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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 59 families. | |||||
1 | 3U8X | - | ATP MG | n/a | n/a |
2 | 3SJH | - | LAR | C22 H31 N O5 S | C[C@H]/1CC.... |
3 | 3U9D | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 40 families. | |||||
1 | 4PL8 | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
2 | 3U9Z | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
3 | 3U8X | - | ATP MG | n/a | n/a |
4 | 3SJH | - | LAR | C22 H31 N O5 S | C[C@H]/1CC.... |
5 | 3U9D | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | ADP PO3 | 1 | 1 |
2 | ATP MG | 1 | 1 |
3 | ADP BEF | 0.888889 | 1 |
4 | ADP MG | 0.888889 | 1 |
5 | BEF ADP | 0.831169 | 0.971429 |
6 | ATP A | 0.813953 | 0.985507 |
7 | ATP A A A | 0.813953 | 0.985507 |
8 | ALF ADP | 0.8 | 0.918919 |
9 | VO4 ADP | 0.8 | 0.944444 |
10 | AMP MG | 0.756757 | 0.985294 |
11 | ANP MG | 0.756098 | 0.957747 |
12 | ADP BMA | 0.735632 | 0.944444 |
13 | A | 0.72 | 0.942857 |
14 | AMP | 0.72 | 0.942857 |
15 | A2D | 0.714286 | 0.943662 |
16 | 45A | 0.714286 | 0.916667 |
17 | ABM | 0.714286 | 0.916667 |
18 | GAP | 0.710843 | 0.944444 |
19 | ADP | 0.708861 | 0.943662 |
20 | APC MG | 0.707317 | 0.971429 |
21 | AR6 AR6 | 0.702128 | 0.971429 |
22 | PO4 PO4 A A A A PO4 | 0.696629 | 0.956522 |
23 | AP2 | 0.696203 | 0.905405 |
24 | BA3 | 0.696203 | 0.943662 |
25 | A12 | 0.696203 | 0.905405 |
26 | B4P | 0.6875 | 0.943662 |
27 | AP5 | 0.6875 | 0.943662 |
28 | AT4 | 0.679012 | 0.905405 |
29 | AN2 | 0.679012 | 0.930556 |
30 | APC | 0.674699 | 0.905405 |
31 | M33 | 0.670732 | 0.930556 |
32 | DAL AMP | 0.670455 | 0.957747 |
33 | SRA | 0.666667 | 0.891892 |
34 | HEJ | 0.662651 | 0.943662 |
35 | ACP | 0.662651 | 0.917808 |
36 | ATP | 0.662651 | 0.943662 |
37 | 50T | 0.662651 | 0.90411 |
38 | AR6 | 0.654762 | 0.943662 |
39 | APR | 0.654762 | 0.943662 |
40 | AQP | 0.654762 | 0.943662 |
41 | 5FA | 0.654762 | 0.943662 |
42 | AHZ | 0.653061 | 0.860759 |
43 | ACQ | 0.651163 | 0.917808 |
44 | AU1 | 0.650602 | 0.917808 |
45 | CA0 | 0.650602 | 0.917808 |
46 | ADX | 0.650602 | 0.848101 |
47 | AD9 | 0.647059 | 0.917808 |
48 | RBY | 0.647059 | 0.905405 |
49 | AGS | 0.647059 | 0.893333 |
50 | ADV | 0.647059 | 0.905405 |
51 | KG4 | 0.642857 | 0.917808 |
52 | PRX | 0.635294 | 0.891892 |
53 | ALF ADP 3PG | 0.633663 | 0.883117 |
54 | AF3 ADP 3PG | 0.633663 | 0.883117 |
55 | ANP | 0.632184 | 0.917808 |
56 | TAT | 0.632184 | 0.905405 |
57 | T99 | 0.632184 | 0.905405 |
58 | 6YZ | 0.629214 | 0.917808 |
59 | NAD IBO | 0.627451 | 0.971429 |
60 | NAD TDB | 0.627451 | 0.971429 |
61 | 4TA | 0.622642 | 0.85 |
62 | MYR AMP | 0.621053 | 0.860759 |
63 | ATF | 0.617977 | 0.905405 |
64 | LMS | 0.6125 | 0.825 |
65 | 5AL | 0.606742 | 0.930556 |
66 | 8LE | 0.606742 | 0.893333 |
67 | V2G | 0.606742 | 0.87013 |
68 | HQG | 0.604396 | 0.930556 |
69 | SON | 0.6 | 0.905405 |
70 | MAP | 0.597826 | 0.893333 |
71 | A22 | 0.597826 | 0.930556 |
72 | AMP DBH | 0.59596 | 0.917808 |
73 | 8LH | 0.593407 | 0.905405 |
74 | SRP | 0.593407 | 0.905405 |
75 | AMP NAD | 0.592593 | 0.957747 |
76 | 9X8 | 0.589474 | 0.893333 |
77 | 5N5 | 0.586667 | 0.816901 |
78 | ADQ | 0.585106 | 0.917808 |
79 | A1R | 0.585106 | 0.881579 |
80 | A3R | 0.585106 | 0.881579 |
81 | ARG AMP | 0.584158 | 0.85 |
82 | ADN | 0.581081 | 0.842857 |
83 | XYA | 0.581081 | 0.842857 |
84 | RAB | 0.581081 | 0.842857 |
85 | QA7 | 0.580645 | 0.893333 |
86 | 8LQ | 0.580645 | 0.905405 |
87 | JNT | 0.578947 | 0.917808 |
88 | AOC | 0.578313 | 0.84507 |
89 | NAJ PZO | 0.576577 | 0.894737 |
90 | OZV | 0.574468 | 0.943662 |
91 | 5SV | 0.574468 | 0.846154 |
92 | OOB | 0.574468 | 0.930556 |
93 | 8QN | 0.574468 | 0.930556 |
94 | 25A | 0.574468 | 0.943662 |
95 | 9ZD | 0.574468 | 0.881579 |
96 | 9ZA | 0.574468 | 0.881579 |
97 | Z5A | 0.573913 | 0.819277 |
98 | OAD | 0.572917 | 0.917808 |
99 | NAJ PYZ | 0.570175 | 0.85 |
100 | 5AS | 0.569767 | 0.776471 |
101 | AMO | 0.568421 | 0.905405 |
102 | 4AD | 0.568421 | 0.918919 |
103 | PAJ | 0.568421 | 0.858974 |
104 | LPA AMP | 0.567308 | 0.860759 |
105 | NAD | 0.563636 | 0.957747 |
106 | DLL | 0.5625 | 0.930556 |
107 | AHX | 0.5625 | 0.87013 |
108 | 00A | 0.5625 | 0.881579 |
109 | BIS | 0.561224 | 0.881579 |
110 | 3OD | 0.561224 | 0.917808 |
111 | A4D | 0.558442 | 0.816901 |
112 | 5CD | 0.558442 | 0.828571 |
113 | 3UK | 0.556701 | 0.917808 |
114 | 25L | 0.555556 | 0.930556 |
115 | A3D | 0.553571 | 0.944444 |
116 | 7MD | 0.553398 | 0.8375 |
117 | AFH | 0.553398 | 0.858974 |
118 | WAQ | 0.55102 | 0.881579 |
119 | B5V | 0.55102 | 0.905405 |
120 | LAD | 0.55102 | 0.858974 |
121 | PR8 | 0.55102 | 0.848101 |
122 | H1Q | 0.550562 | 0.929577 |
123 | 9SN | 0.55 | 0.87013 |
124 | GTP MG | 0.547368 | 0.905405 |
125 | 1ZZ | 0.545455 | 0.8375 |
126 | JB6 | 0.545455 | 0.881579 |
127 | ME8 | 0.545455 | 0.8375 |
128 | TXA | 0.545455 | 0.905405 |
129 | PTJ | 0.545455 | 0.87013 |
130 | FYA | 0.545455 | 0.90411 |
131 | NB8 | 0.545455 | 0.87013 |
132 | KMQ | 0.544554 | 0.905405 |
133 | EP4 | 0.5375 | 0.773333 |
134 | 7D5 | 0.536585 | 0.851351 |
135 | NAE | 0.534483 | 0.918919 |
136 | G5A | 0.532609 | 0.776471 |
137 | A5A | 0.531915 | 0.804878 |
138 | M2T | 0.530864 | 0.776316 |
139 | DTA | 0.530864 | 0.808219 |
140 | 3DH | 0.53012 | 0.794521 |
141 | NAQ | 0.529915 | 0.894737 |
142 | B5Y | 0.529412 | 0.893333 |
143 | B5M | 0.529412 | 0.893333 |
144 | FA5 | 0.529412 | 0.905405 |
145 | G3A | 0.528846 | 0.87013 |
146 | 7D3 | 0.528736 | 0.853333 |
147 | ZID | 0.525424 | 0.944444 |
148 | LEU LMS | 0.525253 | 0.767442 |
149 | MTA | 0.52439 | 0.794521 |
150 | XAH | 0.524272 | 0.8375 |
151 | G5P | 0.52381 | 0.87013 |
152 | A3P | 0.522727 | 0.942857 |
153 | PAP | 0.521739 | 0.929577 |
154 | 4UV | 0.519231 | 0.893333 |
155 | GTA | 0.518868 | 0.860759 |
156 | DQV | 0.518868 | 0.930556 |
157 | TAD | 0.518868 | 0.858974 |
158 | NAX | 0.518519 | 0.848101 |
159 | NAI | 0.518519 | 0.881579 |
160 | TSB | 0.515464 | 0.795181 |
161 | TXE | 0.513761 | 0.881579 |
162 | 6RE | 0.511628 | 0.779221 |
163 | 2A5 | 0.51087 | 0.866667 |
164 | SSA | 0.510417 | 0.776471 |
165 | GA7 | 0.509434 | 0.88 |
166 | 4UU | 0.509434 | 0.893333 |
167 | 48N | 0.509259 | 0.87013 |
168 | YLP | 0.509259 | 0.817073 |
169 | 4TC | 0.509091 | 0.87013 |
170 | AP0 | 0.509091 | 0.87013 |
171 | 3AM | 0.505882 | 0.901408 |
172 | A2P | 0.505618 | 0.928571 |
173 | 7D4 | 0.505495 | 0.853333 |
174 | ATR | 0.505376 | 0.915493 |
175 | VMS | 0.505155 | 0.785714 |
176 | 52H | 0.505155 | 0.776471 |
177 | 54H | 0.505155 | 0.785714 |
178 | DSZ | 0.50505 | 0.776471 |
179 | UP5 | 0.504587 | 0.893333 |
180 | DND | 0.504587 | 0.931507 |
181 | TXD | 0.504587 | 0.881579 |
182 | 6V0 | 0.504587 | 0.87013 |
183 | ZAS | 0.5 | 0.810811 |
184 | J7C | 0.5 | 0.766234 |
185 | A3N | 0.5 | 0.783784 |
186 | LAQ | 0.5 | 0.8375 |
187 | OMR | 0.5 | 0.82716 |
188 | 5CA | 0.5 | 0.776471 |
189 | NDE | 0.5 | 0.931507 |
190 | 8X1 | 0.5 | 0.75 |
191 | 53H | 0.5 | 0.776471 |
192 | N01 | 0.495726 | 0.957747 |
193 | NMN AMP PO4 | 0.495652 | 0.918919 |
194 | ADJ | 0.495575 | 0.82716 |
195 | 139 | 0.495575 | 0.848101 |
196 | 7MC | 0.495495 | 0.817073 |
197 | L3W | 0.495495 | 0.905405 |
198 | YLB | 0.495495 | 0.817073 |
199 | S4M | 0.494382 | 0.702381 |
200 | NDC | 0.492063 | 0.894737 |
201 | A4P | 0.491071 | 0.797619 |
202 | 4UW | 0.490909 | 0.858974 |
203 | P5A | 0.490196 | 0.741573 |
204 | ENQ | 0.490196 | 0.942857 |
205 | LSS | 0.49 | 0.758621 |
206 | NSS | 0.49 | 0.797619 |
207 | MAO | 0.488889 | 0.756098 |
208 | DSH | 0.488636 | 0.74359 |
209 | NAD BBN | 0.48855 | 0.839506 |
210 | F2R | 0.486957 | 0.817073 |
211 | TYM | 0.486486 | 0.905405 |
212 | 9K8 | 0.485437 | 0.730337 |
213 | NVA LMS | 0.485149 | 0.770115 |
214 | O02 | 0.484211 | 0.87013 |
215 | 5X8 | 0.483871 | 0.783784 |
216 | IMO | 0.483146 | 0.901408 |
217 | T5A | 0.482456 | 0.817073 |
218 | YLC | 0.482143 | 0.8375 |
219 | UPA | 0.482143 | 0.881579 |
220 | NWW | 0.481481 | 0.757143 |
221 | NAD CJ3 | 0.481203 | 0.809524 |
222 | V3L | 0.479167 | 0.943662 |
223 | CNA | 0.478261 | 0.931507 |
224 | 6MZ | 0.477778 | 0.902778 |
225 | GJV | 0.477778 | 0.769231 |
226 | 2AM | 0.476744 | 0.888889 |
227 | GSU | 0.475728 | 0.776471 |
228 | KAA | 0.475728 | 0.75 |
229 | A2R | 0.474747 | 0.930556 |
230 | FAD NBT | 0.474453 | 0.747253 |
231 | 5AD | 0.474359 | 0.768116 |
232 | PPS | 0.474227 | 0.825 |
233 | SA8 | 0.473684 | 0.725 |
234 | IOT | 0.473684 | 0.807229 |
235 | ITT | 0.473118 | 0.888889 |
236 | 8PZ | 0.471698 | 0.776471 |
237 | COD | 0.470085 | 0.788235 |
238 | YLA | 0.469565 | 0.817073 |
239 | AV2 | 0.469388 | 0.864865 |
240 | SFG | 0.468085 | 0.77027 |
241 | B1U | 0.46729 | 0.752809 |
242 | YSA | 0.46729 | 0.776471 |
243 | CNV FAD | 0.467153 | 0.790698 |
244 | DZD | 0.466102 | 0.858974 |
245 | AYB | 0.465517 | 0.807229 |
246 | SAM | 0.463918 | 0.728395 |
247 | A7D | 0.462366 | 0.797297 |
248 | 80F | 0.462185 | 0.817073 |
249 | FAD CNX | 0.460993 | 0.723404 |
250 | OVE | 0.460674 | 0.853333 |
251 | GDP BEF | 0.46 | 0.881579 |
252 | 6AD | 0.459184 | 0.858974 |
253 | BTX | 0.457627 | 0.817073 |
254 | MHZ | 0.457447 | 0.694118 |
255 | 71V | 0.456522 | 0.857143 |
256 | A3G | 0.455556 | 0.797297 |
257 | COA FLC | 0.455285 | 0.809524 |
258 | DAL FAD PER | 0.454545 | 0.764045 |
259 | BT5 | 0.453782 | 0.807229 |
260 | 6C6 | 0.453608 | 0.855263 |
261 | SAI | 0.453608 | 0.753247 |
262 | JSQ | 0.453608 | 0.893333 |
263 | SAH | 0.453608 | 0.763158 |
264 | HFD | 0.453608 | 0.893333 |
265 | CUU | 0.452632 | 0.916667 |
266 | GDP AF3 | 0.451923 | 0.8375 |
267 | Y3J | 0.451219 | 0.746479 |
268 | M24 | 0.45082 | 0.848101 |
269 | NAD NDT | 0.450704 | 0.723404 |
270 | 4YB | 0.45045 | 0.758621 |
271 | 7D7 | 0.45 | 0.763889 |
272 | SMM | 0.45 | 0.722892 |
273 | K3E | 0.449541 | 0.789474 |
274 | M7G A2M G | 0.448276 | 0.781609 |
275 | PAX | 0.448 | 0.82716 |
276 | P33 FDA | 0.447552 | 0.764045 |
277 | P6G FDA | 0.447552 | 0.790698 |
278 | NDP DTT | 0.446154 | 0.839506 |
279 | NO7 | 0.445545 | 0.88 |
280 | 7C5 | 0.445455 | 0.815789 |
281 | K3K | 0.444444 | 0.8 |
282 | EEM | 0.444444 | 0.728395 |
283 | A5D | 0.443299 | 0.808219 |
284 | KOY | 0.442478 | 0.824324 |
285 | ARU | 0.442308 | 0.8125 |
286 | NAJ | 0.440678 | 0.957747 |
287 | 38V | 0.44 | 0.8375 |
288 | NAP | 0.44 | 0.944444 |
289 | NEC | 0.43956 | 0.743243 |
290 | YLY | 0.439024 | 0.807229 |
291 | FAD T2C | 0.438356 | 0.747253 |
292 | NA7 | 0.438095 | 0.905405 |
293 | GDP ALF | 0.438095 | 0.8375 |
294 | DAT | 0.4375 | 0.853333 |
295 | QXP | 0.436893 | 0.741176 |
296 | GEK | 0.436893 | 0.779221 |
297 | TAP | 0.436508 | 0.906667 |
298 | FAD NBA | 0.436242 | 0.723404 |
299 | V47 | 0.435644 | 0.805556 |
300 | S7M | 0.435644 | 0.728395 |
301 | D4F | 0.435484 | 0.8375 |
302 | WSA | 0.434783 | 0.785714 |
303 | 6IA | 0.434343 | 0.8125 |
304 | 3AT | 0.434343 | 0.916667 |
305 | J4G | 0.433962 | 0.893333 |
306 | GTP 5GP | 0.433628 | 0.918919 |
307 | NHD | 0.433333 | 0.930556 |
308 | EAD | 0.433071 | 0.848101 |
309 | NA0 | 0.433071 | 0.931507 |
310 | 0UM | 0.432692 | 0.716049 |
311 | AMZ | 0.431818 | 0.863014 |
312 | A3S | 0.431579 | 0.808219 |
313 | P1H | 0.430769 | 0.82716 |
314 | AAT | 0.43 | 0.725 |
315 | N0B | 0.428571 | 0.817073 |
316 | GDP 7MG | 0.428571 | 0.883117 |
317 | K2H | 0.428571 | 0.753247 |
318 | PGS | 0.427083 | 0.857143 |
319 | NWQ | 0.426966 | 0.736111 |
320 | 2SA | 0.425743 | 0.88 |
321 | A6D | 0.424528 | 0.7625 |
322 | QXG | 0.424528 | 0.732558 |
323 | APC G U | 0.424 | 0.857143 |
324 | D5M | 0.423913 | 0.851351 |
325 | N5O | 0.423913 | 0.76 |
326 | DA | 0.423913 | 0.851351 |
327 | AVV | 0.423077 | 0.87013 |
328 | A3T | 0.42268 | 0.819444 |
329 | 649 | 0.422414 | 0.741573 |
330 | NIA | 0.422222 | 0.820513 |
331 | K2K | 0.420561 | 0.734177 |
332 | R2V | 0.420561 | 0.741176 |
333 | DTP | 0.42 | 0.853333 |
334 | AAM | 0.419355 | 0.942857 |
335 | 8Q2 | 0.418803 | 0.75 |
336 | BUA COA | 0.41791 | 0.790698 |
337 | O05 | 0.416667 | 0.819277 |
338 | C2R | 0.41573 | 0.851351 |
339 | 62X | 0.415094 | 0.682353 |
340 | N5A | 0.414894 | 0.733333 |
341 | EO7 | 0.414894 | 0.785714 |
342 | NFD | 0.414634 | 0.906667 |
343 | LQJ | 0.414414 | 0.916667 |
344 | 128 | 0.413793 | 0.752941 |
345 | FB0 | 0.413534 | 0.761364 |
346 | GGZ | 0.413462 | 0.8 |
347 | KY2 | 0.413462 | 0.728395 |
348 | 101 | 0.413043 | 0.851351 |
349 | TM1 | 0.412844 | 0.771084 |
350 | 3AD | 0.411765 | 0.828571 |
351 | PLP AAD | 0.41129 | 0.770115 |
352 | K15 | 0.411215 | 0.698795 |
353 | 0WD | 0.409836 | 0.87013 |
354 | S8M | 0.409524 | 0.75641 |
355 | 6K6 | 0.409524 | 0.902778 |
356 | ALF 5GP | 0.407767 | 0.8375 |
357 | KY8 | 0.407407 | 0.746835 |
358 | FDA | 0.407407 | 0.788235 |
359 | AIR | 0.406977 | 0.873239 |
360 | KYB | 0.40566 | 0.728395 |
361 | NZQ | 0.404959 | 0.858974 |
362 | KL2 | 0.404494 | 0.810811 |
363 | 6FA | 0.404412 | 0.817073 |
364 | SXZ | 0.40367 | 0.728395 |
365 | 6NA COA | 0.402878 | 0.772727 |
366 | ACK | 0.402174 | 0.859155 |
367 | QQY | 0.402174 | 0.813333 |
368 | 7DD | 0.402062 | 0.929577 |
369 | N6P | 0.401869 | 0.887324 |
370 | K3H | 0.401786 | 0.746835 |
371 | NJP | 0.401639 | 0.918919 |
372 | 9JJ | 0.4 | 0.860759 |
373 | SLU | 0.4 | 0.767442 |
374 | KB1 | 0.4 | 0.716049 |
375 | HMG | 0.4 | 0.790698 |
376 | KY5 | 0.4 | 0.74359 |
This union binding pocket(no: 1) in the query (biounit: 3sjh.bio1) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 4CZG | QH3 | 14.8148 |
2 | 4CZG | ADP | 14.8148 |
This union binding pocket(no: 2) in the query (biounit: 3sjh.bio1) has 30 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |