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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 9 families. | |||||
1 | 3N10 | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
2 | 3N0Y | - | APC | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
3 | 3N0Z | - | 3AT | C10 H16 N5 O12 P3 | c1nc(c2c(n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 8 families. | |||||
1 | 3N10 | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
2 | 3N0Y | - | APC | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
3 | 3N0Z | - | 3AT | C10 H16 N5 O12 P3 | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | APC | 1 | 1 |
2 | ACQ | 0.831169 | 0.986301 |
3 | A12 | 0.821918 | 1 |
4 | AP2 | 0.821918 | 1 |
5 | ADV | 0.805195 | 0.972973 |
6 | RBY | 0.805195 | 0.972973 |
7 | AMP | 0.777778 | 0.931507 |
8 | A | 0.777778 | 0.931507 |
9 | ADP | 0.763158 | 0.958904 |
10 | ACP | 0.75641 | 0.986301 |
11 | 6YZ | 0.756098 | 0.986301 |
12 | A2D | 0.746667 | 0.932432 |
13 | AP5 | 0.74026 | 0.932432 |
14 | B4P | 0.74026 | 0.932432 |
15 | ATP | 0.734177 | 0.958904 |
16 | HEJ | 0.734177 | 0.958904 |
17 | BA3 | 0.727273 | 0.932432 |
18 | AQP | 0.725 | 0.958904 |
19 | 5FA | 0.725 | 0.958904 |
20 | 45A | 0.723684 | 0.881579 |
21 | ABM | 0.723684 | 0.881579 |
22 | AMP MG | 0.72 | 0.891892 |
23 | AN2 | 0.708861 | 0.945946 |
24 | AT4 | 0.708861 | 0.921053 |
25 | M33 | 0.7 | 0.92 |
26 | TAT | 0.698795 | 0.921053 |
27 | T99 | 0.698795 | 0.921053 |
28 | SRA | 0.697368 | 0.883117 |
29 | ADP MG | 0.6875 | 0.905405 |
30 | ADP BEF | 0.6875 | 0.905405 |
31 | APR | 0.682927 | 0.932432 |
32 | AR6 | 0.682927 | 0.932432 |
33 | AU1 | 0.679012 | 0.933333 |
34 | ADX | 0.679012 | 0.841463 |
35 | CA0 | 0.679012 | 0.907895 |
36 | ANP | 0.678571 | 0.933333 |
37 | AGS | 0.674699 | 0.909091 |
38 | AD9 | 0.674699 | 0.933333 |
39 | ADP PO3 | 0.674699 | 0.905405 |
40 | ATP MG | 0.674699 | 0.905405 |
41 | APC MG | 0.674699 | 0.932432 |
42 | 50T | 0.670732 | 0.92 |
43 | KG4 | 0.670732 | 0.907895 |
44 | PRX | 0.662651 | 0.858974 |
45 | HQG | 0.647727 | 0.945946 |
46 | BEF ADP | 0.647059 | 0.881579 |
47 | ATF | 0.643678 | 0.921053 |
48 | A22 | 0.640449 | 0.945946 |
49 | MAP | 0.640449 | 0.909091 |
50 | GAP | 0.639535 | 0.858974 |
51 | TAD | 0.632653 | 0.923077 |
52 | 5AL | 0.632184 | 0.894737 |
53 | 8LE | 0.632184 | 0.860759 |
54 | V2G | 0.632184 | 0.886076 |
55 | SON | 0.626506 | 0.946667 |
56 | ADQ | 0.626374 | 0.907895 |
57 | ALF ADP | 0.625 | 0.8375 |
58 | ANP MG | 0.625 | 0.894737 |
59 | VO4 ADP | 0.625 | 0.907895 |
60 | LMS | 0.620253 | 0.797619 |
61 | SRP | 0.617977 | 0.896104 |
62 | 8LH | 0.617977 | 0.871795 |
63 | 25A | 0.615385 | 0.932432 |
64 | 9ZA | 0.615385 | 0.873418 |
65 | 9ZD | 0.615385 | 0.873418 |
66 | RAB | 0.611111 | 0.810811 |
67 | ADN | 0.611111 | 0.810811 |
68 | XYA | 0.611111 | 0.810811 |
69 | 25L | 0.610526 | 0.945946 |
70 | A1R | 0.608696 | 0.922078 |
71 | A3R | 0.608696 | 0.922078 |
72 | 4AD | 0.608696 | 0.909091 |
73 | 8LQ | 0.604396 | 0.896104 |
74 | QA7 | 0.604396 | 0.860759 |
75 | DAL AMP | 0.604396 | 0.87013 |
76 | JNT | 0.602151 | 0.933333 |
77 | 38V | 0.598214 | 0.924051 |
78 | OOB | 0.597826 | 0.894737 |
79 | 8QN | 0.597826 | 0.894737 |
80 | 5SV | 0.597826 | 0.839506 |
81 | OZV | 0.597826 | 0.932432 |
82 | ADP BMA | 0.595745 | 0.883117 |
83 | OAD | 0.595745 | 0.907895 |
84 | 9X8 | 0.595745 | 0.884615 |
85 | PAJ | 0.591398 | 0.851852 |
86 | AMO | 0.591398 | 0.921053 |
87 | AOC | 0.585366 | 0.789474 |
88 | AHX | 0.585106 | 0.886076 |
89 | 00A | 0.585106 | 0.85 |
90 | DLL | 0.585106 | 0.894737 |
91 | 3OD | 0.583333 | 0.907895 |
92 | BIS | 0.583333 | 0.897436 |
93 | PTJ | 0.583333 | 0.8625 |
94 | 3UK | 0.578947 | 0.883117 |
95 | DZD | 0.577982 | 0.923077 |
96 | 5AS | 0.576471 | 0.752809 |
97 | 5N5 | 0.573333 | 0.786667 |
98 | O02 | 0.573034 | 0.960526 |
99 | WAQ | 0.572917 | 0.897436 |
100 | B5V | 0.572917 | 0.871795 |
101 | LAD | 0.572917 | 0.875 |
102 | PR8 | 0.572917 | 0.864198 |
103 | 4TC | 0.571429 | 0.910256 |
104 | FYA | 0.56701 | 0.894737 |
105 | ME8 | 0.56701 | 0.831325 |
106 | TXA | 0.56701 | 0.896104 |
107 | NB8 | 0.56701 | 0.886076 |
108 | 1ZZ | 0.56701 | 0.831325 |
109 | 5CD | 0.565789 | 0.773333 |
110 | A4D | 0.565789 | 0.786667 |
111 | KMQ | 0.565657 | 0.896104 |
112 | ATP A | 0.565657 | 0.893333 |
113 | ATP A A A | 0.565657 | 0.893333 |
114 | A3P | 0.564706 | 0.931507 |
115 | 7D5 | 0.5625 | 0.868421 |
116 | PAP | 0.561798 | 0.945205 |
117 | MYR AMP | 0.561224 | 0.809524 |
118 | G5P | 0.558824 | 0.886076 |
119 | M2T | 0.556962 | 0.707317 |
120 | 9SN | 0.555556 | 0.839506 |
121 | G2P | 0.553191 | 0.923077 |
122 | 7D3 | 0.552941 | 0.894737 |
123 | UP5 | 0.552381 | 0.884615 |
124 | TXD | 0.552381 | 0.873418 |
125 | JB6 | 0.55102 | 0.873418 |
126 | 2A5 | 0.550562 | 0.907895 |
127 | B5Y | 0.55 | 0.860759 |
128 | FA5 | 0.55 | 0.896104 |
129 | B5M | 0.55 | 0.860759 |
130 | G3A | 0.54902 | 0.886076 |
131 | 3AM | 0.548781 | 0.891892 |
132 | A2P | 0.546512 | 0.917808 |
133 | 7D4 | 0.545455 | 0.894737 |
134 | XAH | 0.544554 | 0.853659 |
135 | ATR | 0.544444 | 0.931507 |
136 | EP4 | 0.544304 | 0.725 |
137 | GA7 | 0.543689 | 0.896104 |
138 | AFH | 0.543689 | 0.875 |
139 | H1Q | 0.539326 | 0.868421 |
140 | 4UV | 0.539216 | 0.860759 |
141 | G5A | 0.538462 | 0.772727 |
142 | GTA | 0.538462 | 0.853659 |
143 | DQV | 0.538462 | 0.92 |
144 | NAI | 0.537736 | 0.873418 |
145 | DTA | 0.5375 | 0.779221 |
146 | 3DH | 0.536585 | 0.74359 |
147 | LAQ | 0.533333 | 0.831325 |
148 | AHZ | 0.533333 | 0.788235 |
149 | MTA | 0.530864 | 0.74359 |
150 | 7MD | 0.528846 | 0.853659 |
151 | ARG AMP | 0.528846 | 0.821429 |
152 | 4UU | 0.528846 | 0.860759 |
153 | AR6 AR6 | 0.528846 | 0.881579 |
154 | 48N | 0.528302 | 0.886076 |
155 | LPA AMP | 0.528302 | 0.809524 |
156 | ITT | 0.52809 | 0.905405 |
157 | L3W | 0.527778 | 0.896104 |
158 | AMP DBH | 0.524272 | 0.858974 |
159 | DND | 0.523364 | 0.896104 |
160 | 6V0 | 0.523364 | 0.8625 |
161 | 4UW | 0.523364 | 0.829268 |
162 | NAX | 0.523364 | 0.864198 |
163 | IMO | 0.523256 | 0.891892 |
164 | A4P | 0.522936 | 0.813953 |
165 | HFD | 0.521739 | 0.909091 |
166 | JSQ | 0.521739 | 0.909091 |
167 | A5A | 0.521277 | 0.77907 |
168 | TSB | 0.520833 | 0.790698 |
169 | OMR | 0.518519 | 0.843373 |
170 | TXE | 0.518519 | 0.873418 |
171 | 2AM | 0.518072 | 0.905405 |
172 | 6RE | 0.517647 | 0.753086 |
173 | S4M | 0.517241 | 0.681818 |
174 | 6MZ | 0.517241 | 0.893333 |
175 | V3L | 0.516129 | 0.932432 |
176 | SSA | 0.515789 | 0.793103 |
177 | YLP | 0.514019 | 0.833333 |
178 | UPA | 0.513761 | 0.873418 |
179 | AP0 | 0.513761 | 0.8625 |
180 | 139 | 0.513514 | 0.864198 |
181 | T5A | 0.513514 | 0.855422 |
182 | PPS | 0.510638 | 0.841463 |
183 | 52H | 0.510417 | 0.752809 |
184 | 54H | 0.510417 | 0.761364 |
185 | VMS | 0.510417 | 0.761364 |
186 | A2R | 0.510417 | 0.945946 |
187 | CNA | 0.508929 | 0.896104 |
188 | ZAS | 0.505882 | 0.7375 |
189 | J7C | 0.505747 | 0.7625 |
190 | A3N | 0.505747 | 0.75641 |
191 | 5X8 | 0.505495 | 0.75641 |
192 | 5CA | 0.505155 | 0.793103 |
193 | 8X1 | 0.505155 | 0.747253 |
194 | 53H | 0.505155 | 0.752809 |
195 | TYM | 0.504587 | 0.896104 |
196 | AF3 ADP 3PG | 0.504587 | 0.829268 |
197 | ALF ADP 3PG | 0.504587 | 0.829268 |
198 | IOT | 0.504505 | 0.845238 |
199 | 80F | 0.504348 | 0.833333 |
200 | AMP NAD | 0.5 | 0.87013 |
201 | YLC | 0.5 | 0.853659 |
202 | NAD IBO | 0.5 | 0.881579 |
203 | 7MC | 0.5 | 0.833333 |
204 | ADJ | 0.5 | 0.843373 |
205 | YLB | 0.5 | 0.833333 |
206 | OVE | 0.5 | 0.87013 |
207 | NAD TDB | 0.5 | 0.881579 |
208 | P5A | 0.49505 | 0.758242 |
209 | LSS | 0.494949 | 0.755556 |
210 | DSZ | 0.494949 | 0.793103 |
211 | NSS | 0.494949 | 0.793103 |
212 | NO7 | 0.494845 | 0.896104 |
213 | 6AD | 0.494737 | 0.875 |
214 | MAO | 0.494382 | 0.77381 |
215 | DSH | 0.494253 | 0.740741 |
216 | A3D | 0.491379 | 0.883117 |
217 | F2R | 0.491228 | 0.855422 |
218 | 9K8 | 0.490196 | 0.691489 |
219 | O05 | 0.490196 | 0.879518 |
220 | NVA LMS | 0.49 | 0.747253 |
221 | AV2 | 0.489583 | 0.881579 |
222 | CUU | 0.48913 | 0.958904 |
223 | NWW | 0.4875 | 0.72973 |
224 | NAD | 0.486957 | 0.894737 |
225 | COD | 0.486957 | 0.825581 |
226 | 4TA | 0.486957 | 0.821429 |
227 | YLA | 0.486726 | 0.833333 |
228 | LEU LMS | 0.485149 | 0.725275 |
229 | NA7 | 0.485149 | 0.972973 |
230 | 3AT | 0.484211 | 0.958904 |
231 | GJV | 0.483146 | 0.743902 |
232 | AYB | 0.482456 | 0.823529 |
233 | 5AD | 0.480519 | 0.716216 |
234 | KAA | 0.480392 | 0.766667 |
235 | GSU | 0.480392 | 0.772727 |
236 | 71V | 0.477778 | 0.873418 |
237 | A3G | 0.477273 | 0.792208 |
238 | 7D7 | 0.474359 | 0.736842 |
239 | BTX | 0.474138 | 0.855422 |
240 | 6C6 | 0.473684 | 0.896104 |
241 | DAT | 0.473118 | 0.92 |
242 | SFG | 0.473118 | 0.766234 |
243 | YSA | 0.471698 | 0.772727 |
244 | PO4 PO4 A A A A PO4 | 0.470588 | 0.866667 |
245 | BT5 | 0.470085 | 0.845238 |
246 | AVV | 0.47 | 0.910256 |
247 | SMM | 0.469388 | 0.701149 |
248 | DTP | 0.46875 | 0.92 |
249 | SAM | 0.46875 | 0.705882 |
250 | 6IA | 0.46875 | 0.829268 |
251 | A7D | 0.467391 | 0.792208 |
252 | M24 | 0.466667 | 0.819277 |
253 | J4G | 0.466019 | 0.909091 |
254 | SA8 | 0.463158 | 0.722892 |
255 | A5D | 0.463158 | 0.779221 |
256 | D4F | 0.46281 | 0.809524 |
257 | NAE | 0.46281 | 0.860759 |
258 | PGS | 0.462366 | 0.85 |
259 | MHZ | 0.462366 | 0.712644 |
260 | K3K | 0.462264 | 0.772152 |
261 | 8PZ | 0.462264 | 0.793103 |
262 | NAJ PZO | 0.462185 | 0.817073 |
263 | D5M | 0.460674 | 0.893333 |
264 | DA | 0.460674 | 0.893333 |
265 | NEC | 0.460674 | 0.717949 |
266 | EAD | 0.459677 | 0.841463 |
267 | KOY | 0.459459 | 0.772152 |
268 | 2SA | 0.459184 | 0.921053 |
269 | NAQ | 0.459016 | 0.839506 |
270 | SAH | 0.458333 | 0.759494 |
271 | SAI | 0.458333 | 0.75 |
272 | LQJ | 0.457944 | 0.881579 |
273 | B1U | 0.457944 | 0.712766 |
274 | Y3J | 0.45679 | 0.697368 |
275 | AAM | 0.455556 | 0.931507 |
276 | 6K6 | 0.455446 | 0.893333 |
277 | ZID | 0.455285 | 0.883117 |
278 | S7M | 0.454545 | 0.705882 |
279 | 4YB | 0.454545 | 0.755556 |
280 | YLY | 0.454545 | 0.823529 |
281 | C2R | 0.453488 | 0.868421 |
282 | AMZ | 0.453488 | 0.88 |
283 | A3S | 0.451613 | 0.802632 |
284 | Z5A | 0.451613 | 0.772727 |
285 | 7DD | 0.451613 | 0.945205 |
286 | 7C5 | 0.449541 | 0.7875 |
287 | 101 | 0.449438 | 0.868421 |
288 | EEM | 0.44898 | 0.705882 |
289 | NWQ | 0.448276 | 0.710526 |
290 | NAJ PYZ | 0.447154 | 0.77907 |
291 | N6P | 0.446602 | 0.878378 |
292 | ARU | 0.446602 | 0.829268 |
293 | AIR | 0.445783 | 0.864865 |
294 | NDE | 0.445312 | 0.896104 |
295 | P1H | 0.445312 | 0.821429 |
296 | N5O | 0.444444 | 0.75641 |
297 | N0B | 0.443548 | 0.833333 |
298 | NIA | 0.443182 | 0.792683 |
299 | A3T | 0.442105 | 0.789474 |
300 | GEK | 0.441176 | 0.753086 |
301 | QXP | 0.441176 | 0.758621 |
302 | K3E | 0.440367 | 0.7625 |
303 | V47 | 0.44 | 0.753247 |
304 | GP2 | 0.438776 | 0.923077 |
305 | DDS | 0.438776 | 0.868421 |
306 | WSA | 0.438596 | 0.781609 |
307 | 7DT | 0.4375 | 0.945205 |
308 | 0WD | 0.436975 | 0.886076 |
309 | N5A | 0.434783 | 0.730769 |
310 | 8BR | 0.434783 | 0.871795 |
311 | AAT | 0.434343 | 0.722892 |
312 | DZ4 | 0.434343 | 0.896104 |
313 | K2R | 0.433962 | 0.87013 |
314 | TXP | 0.432203 | 0.886076 |
315 | GGZ | 0.431373 | 0.795181 |
316 | NJP | 0.428571 | 0.909091 |
317 | A6D | 0.428571 | 0.717647 |
318 | QXG | 0.428571 | 0.75 |
319 | NYZ | 0.428571 | 0.923077 |
320 | FB0 | 0.427481 | 0.83908 |
321 | NDC | 0.427481 | 0.8625 |
322 | PLP AAD | 0.42623 | 0.728261 |
323 | 649 | 0.426087 | 0.758242 |
324 | KL2 | 0.425287 | 0.805195 |
325 | R2V | 0.424528 | 0.758621 |
326 | 7RA | 0.423913 | 0.918919 |
327 | NDP | 0.423729 | 0.886076 |
328 | 0UM | 0.423077 | 0.714286 |
329 | 8Q2 | 0.422414 | 0.766667 |
330 | ACK | 0.422222 | 0.826667 |
331 | QQY | 0.422222 | 0.78481 |
332 | RGT | 0.422018 | 0.921053 |
333 | FDA | 0.421053 | 0.825581 |
334 | CC5 | 0.419753 | 0.808219 |
335 | ANZ | 0.419643 | 0.771084 |
336 | K2H | 0.419048 | 0.728395 |
337 | 62X | 0.419048 | 0.681818 |
338 | APU | 0.418803 | 0.860759 |
339 | K2W | 0.418182 | 0.756098 |
340 | 6FA | 0.41791 | 0.833333 |
341 | KY2 | 0.417476 | 0.746988 |
342 | 128 | 0.417391 | 0.75 |
343 | ODP | 0.416667 | 0.875 |
344 | 3AD | 0.416667 | 0.797297 |
345 | TM1 | 0.416667 | 0.747126 |
346 | K15 | 0.415094 | 0.697674 |
347 | CMP | 0.414894 | 0.864865 |
348 | 2BA | 0.414894 | 0.878378 |
349 | V1N | 0.414414 | 0.881579 |
350 | S8M | 0.413462 | 0.775 |
351 | 7RP | 0.413043 | 0.890411 |
352 | K38 | 0.412844 | 0.75 |
353 | 2VA | 0.412371 | 0.769231 |
354 | 12D | 0.412281 | 0.758621 |
355 | FAS | 0.411765 | 0.843373 |
356 | FAD | 0.411765 | 0.843373 |
357 | SFD | 0.411765 | 0.729167 |
358 | NPW | 0.411765 | 0.876543 |
359 | 2FA | 0.411765 | 0.782051 |
360 | K2K | 0.411215 | 0.753086 |
361 | QQX | 0.411111 | 0.775 |
362 | 62F | 0.410072 | 0.853659 |
363 | NX8 | 0.41 | 0.731707 |
364 | KYB | 0.409524 | 0.746988 |
365 | FAI | 0.408602 | 0.88 |
366 | AS | 0.408602 | 0.848101 |
367 | RMB | 0.408602 | 0.837838 |
368 | NZQ | 0.408333 | 0.898734 |
369 | GCP | 0.407767 | 0.910256 |
370 | SXZ | 0.407407 | 0.72619 |
371 | SP1 | 0.406593 | 0.810127 |
372 | RP1 | 0.406593 | 0.810127 |
373 | K3H | 0.405405 | 0.722892 |
374 | EO7 | 0.404255 | 0.761364 |
375 | NVA 2AD | 0.40404 | 0.753086 |
376 | D3Y | 0.403846 | 0.782051 |
377 | KB1 | 0.40367 | 0.714286 |
378 | KY5 | 0.40367 | 0.740741 |
379 | SLU | 0.403226 | 0.744444 |
380 | N01 | 0.403226 | 0.87013 |
381 | G | 0.402062 | 0.871795 |
382 | 5GP | 0.402062 | 0.871795 |
383 | 2TM | 0.402062 | 0.835443 |
384 | NMN AMP PO4 | 0.401639 | 0.8375 |
385 | XNP | 0.401639 | 0.841463 |
386 | VRT | 0.4 | 0.7625 |
387 | FNK | 0.4 | 0.797753 |
388 | ETB | 0.4 | 0.825581 |
389 | 3L1 | 0.4 | 0.789474 |
390 | SO8 | 0.4 | 0.759494 |
391 | 3D1 | 0.4 | 0.789474 |
392 | DCA | 0.4 | 0.837209 |
This union binding pocket(no: 1) in the query (biounit: 3n0y.bio1) has 24 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 3n0y.bio1) has 25 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |