 0.436364 | 0.776471 |
275 | V47 | 0.436364 | 0.7625 |
276 | SMM | 0.436364 | 0.770115 |
277 | MRR | 0.436242 | 0.866667 |
278 | MRS | 0.436242 | 0.866667 |
279 | CAJ | 0.435714 | 0.886364 |
280 | IMO | 0.435644 | 0.802469 |
281 | A3N | 0.435644 | 0.682353 |
282 | WSA | 0.435484 | 0.731183 |
283 | PLM COA | 0.435374 | 0.855556 |
284 | DAO COA | 0.435374 | 0.855556 |
285 | EO3 COA | 0.435374 | 0.855556 |
286 | DCR COA | 0.435374 | 0.855556 |
287 | MYR COA | 0.435374 | 0.855556 |
288 | X90 COA | 0.435374 | 0.855556 |
289 | DKA COA | 0.435374 | 0.855556 |
290 | SAM | 0.435185 | 0.755814 |
291 | 6IA | 0.435185 | 0.813953 |
292 | ZAS | 0.434343 | 0.686047 |
293 | HYC | 0.433566 | 0.855422 |
294 | NDP | 0.433071 | 0.802326 |
295 | NAJ PYZ | 0.432836 | 0.747253 |
296 | NO7 | 0.432432 | 0.788235 |
297 | K3K | 0.432203 | 0.697674 |
298 | EEM | 0.431193 | 0.755814 |
299 | SFD | 0.430556 | 0.70297 |
300 | 8Z2 | 0.430464 | 0.857143 |
301 | OVE | 0.43 | 0.764706 |
302 | A5D | 0.429907 | 0.722892 |
303 | NVA 2AD | 0.429907 | 0.761905 |
304 | HDC | 0.42953 | 0.866667 |
305 | LQJ | 0.428571 | 0.817073 |
306 | ODP | 0.426357 | 0.793103 |
307 | SAH | 0.425926 | 0.746988 |
308 | SAI | 0.425926 | 0.738095 |
309 | A3G | 0.425743 | 0.714286 |
310 | K3E | 0.425 | 0.689655 |
311 | 6K6 | 0.424779 | 0.804878 |
312 | QXP | 0.424779 | 0.691489 |
313 | NAD BBN | 0.424658 | 0.758242 |
314 | DAT | 0.424528 | 0.807229 |
315 | CUU | 0.424528 | 0.817073 |
316 | DTP | 0.422018 | 0.807229 |
317 | 3AT | 0.422018 | 0.817073 |
318 | NPW | 0.421875 | 0.795455 |
319 | DCA | 0.421053 | 0.863636 |
320 | 9JJ | 0.421053 | 0.775281 |
321 | 8Q2 | 0.420635 | 0.701031 |
322 | FDA | 0.41958 | 0.771739 |
323 | NAP | 0.419118 | 0.841463 |
324 | FNK | 0.418919 | 0.765957 |
325 | NZQ | 0.418605 | 0.793103 |
326 | 62X | 0.417391 | 0.790698 |
327 | 6FA | 0.416667 | 0.797753 |
328 | AMX | 0.416058 | 0.852273 |
329 | COA | 0.414815 | 0.842697 |
330 | AV2 | 0.414414 | 0.77381 |
331 | 2SA | 0.414414 | 0.831325 |
332 | NWQ | 0.414141 | 0.679012 |
333 | QXG | 0.413793 | 0.684211 |
334 | CS8 | 0.413333 | 0.857143 |
335 | NA0 | 0.413043 | 0.853659 |
336 | CMX | 0.413043 | 0.863636 |
337 | VRT | 0.412844 | 0.771084 |
338 | GEK | 0.412281 | 0.741176 |
339 | AVV | 0.412281 | 0.823529 |
340 | NHD | 0.412214 | 0.829268 |
341 | A3T | 0.411215 | 0.753086 |
342 | FAD | 0.410959 | 0.806818 |
343 | FAS | 0.410959 | 0.806818 |
344 | ETB | 0.410448 | 0.831461 |
345 | R2V | 0.410256 | 0.691489 |
346 | F2N | 0.410256 | 0.774194 |
347 | NAD CJ3 | 0.409396 | 0.734043 |
348 | NMX | 0.408451 | 0.78125 |
349 | TXP | 0.407692 | 0.823529 |
350 | HAX | 0.407143 | 0.824176 |
351 | K2R | 0.40678 | 0.829268 |
352 | APU | 0.40625 | 0.8 |
353 | 30N | 0.405797 | 0.773196 |
354 | CAO | 0.405797 | 0.815217 |
355 | J7V | 0.405797 | 0.811111 |
356 | COS | 0.405797 | 0.824176 |
357 | A3S | 0.40566 | 0.722892 |
358 | A7D | 0.40566 | 0.73494 |
359 | 7DD | 0.40566 | 0.82716 |
360 | SCD | 0.405594 | 0.863636 |
361 | 6NA COA | 0.405405 | 0.855556 |
362 | AMZ | 0.40404 | 0.792683 |
363 | C2R | 0.40404 | 0.804878 |
364 | RFL | 0.403974 | 0.78022 |
365 | NAD NDT | 0.403846 | 0.679612 |
366 | N5A | 0.403846 | 0.678571 |
367 | FAD CNX | 0.403846 | 0.802083 |
368 | GGZ | 0.403509 | 0.722222 |
369 | KY2 | 0.403509 | 0.715909 |
370 | KB1 | 0.403361 | 0.704545 |
371 | KXW | 0.403226 | 0.752941 |
372 | N01 | 0.402985 | 0.851852 |
373 | SCO | 0.402878 | 0.863636 |
374 | BCO | 0.402778 | 0.844444 |
375 | 7D7 | 0.402174 | 0.682927 |
376 | PGS | 0.401869 | 0.75 |
377 | A6D | 0.401709 | 0.67033 |
378 | PO4 PO4 A A A A PO4 | 0.401709 | 0.802469 |
379 | V1N | 0.401639 | 0.8625 |
380 | CA6 | 0.401408 | 0.785714 |
381 | SOP | 0.401408 | 0.844444 |
382 | MCD | 0.401408 | 0.886364 |
383 | ACO | 0.4 | 0.855556 |
384 | 6C6 | 0.4 | 0.853659 |
385 | SO8 | 0.4 | 0.768293 |
386 | 62F | 0.4 | 0.795455 |
387 | 71V | 0.4 | 0.770115 |
388 | FAM | 0.4 | 0.824176 |
389 | FCX | 0.4 | 0.835165 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 3kxw.bio1) has 28 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |