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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 2 families. | |||||
1 | 1JBV | - | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
2 | 1JBW | - | TMF | C20 H21 N7 O6 | c1cc(ccc1C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 1JBV | - | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
2 | 1JBW | - | TMF | C20 H21 N7 O6 | c1cc(ccc1C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | ACQ | 1 | 1 |
2 | 6YZ | 0.909091 | 1 |
3 | ACP | 0.866667 | 1 |
4 | APC | 0.831169 | 0.986301 |
5 | ADP | 0.826667 | 0.972222 |
6 | A2D | 0.810811 | 0.945205 |
7 | B4P | 0.802632 | 0.945205 |
8 | AP5 | 0.802632 | 0.945205 |
9 | HEJ | 0.794872 | 0.972222 |
10 | ATP | 0.794872 | 0.972222 |
11 | BA3 | 0.789474 | 0.945205 |
12 | AQP | 0.78481 | 0.972222 |
13 | 5FA | 0.78481 | 0.972222 |
14 | AN2 | 0.769231 | 0.958904 |
15 | AT4 | 0.769231 | 0.933333 |
16 | M33 | 0.759494 | 0.932432 |
17 | AMP | 0.746667 | 0.944444 |
18 | A | 0.746667 | 0.944444 |
19 | APR | 0.740741 | 0.945205 |
20 | AR6 | 0.740741 | 0.945205 |
21 | ANP | 0.73494 | 0.945946 |
22 | AD9 | 0.731707 | 0.945946 |
23 | AGS | 0.731707 | 0.921053 |
24 | SAP | 0.731707 | 0.921053 |
25 | A12 | 0.721519 | 0.986301 |
26 | AP2 | 0.721519 | 0.986301 |
27 | CA0 | 0.716049 | 0.92 |
28 | ADX | 0.716049 | 0.851852 |
29 | 50T | 0.707317 | 0.932432 |
30 | KG4 | 0.707317 | 0.92 |
31 | HQG | 0.701149 | 0.958904 |
32 | PRX | 0.698795 | 0.87013 |
33 | ATF | 0.697674 | 0.933333 |
34 | ABM | 0.696203 | 0.893333 |
35 | 45A | 0.696203 | 0.893333 |
36 | T99 | 0.694118 | 0.933333 |
37 | TAT | 0.694118 | 0.933333 |
38 | A22 | 0.693182 | 0.958904 |
39 | ADV | 0.690476 | 0.959459 |
40 | RBY | 0.690476 | 0.959459 |
41 | ADP MG | 0.682927 | 0.917808 |
42 | 4TC | 0.68 | 0.922078 |
43 | ADQ | 0.677778 | 0.92 |
44 | SRA | 0.670886 | 0.894737 |
45 | APC MG | 0.670588 | 0.918919 |
46 | 5AL | 0.666667 | 0.906667 |
47 | 8LE | 0.666667 | 0.871795 |
48 | 25L | 0.659574 | 0.958904 |
49 | A1R | 0.659341 | 0.909091 |
50 | A3R | 0.659341 | 0.909091 |
51 | AU1 | 0.654762 | 0.945946 |
52 | 8LH | 0.651685 | 0.883117 |
53 | SRP | 0.651685 | 0.907895 |
54 | ADP PO3 | 0.651163 | 0.917808 |
55 | ATP MG | 0.651163 | 0.917808 |
56 | 25A | 0.648352 | 0.945205 |
57 | OAD | 0.645161 | 0.92 |
58 | 9X8 | 0.645161 | 0.896104 |
59 | 4AD | 0.641304 | 0.921053 |
60 | 8LQ | 0.637363 | 0.907895 |
61 | 00A | 0.634409 | 0.860759 |
62 | 3OD | 0.631579 | 0.92 |
63 | BIS | 0.631579 | 0.909091 |
64 | 5SV | 0.630435 | 0.82716 |
65 | OZV | 0.630435 | 0.945205 |
66 | OOB | 0.630435 | 0.906667 |
67 | 8QN | 0.630435 | 0.906667 |
68 | AMO | 0.623656 | 0.933333 |
69 | PAJ | 0.623656 | 0.8625 |
70 | G5P | 0.62 | 0.897436 |
71 | MAP | 0.619565 | 0.921053 |
72 | AHX | 0.617021 | 0.897436 |
73 | DLL | 0.617021 | 0.906667 |
74 | PTJ | 0.614583 | 0.873418 |
75 | 3UK | 0.610526 | 0.894737 |
76 | G3A | 0.61 | 0.897436 |
77 | 7D3 | 0.607143 | 0.881579 |
78 | SON | 0.604651 | 0.933333 |
79 | ALF ADP | 0.604396 | 0.848101 |
80 | ADP ALF | 0.604396 | 0.848101 |
81 | PR8 | 0.604167 | 0.851852 |
82 | WAQ | 0.604167 | 0.884615 |
83 | B5V | 0.604167 | 0.883117 |
84 | LAD | 0.604167 | 0.8625 |
85 | 2A5 | 0.602273 | 0.92 |
86 | GAP | 0.6 | 0.87013 |
87 | GTA | 0.598039 | 0.864198 |
88 | FYA | 0.597938 | 0.906667 |
89 | ME8 | 0.597938 | 0.841463 |
90 | NB8 | 0.597938 | 0.897436 |
91 | 1ZZ | 0.597938 | 0.819277 |
92 | TXA | 0.597938 | 0.907895 |
93 | VO4 ADP | 0.597826 | 0.906667 |
94 | ADP VO4 | 0.597826 | 0.906667 |
95 | 7D4 | 0.597701 | 0.881579 |
96 | LMS | 0.597561 | 0.807229 |
97 | TXD | 0.596154 | 0.884615 |
98 | UP5 | 0.596154 | 0.896104 |
99 | ATR | 0.595506 | 0.944444 |
100 | PAP | 0.595506 | 0.958333 |
101 | AFH | 0.588235 | 0.886076 |
102 | ADN | 0.586667 | 0.821918 |
103 | RAB | 0.586667 | 0.821918 |
104 | XYA | 0.586667 | 0.821918 |
105 | 9SN | 0.585859 | 0.85 |
106 | DQV | 0.582524 | 0.932432 |
107 | NAX | 0.580952 | 0.875 |
108 | FA5 | 0.58 | 0.907895 |
109 | B5Y | 0.58 | 0.871795 |
110 | B5M | 0.58 | 0.871795 |
111 | YAP | 0.58 | 0.896104 |
112 | ITT | 0.579545 | 0.917808 |
113 | A4P | 0.579439 | 0.823529 |
114 | 9ZA | 0.578947 | 0.884615 |
115 | 9ZD | 0.578947 | 0.884615 |
116 | ADP BMA | 0.57732 | 0.894737 |
117 | XAH | 0.574257 | 0.841463 |
118 | GA7 | 0.572816 | 0.907895 |
119 | 48N | 0.571429 | 0.897436 |
120 | JSQ | 0.571429 | 0.921053 |
121 | HFD | 0.571429 | 0.921053 |
122 | 4UV | 0.568627 | 0.871795 |
123 | DAL AMP | 0.568421 | 0.881579 |
124 | DND | 0.566038 | 0.907895 |
125 | 6V0 | 0.566038 | 0.873418 |
126 | NXX | 0.566038 | 0.907895 |
127 | NAI | 0.566038 | 0.884615 |
128 | AOC | 0.564706 | 0.8 |
129 | LAQ | 0.561905 | 0.819277 |
130 | 7D5 | 0.560976 | 0.855263 |
131 | TXE | 0.560748 | 0.884615 |
132 | OMR | 0.560748 | 0.831325 |
133 | A2R | 0.557895 | 0.958904 |
134 | 4UU | 0.557692 | 0.871795 |
135 | 5AS | 0.556818 | 0.761364 |
136 | AP0 | 0.555556 | 0.873418 |
137 | T5A | 0.554545 | 0.843373 |
138 | 139 | 0.554545 | 0.851852 |
139 | TAD | 0.552381 | 0.910256 |
140 | 4UW | 0.551402 | 0.839506 |
141 | 5N5 | 0.551282 | 0.797297 |
142 | CNA | 0.54955 | 0.907895 |
143 | ATP A | 0.54902 | 0.905405 |
144 | ATP A A A | 0.54902 | 0.905405 |
145 | A3P | 0.545455 | 0.944444 |
146 | 5CD | 0.544304 | 0.783784 |
147 | A4D | 0.544304 | 0.797297 |
148 | 80F | 0.54386 | 0.843373 |
149 | 6AD | 0.542553 | 0.886076 |
150 | YLP | 0.542056 | 0.821429 |
151 | NO7 | 0.541667 | 0.907895 |
152 | UPA | 0.541284 | 0.884615 |
153 | ADJ | 0.540541 | 0.831325 |
154 | A A | 0.54 | 0.918919 |
155 | M2T | 0.536585 | 0.716049 |
156 | DZD | 0.535088 | 0.910256 |
157 | JB6 | 0.534653 | 0.884615 |
158 | TYM | 0.53211 | 0.907895 |
159 | IOT | 0.531532 | 0.833333 |
160 | F2R | 0.530973 | 0.865854 |
161 | A3D | 0.530435 | 0.894737 |
162 | 3AM | 0.529412 | 0.90411 |
163 | MYR AMP | 0.529412 | 0.797619 |
164 | AR6 AR6 | 0.528302 | 0.893333 |
165 | 7MD | 0.528302 | 0.864198 |
166 | A2P | 0.52809 | 0.930556 |
167 | YLC | 0.527273 | 0.841463 |
168 | YLB | 0.527273 | 0.821429 |
169 | PPS | 0.526316 | 0.851852 |
170 | COD | 0.526316 | 0.813953 |
171 | NAD | 0.526316 | 0.906667 |
172 | EP4 | 0.52439 | 0.734177 |
173 | H1Q | 0.521739 | 0.88 |
174 | G5A | 0.521277 | 0.781609 |
175 | AV2 | 0.520833 | 0.893333 |
176 | AHZ | 0.518519 | 0.797619 |
177 | DTA | 0.518072 | 0.766234 |
178 | 3DH | 0.517647 | 0.753247 |
179 | 7DD | 0.516484 | 0.958333 |
180 | 3AT | 0.515789 | 0.972222 |
181 | NA7 | 0.514852 | 0.959459 |
182 | YLA | 0.513274 | 0.821429 |
183 | MTA | 0.511905 | 0.753247 |
184 | AMP DBH | 0.509434 | 0.87013 |
185 | TYR AMP | 0.509434 | 0.871795 |
186 | AYB | 0.508772 | 0.811765 |
187 | IMO | 0.505618 | 0.90411 |
188 | DAT | 0.505376 | 0.906667 |
189 | A5A | 0.505155 | 0.788235 |
190 | TSB | 0.50505 | 0.8 |
191 | DTP | 0.5 | 0.906667 |
192 | 7MC | 0.5 | 0.843373 |
193 | BTX | 0.5 | 0.843373 |
194 | V3L | 0.5 | 0.945205 |
195 | NAE | 0.5 | 0.871795 |
196 | S4M | 0.5 | 0.670455 |
197 | 6MZ | 0.5 | 0.905405 |
198 | ARG AMP | 0.5 | 0.831325 |
199 | 2AM | 0.5 | 0.917808 |
200 | LPA AMP | 0.5 | 0.797619 |
201 | 6RE | 0.5 | 0.7625 |
202 | AVV | 0.5 | 0.897436 |
203 | SSA | 0.5 | 0.802326 |
204 | 7DT | 0.5 | 0.958333 |
205 | EAD | 0.495935 | 0.851852 |
206 | NAQ | 0.495868 | 0.85 |
207 | BT5 | 0.495726 | 0.833333 |
208 | GCP | 0.494949 | 0.922078 |
209 | VMS | 0.494949 | 0.770115 |
210 | 54H | 0.494949 | 0.770115 |
211 | 52H | 0.494949 | 0.761364 |
212 | MAO | 0.494505 | 0.761905 |
213 | ZID | 0.491803 | 0.894737 |
214 | M24 | 0.491667 | 0.829268 |
215 | AF3 ADP 3PG | 0.491071 | 0.839506 |
216 | ARU | 0.490196 | 0.839506 |
217 | 53H | 0.49 | 0.761364 |
218 | 8X1 | 0.49 | 0.755556 |
219 | 5CA | 0.49 | 0.802326 |
220 | 5X8 | 0.489362 | 0.766234 |
221 | J7C | 0.488889 | 0.772152 |
222 | A3N | 0.488889 | 0.766234 |
223 | ZAS | 0.488636 | 0.746835 |
224 | OVE | 0.483146 | 0.881579 |
225 | P5A | 0.480769 | 0.747253 |
226 | NSS | 0.480392 | 0.802326 |
227 | DSZ | 0.480392 | 0.802326 |
228 | LSS | 0.480392 | 0.764045 |
229 | P1H | 0.480315 | 0.831325 |
230 | NDE | 0.480315 | 0.907895 |
231 | YLY | 0.479339 | 0.811765 |
232 | A3G | 0.477778 | 0.802632 |
233 | DSH | 0.477778 | 0.728395 |
234 | 9K8 | 0.47619 | 0.698925 |
235 | NVA LMS | 0.475728 | 0.755556 |
236 | G2P | 0.475248 | 0.910256 |
237 | G A A A | 0.474576 | 0.85 |
238 | AMP NAD | 0.474576 | 0.881579 |
239 | LQJ | 0.472222 | 0.893333 |
240 | LEU LMS | 0.471154 | 0.755556 |
241 | TXP | 0.470085 | 0.897436 |
242 | DDS | 0.469388 | 0.855263 |
243 | N0B | 0.467742 | 0.821429 |
244 | GJV | 0.467391 | 0.753086 |
245 | GSU | 0.466667 | 0.781609 |
246 | J4G | 0.466667 | 0.921053 |
247 | KAA | 0.466667 | 0.755556 |
248 | NJP | 0.466102 | 0.921053 |
249 | SA8 | 0.463918 | 0.710843 |
250 | MHZ | 0.463158 | 0.701149 |
251 | RGT | 0.462963 | 0.933333 |
252 | NAJ PZO | 0.46281 | 0.82716 |
253 | 5AD | 0.4625 | 0.726027 |
254 | 71V | 0.462366 | 0.884615 |
255 | 0WD | 0.462185 | 0.897436 |
256 | 4TA | 0.462185 | 0.809524 |
257 | NDC | 0.461538 | 0.85 |
258 | NPW | 0.461538 | 0.8875 |
259 | FB0 | 0.461538 | 0.827586 |
260 | NAJ PYZ | 0.459677 | 0.788235 |
261 | 6C6 | 0.459184 | 0.883117 |
262 | YSA | 0.458716 | 0.781609 |
263 | SFG | 0.458333 | 0.753247 |
264 | NZQ | 0.457627 | 0.910256 |
265 | PO4 PO4 A A A A PO4 | 0.457143 | 0.878378 |
266 | 7D7 | 0.45679 | 0.723684 |
267 | 128 | 0.45614 | 0.758621 |
268 | SMM | 0.455446 | 0.689655 |
269 | FDA | 0.454545 | 0.835294 |
270 | 6IA | 0.454545 | 0.839506 |
271 | GDP | 0.454545 | 0.896104 |
272 | SAM | 0.454545 | 0.694118 |
273 | ODP | 0.453782 | 0.886076 |
274 | A7D | 0.452632 | 0.779221 |
275 | A3S | 0.452632 | 0.813333 |
276 | 12D | 0.451327 | 0.767442 |
277 | 6FA | 0.451128 | 0.843373 |
278 | 7C5 | 0.45045 | 0.797468 |
279 | AAT | 0.45 | 0.710843 |
280 | A G | 0.45 | 0.860759 |
281 | 8PZ | 0.449541 | 0.802326 |
282 | NDP | 0.449153 | 0.897436 |
283 | A5D | 0.44898 | 0.766234 |
284 | PGS | 0.447917 | 0.860759 |
285 | N6P | 0.447619 | 0.890411 |
286 | KOY | 0.447368 | 0.782051 |
287 | GGZ | 0.446602 | 0.804878 |
288 | U A G G | 0.446281 | 0.860759 |
289 | NEC | 0.445652 | 0.727273 |
290 | D5M | 0.445652 | 0.88 |
291 | DA | 0.445652 | 0.88 |
292 | 2SA | 0.445545 | 0.933333 |
293 | B1U | 0.445455 | 0.72043 |
294 | SAH | 0.444444 | 0.746835 |
295 | FAS | 0.444444 | 0.853659 |
296 | FAD | 0.444444 | 0.853659 |
297 | SFD | 0.444444 | 0.736842 |
298 | SAI | 0.444444 | 0.7375 |
299 | A3T | 0.443299 | 0.8 |
300 | 4YB | 0.442478 | 0.764045 |
301 | 6K6 | 0.442308 | 0.905405 |
302 | 62F | 0.442029 | 0.864198 |
303 | GTP | 0.441176 | 0.896104 |
304 | S7M | 0.441176 | 0.694118 |
305 | AAM | 0.44086 | 0.944444 |
306 | Y3J | 0.440476 | 0.706667 |
307 | U A | 0.439024 | 0.884615 |
308 | C2R | 0.438202 | 0.88 |
309 | AMZ | 0.438202 | 0.891892 |
310 | XNP | 0.438017 | 0.851852 |
311 | EEM | 0.435644 | 0.694118 |
312 | APU | 0.432203 | 0.871795 |
313 | A U | 0.432203 | 0.848101 |
314 | FNK | 0.431655 | 0.806818 |
315 | HDV | 0.431373 | 0.87013 |
316 | AIR | 0.430233 | 0.876712 |
317 | N5O | 0.430108 | 0.766234 |
318 | GP3 | 0.43 | 0.897436 |
319 | A A A | 0.429907 | 0.906667 |
320 | Z5A | 0.429688 | 0.761364 |
321 | GEK | 0.428571 | 0.740741 |
322 | FAY | 0.428571 | 0.864198 |
323 | NIA | 0.428571 | 0.802469 |
324 | WSA | 0.42735 | 0.790698 |
325 | NA0 | 0.426357 | 0.907895 |
326 | RFL | 0.425532 | 0.823529 |
327 | ETB | 0.424 | 0.835294 |
328 | DCA | 0.424 | 0.825581 |
329 | NAP | 0.421875 | 0.92 |
330 | GNH | 0.421569 | 0.884615 |
331 | N5A | 0.421053 | 0.74026 |
332 | PUA | 0.420635 | 0.8625 |
333 | 101 | 0.419355 | 0.855263 |
334 | GNP | 0.419048 | 0.873418 |
335 | 9GM | 0.419048 | 0.873418 |
336 | FA9 | 0.418919 | 0.865854 |
337 | J7V | 0.418605 | 0.813953 |
338 | TAP | 0.418605 | 0.884615 |
339 | TM1 | 0.418182 | 0.755814 |
340 | 9BG | 0.418033 | 0.873418 |
341 | 0T1 | 0.417323 | 0.825581 |
342 | COA | 0.417323 | 0.825581 |
343 | A6D | 0.416667 | 0.705882 |
344 | V1N | 0.415929 | 0.893333 |
345 | 649 | 0.415254 | 0.747253 |
346 | 7RP | 0.414894 | 0.902778 |
347 | 9JJ | 0.413793 | 0.841463 |
348 | FCX | 0.412214 | 0.797753 |
349 | 8Q2 | 0.411765 | 0.775281 |
350 | 0UM | 0.411215 | 0.702381 |
351 | 7RA | 0.410526 | 0.931507 |
352 | FAI | 0.410526 | 0.891892 |
353 | G1R | 0.409524 | 0.884615 |
354 | ACK | 0.408602 | 0.837838 |
355 | QQY | 0.408602 | 0.794872 |
356 | P5F | 0.408163 | 0.825581 |
357 | 1DG | 0.407692 | 0.897436 |
358 | AMX | 0.407692 | 0.835294 |
359 | CAO | 0.407692 | 0.797753 |
360 | COS | 0.407692 | 0.806818 |
361 | 30N | 0.407692 | 0.755319 |
362 | DG1 | 0.407692 | 0.897436 |
363 | 62X | 0.407407 | 0.670455 |
364 | GDD | 0.40708 | 0.8625 |
365 | GDC | 0.40708 | 0.8625 |
366 | GKE | 0.40708 | 0.8625 |
367 | 8BR | 0.40625 | 0.883117 |
368 | IDP | 0.405941 | 0.894737 |
369 | NVA 2AD | 0.405941 | 0.7625 |
370 | D3Y | 0.40566 | 0.792208 |
371 | GSP | 0.40566 | 0.851852 |
372 | SCO | 0.40458 | 0.825581 |
373 | CMX | 0.40458 | 0.825581 |
374 | 5GP | 0.40404 | 0.883117 |
375 | G | 0.40404 | 0.883117 |
376 | MGP | 0.403846 | 0.8625 |
377 | K15 | 0.40367 | 0.686047 |
378 | NHD | 0.403226 | 0.881579 |
379 | COK | 0.402985 | 0.806818 |
380 | F2N | 0.402685 | 0.816092 |
381 | 3AD | 0.402299 | 0.808219 |
382 | S8M | 0.401869 | 0.7625 |
383 | FAM | 0.401515 | 0.806818 |
384 | ACO | 0.401515 | 0.797753 |
385 | 2VA | 0.4 | 0.779221 |
386 | 3NZ | 0.4 | 0.78481 |
387 | 6G0 | 0.4 | 0.8625 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | TMF | 1 | 1 |
2 | MHF | 0.588785 | 0.96 |
3 | MEF | 0.550459 | 0.96 |
4 | THF | 0.518182 | 0.893333 |
5 | FGD | 0.445455 | 0.72 |
6 | GUE | 0.444444 | 0.92 |
7 | FON | 0.428571 | 0.866667 |
8 | FOZ | 0.428571 | 0.866667 |
9 | 9L9 | 0.415094 | 0.76 |
10 | DHF | 0.412281 | 0.824324 |
11 | LYA | 0.410714 | 0.714286 |
12 | TLL | 0.408 | 0.8125 |
13 | DZF | 0.405172 | 0.723684 |
14 | C2F | 0.403361 | 0.833333 |
15 | DDF | 0.401709 | 0.779221 |
16 | 21V | 0.401709 | 0.779221 |
17 | FFO | 0.4 | 0.866667 |
This union binding pocket(no: 1) in the query (biounit: 1jbw.bio1) has 34 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |