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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 1 families. | |||||
1 | 3CW9 | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
2 | 1T5D | - | 174 | C7 H5 Cl O2 | c1cc(ccc1C.... |
3 | 2QVZ | - | 3BZ | C7 H5 Cl O2 | c1cc(cc(c1.... |
4 | 3CW8 | - | 00A | C17 H17 Cl N5 O8 P | c1cc(ccc1C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 3CW9 | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
2 | 1T5D | - | 174 | C7 H5 Cl O2 | c1cc(ccc1C.... |
3 | 2QVZ | - | 3BZ | C7 H5 Cl O2 | c1cc(cc(c1.... |
4 | 3CW8 | - | 00A | C17 H17 Cl N5 O8 P | c1cc(ccc1C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 00A | 1 | 1 |
2 | OOB | 0.816092 | 0.946667 |
3 | CA0 | 0.729412 | 0.909091 |
4 | KG4 | 0.72093 | 0.909091 |
5 | A2D | 0.710843 | 0.907895 |
6 | 3UK | 0.694737 | 0.934211 |
7 | BA3 | 0.694118 | 0.907895 |
8 | B5V | 0.6875 | 0.922078 |
9 | AP5 | 0.686047 | 0.907895 |
10 | ADP | 0.686047 | 0.883117 |
11 | B4P | 0.686047 | 0.907895 |
12 | 5AL | 0.681319 | 0.921053 |
13 | 8LE | 0.681319 | 0.886076 |
14 | AN2 | 0.678161 | 0.871795 |
15 | AT4 | 0.678161 | 0.85 |
16 | M33 | 0.670455 | 0.871795 |
17 | 8LQ | 0.670213 | 0.897436 |
18 | AD9 | 0.666667 | 0.860759 |
19 | 9SN | 0.666667 | 0.961039 |
20 | SRP | 0.666667 | 0.897436 |
21 | 8LH | 0.666667 | 0.897436 |
22 | ACP | 0.662921 | 0.860759 |
23 | HEJ | 0.662921 | 0.883117 |
24 | ATP | 0.662921 | 0.883117 |
25 | B5M | 0.66 | 0.910256 |
26 | B5Y | 0.66 | 0.910256 |
27 | AQP | 0.655556 | 0.883117 |
28 | AR6 | 0.655556 | 0.907895 |
29 | 5FA | 0.655556 | 0.883117 |
30 | APR | 0.655556 | 0.907895 |
31 | AMP | 0.654762 | 0.881579 |
32 | A | 0.654762 | 0.881579 |
33 | WAQ | 0.653061 | 0.875 |
34 | ADX | 0.651685 | 0.8 |
35 | DLL | 0.649485 | 0.946667 |
36 | SAP | 0.648352 | 0.839506 |
37 | AGS | 0.648352 | 0.839506 |
38 | 1ZZ | 0.646465 | 0.833333 |
39 | 8QN | 0.645833 | 0.921053 |
40 | 50T | 0.644444 | 0.848101 |
41 | PAJ | 0.639175 | 0.853659 |
42 | 4AD | 0.639175 | 0.886076 |
43 | AMO | 0.639175 | 0.897436 |
44 | PRX | 0.637363 | 0.8375 |
45 | ACQ | 0.634409 | 0.860759 |
46 | ANP | 0.634409 | 0.860759 |
47 | ABM | 0.632184 | 0.858974 |
48 | 45A | 0.632184 | 0.858974 |
49 | TXA | 0.63 | 0.897436 |
50 | SRA | 0.627907 | 0.8375 |
51 | HQG | 0.625 | 0.896104 |
52 | ATF | 0.621053 | 0.897436 |
53 | LAD | 0.62 | 0.853659 |
54 | PR8 | 0.62 | 0.843373 |
55 | A22 | 0.618557 | 0.896104 |
56 | A12 | 0.617977 | 0.85 |
57 | AP2 | 0.617977 | 0.85 |
58 | AHX | 0.616162 | 0.841463 |
59 | 6YZ | 0.614583 | 0.860759 |
60 | ME8 | 0.613861 | 0.833333 |
61 | PTJ | 0.613861 | 0.864198 |
62 | NB8 | 0.613861 | 0.864198 |
63 | YAP | 0.61165 | 0.910256 |
64 | FA5 | 0.61165 | 0.922078 |
65 | OAD | 0.61 | 0.909091 |
66 | ADQ | 0.606061 | 0.909091 |
67 | GAP | 0.6 | 0.884615 |
68 | 3OD | 0.598039 | 0.909091 |
69 | AU1 | 0.597826 | 0.860759 |
70 | 9X8 | 0.594059 | 0.8625 |
71 | LAQ | 0.592593 | 0.833333 |
72 | A3R | 0.59 | 0.829268 |
73 | A1R | 0.59 | 0.829268 |
74 | ADP MG | 0.586957 | 0.881579 |
75 | SON | 0.586957 | 0.897436 |
76 | APC | 0.585106 | 0.85 |
77 | 4UV | 0.584906 | 0.910256 |
78 | M24 | 0.584746 | 0.936709 |
79 | T99 | 0.583333 | 0.85 |
80 | TAT | 0.583333 | 0.85 |
81 | DQV | 0.583333 | 0.921053 |
82 | OZV | 0.58 | 0.883117 |
83 | 25A | 0.58 | 0.907895 |
84 | 5SV | 0.58 | 0.797619 |
85 | APC MG | 0.578947 | 0.858974 |
86 | ADV | 0.578947 | 0.873418 |
87 | RBY | 0.578947 | 0.873418 |
88 | 4UU | 0.574074 | 0.910256 |
89 | DAL AMP | 0.57 | 0.896104 |
90 | DND | 0.567568 | 0.922078 |
91 | NXX | 0.567568 | 0.922078 |
92 | 4UW | 0.567568 | 0.876543 |
93 | BIS | 0.567308 | 0.875 |
94 | FYA | 0.567308 | 0.871795 |
95 | 9ZD | 0.564356 | 0.875 |
96 | 9ZA | 0.564356 | 0.875 |
97 | ATP MG | 0.5625 | 0.881579 |
98 | TYM | 0.5625 | 0.922078 |
99 | ADP PO3 | 0.5625 | 0.881579 |
100 | 25L | 0.561905 | 0.896104 |
101 | IOT | 0.561404 | 0.804598 |
102 | XAH | 0.560748 | 0.811765 |
103 | YLP | 0.558559 | 0.813953 |
104 | 6V0 | 0.553571 | 0.864198 |
105 | NAX | 0.553571 | 0.843373 |
106 | G3A | 0.550459 | 0.864198 |
107 | OMR | 0.548673 | 0.823529 |
108 | MYR AMP | 0.54717 | 0.811765 |
109 | G5P | 0.545455 | 0.864198 |
110 | 48N | 0.544643 | 0.864198 |
111 | LMS | 0.544444 | 0.77907 |
112 | YLB | 0.54386 | 0.813953 |
113 | YLC | 0.54386 | 0.833333 |
114 | YLA | 0.543103 | 0.813953 |
115 | ADP ALF | 0.54 | 0.8625 |
116 | ALF ADP | 0.54 | 0.8625 |
117 | NAI | 0.539823 | 0.875 |
118 | TXD | 0.539823 | 0.875 |
119 | MAP | 0.539216 | 0.839506 |
120 | CNA | 0.538462 | 0.897436 |
121 | BT5 | 0.537815 | 0.804598 |
122 | DZD | 0.537815 | 0.853659 |
123 | 9K8 | 0.537736 | 0.769231 |
124 | TXE | 0.535088 | 0.875 |
125 | ADP VO4 | 0.534653 | 0.871795 |
126 | VO4 ADP | 0.534653 | 0.871795 |
127 | AOC | 0.532609 | 0.769231 |
128 | AFH | 0.531532 | 0.924051 |
129 | PAP | 0.530612 | 0.87013 |
130 | NAD | 0.529412 | 0.921053 |
131 | 5CD | 0.529412 | 0.8 |
132 | TYR AMP | 0.527273 | 0.886076 |
133 | GTA | 0.526786 | 0.833333 |
134 | AYB | 0.525424 | 0.804598 |
135 | F2R | 0.521008 | 0.813953 |
136 | A3D | 0.520661 | 0.909091 |
137 | ADP BMA | 0.518868 | 0.884615 |
138 | GA7 | 0.517857 | 0.85 |
139 | T5A | 0.516949 | 0.813953 |
140 | A3P | 0.515789 | 0.881579 |
141 | ATR | 0.515152 | 0.857143 |
142 | A A | 0.514019 | 0.883117 |
143 | UP5 | 0.513043 | 0.886076 |
144 | ADN | 0.511905 | 0.766234 |
145 | XYA | 0.511905 | 0.766234 |
146 | RAB | 0.511905 | 0.766234 |
147 | 5AS | 0.510417 | 0.736264 |
148 | G5A | 0.51 | 0.755556 |
149 | 80F | 0.508197 | 0.835294 |
150 | ZID | 0.507937 | 0.909091 |
151 | DTA | 0.505618 | 0.759494 |
152 | 2A5 | 0.50505 | 0.814815 |
153 | SSA | 0.504854 | 0.755556 |
154 | ARG AMP | 0.504425 | 0.802326 |
155 | LPA AMP | 0.504348 | 0.811765 |
156 | AP0 | 0.504274 | 0.841463 |
157 | 4TC | 0.504274 | 0.864198 |
158 | COD | 0.504132 | 0.766667 |
159 | AMP NAD | 0.504132 | 0.921053 |
160 | 5N5 | 0.5 | 0.74359 |
161 | 3AM | 0.5 | 0.844156 |
162 | PPS | 0.5 | 0.77907 |
163 | A4P | 0.5 | 0.795455 |
164 | A2R | 0.5 | 0.896104 |
165 | TAD | 0.5 | 0.831325 |
166 | YLY | 0.496 | 0.804598 |
167 | ATP A | 0.495495 | 0.894737 |
168 | ATP A A A | 0.495495 | 0.894737 |
169 | JB6 | 0.495413 | 0.851852 |
170 | TSB | 0.495238 | 0.772727 |
171 | A5A | 0.495146 | 0.781609 |
172 | EP4 | 0.494382 | 0.707317 |
173 | A4D | 0.494253 | 0.74359 |
174 | NAE | 0.492063 | 0.886076 |
175 | 139 | 0.491667 | 0.843373 |
176 | ADJ | 0.491667 | 0.823529 |
177 | UPA | 0.491525 | 0.875 |
178 | 7MD | 0.491228 | 0.833333 |
179 | 7D3 | 0.489583 | 0.802469 |
180 | EAD | 0.488372 | 0.843373 |
181 | NAQ | 0.488189 | 0.864198 |
182 | AMP DBH | 0.486726 | 0.860759 |
183 | 52H | 0.485714 | 0.755556 |
184 | 54H | 0.485714 | 0.764045 |
185 | VMS | 0.485714 | 0.764045 |
186 | 6AD | 0.485437 | 0.809524 |
187 | 7D4 | 0.484848 | 0.802469 |
188 | ITT | 0.484848 | 0.833333 |
189 | A2P | 0.484536 | 0.868421 |
190 | N0B | 0.484375 | 0.835294 |
191 | AHZ | 0.482759 | 0.811765 |
192 | 53H | 0.481132 | 0.755556 |
193 | 5CA | 0.481132 | 0.755556 |
194 | 8X1 | 0.481132 | 0.731183 |
195 | H1Q | 0.48 | 0.846154 |
196 | 7D5 | 0.478261 | 0.8 |
197 | P1H | 0.473684 | 0.823529 |
198 | 6RE | 0.473684 | 0.694118 |
199 | 3DH | 0.473118 | 0.725 |
200 | P5A | 0.472727 | 0.723404 |
201 | M2T | 0.472527 | 0.690476 |
202 | DSZ | 0.472222 | 0.775281 |
203 | NSS | 0.472222 | 0.755556 |
204 | LSS | 0.472222 | 0.73913 |
205 | SA8 | 0.470588 | 0.705882 |
206 | AF3 ADP 3PG | 0.470588 | 0.876543 |
207 | NVA LMS | 0.46789 | 0.731183 |
208 | BTX | 0.467742 | 0.793103 |
209 | MTA | 0.467391 | 0.725 |
210 | 7MC | 0.466667 | 0.813953 |
211 | HFD | 0.466019 | 0.910256 |
212 | JSQ | 0.466019 | 0.910256 |
213 | AR6 AR6 | 0.465517 | 0.907895 |
214 | 5X8 | 0.465347 | 0.759494 |
215 | SFG | 0.465347 | 0.746835 |
216 | YSA | 0.464912 | 0.775281 |
217 | A3N | 0.463918 | 0.716049 |
218 | J7C | 0.463918 | 0.702381 |
219 | LEU LMS | 0.463636 | 0.731183 |
220 | NA7 | 0.463636 | 0.85 |
221 | NDE | 0.462687 | 0.897436 |
222 | NJP | 0.459677 | 0.886076 |
223 | GSU | 0.459459 | 0.775281 |
224 | KAA | 0.459459 | 0.731183 |
225 | 6MZ | 0.459184 | 0.846154 |
226 | NO7 | 0.457944 | 0.82716 |
227 | 2AM | 0.457447 | 0.833333 |
228 | 7C5 | 0.456897 | 0.8125 |
229 | A5D | 0.456311 | 0.759494 |
230 | 8PZ | 0.45614 | 0.775281 |
231 | 0WD | 0.456 | 0.864198 |
232 | FB0 | 0.455882 | 0.741935 |
233 | NDC | 0.455882 | 0.864198 |
234 | ARU | 0.454545 | 0.809524 |
235 | MAO | 0.454545 | 0.715909 |
236 | B1U | 0.452174 | 0.734043 |
237 | SAI | 0.451923 | 0.731707 |
238 | SAH | 0.451923 | 0.740741 |
239 | IMO | 0.44898 | 0.844156 |
240 | ZAS | 0.447917 | 0.719512 |
241 | V3L | 0.447619 | 0.907895 |
242 | 3AT | 0.447619 | 0.858974 |
243 | NAJ PZO | 0.445312 | 0.841463 |
244 | GJV | 0.444444 | 0.686047 |
245 | G A A A | 0.444444 | 0.841463 |
246 | S4M | 0.444444 | 0.630435 |
247 | NPW | 0.443548 | 0.833333 |
248 | EEM | 0.443396 | 0.689655 |
249 | NAJ PYZ | 0.442748 | 0.86747 |
250 | 8Q2 | 0.442623 | 0.75 |
251 | KOY | 0.441667 | 0.820513 |
252 | NZQ | 0.44 | 0.853659 |
253 | AV2 | 0.439252 | 0.8125 |
254 | DSH | 0.438776 | 0.682353 |
255 | A3G | 0.438776 | 0.75 |
256 | 4YB | 0.436975 | 0.777778 |
257 | DAT | 0.436893 | 0.802469 |
258 | ODP | 0.436508 | 0.853659 |
259 | AVV | 0.436364 | 0.8875 |
260 | S7M | 0.435185 | 0.689655 |
261 | SMM | 0.435185 | 0.685393 |
262 | WSA | 0.434426 | 0.784091 |
263 | SAM | 0.433962 | 0.689655 |
264 | DTP | 0.433962 | 0.802469 |
265 | J4G | 0.433628 | 0.886076 |
266 | A G | 0.433071 | 0.851852 |
267 | 4TA | 0.433071 | 0.802326 |
268 | 0UM | 0.432432 | 0.697674 |
269 | NDP | 0.432 | 0.864198 |
270 | DCA | 0.430769 | 0.758242 |
271 | U A G G | 0.429688 | 0.851852 |
272 | 9JJ | 0.42953 | 0.878049 |
273 | OVE | 0.428571 | 0.802469 |
274 | NAP | 0.428571 | 0.909091 |
275 | TXP | 0.428571 | 0.864198 |
276 | FNK | 0.427586 | 0.76087 |
277 | LQJ | 0.42735 | 0.883117 |
278 | MHZ | 0.427184 | 0.659341 |
279 | 2SA | 0.425926 | 0.873418 |
280 | 6FA | 0.425532 | 0.813953 |
281 | 1DG | 0.425373 | 0.864198 |
282 | TAP | 0.425373 | 0.851852 |
283 | DG1 | 0.425373 | 0.864198 |
284 | A6D | 0.424779 | 0.701149 |
285 | 01A | 0.424658 | 0.804348 |
286 | NEC | 0.424242 | 0.7 |
287 | 649 | 0.422764 | 0.741935 |
288 | NA0 | 0.422222 | 0.897436 |
289 | 5AD | 0.420455 | 0.697368 |
290 | ETB | 0.419847 | 0.766667 |
291 | FAS | 0.41958 | 0.823529 |
292 | FAD | 0.41958 | 0.823529 |
293 | SFD | 0.41958 | 0.714286 |
294 | FDA | 0.41844 | 0.786517 |
295 | OZP | 0.418033 | 0.746988 |
296 | Y3J | 0.417582 | 0.723684 |
297 | 7DD | 0.417476 | 0.87013 |
298 | A7D | 0.417476 | 0.728395 |
299 | A3S | 0.417476 | 0.759494 |
300 | AMZ | 0.416667 | 0.833333 |
301 | C2R | 0.416667 | 0.846154 |
302 | AAT | 0.416667 | 0.666667 |
303 | 62X | 0.415929 | 0.666667 |
304 | FAY | 0.414966 | 0.833333 |
305 | P5F | 0.414474 | 0.797753 |
306 | GGZ | 0.414414 | 0.755814 |
307 | KB1 | 0.413793 | 0.780488 |
308 | 0T1 | 0.413534 | 0.758242 |
309 | COA | 0.413534 | 0.758242 |
310 | PGS | 0.413462 | 0.785714 |
311 | A A A | 0.412281 | 0.848101 |
312 | K15 | 0.412281 | 0.681818 |
313 | U A | 0.412214 | 0.875 |
314 | RFL | 0.412162 | 0.795455 |
315 | 71V | 0.411765 | 0.807229 |
316 | V1N | 0.411765 | 0.907895 |
317 | 6C6 | 0.411215 | 0.804878 |
318 | NHD | 0.410853 | 0.896104 |
319 | XNP | 0.410853 | 0.821429 |
320 | GEK | 0.410714 | 0.73494 |
321 | N5O | 0.41 | 0.716049 |
322 | A3T | 0.409524 | 0.769231 |
323 | F2N | 0.409091 | 0.769231 |
324 | FAM | 0.408759 | 0.78022 |
325 | 62F | 0.408163 | 0.811765 |
326 | 6IA | 0.407407 | 0.767442 |
327 | AAM | 0.405941 | 0.881579 |
328 | 7DT | 0.40566 | 0.87013 |
329 | APU | 0.404762 | 0.8625 |
330 | CAO | 0.404412 | 0.734043 |
331 | AMX | 0.404412 | 0.766667 |
332 | COS | 0.404412 | 0.741935 |
333 | 30N | 0.404412 | 0.69697 |
334 | Z5A | 0.404412 | 0.775281 |
335 | N6P | 0.403509 | 0.855263 |
336 | FYN | 0.402878 | 0.758242 |
337 | N5A | 0.401961 | 0.691358 |
338 | CMX | 0.40146 | 0.777778 |
339 | SCO | 0.40146 | 0.777778 |
340 | SOP | 0.4 | 0.741935 |
341 | 7D7 | 0.4 | 0.696203 |
342 | YZS | 0.4 | 0.676471 |
343 | KGP | 0.4 | 0.676471 |
344 | PO4 PO4 A A A A PO4 | 0.4 | 0.868421 |
This union binding pocket(no: 1) in the query (biounit: 3cw9.bio1) has 29 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 3cw9.bio1) has 29 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |