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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 266 families. | |||||
1 | 5OYH | - | T99 | C10 H16 N5 O12 P3 S | c1nc(c2c(n.... |
2 | 6SIR | - | GTP | C10 H16 N5 O14 P3 | c1nc2c(n1[.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 218 families. | |||||
1 | 5OYH | - | T99 | C10 H16 N5 O12 P3 S | c1nc(c2c(n.... |
2 | 6SIR | - | GTP | C10 H16 N5 O14 P3 | c1nc2c(n1[.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | TAT | 1 | 1 |
2 | T99 | 1 | 1 |
3 | ATP | 0.794872 | 0.958904 |
4 | HEJ | 0.794872 | 0.958904 |
5 | 5FA | 0.78481 | 0.958904 |
6 | AQP | 0.78481 | 0.958904 |
7 | ADP | 0.779221 | 0.958904 |
8 | B4P | 0.75641 | 0.932432 |
9 | AP5 | 0.75641 | 0.932432 |
10 | AT4 | 0.746835 | 1 |
11 | A | 0.746667 | 0.931507 |
12 | AMP | 0.746667 | 0.931507 |
13 | BA3 | 0.74359 | 0.932432 |
14 | A2D | 0.74026 | 0.932432 |
15 | 6YZ | 0.729412 | 0.933333 |
16 | AN2 | 0.703704 | 0.945946 |
17 | APC | 0.698795 | 0.921053 |
18 | 45A | 0.696203 | 0.881579 |
19 | ABM | 0.696203 | 0.881579 |
20 | M33 | 0.695122 | 0.92 |
21 | ACQ | 0.694118 | 0.933333 |
22 | AGS | 0.690476 | 0.986486 |
23 | SAP | 0.690476 | 0.986486 |
24 | ACP | 0.686747 | 0.933333 |
25 | A12 | 0.679012 | 0.921053 |
26 | AP2 | 0.679012 | 0.921053 |
27 | APR | 0.678571 | 0.932432 |
28 | AR6 | 0.678571 | 0.932432 |
29 | ADX | 0.674699 | 0.8875 |
30 | CA0 | 0.674699 | 0.907895 |
31 | ANP | 0.674419 | 0.933333 |
32 | SRA | 0.670886 | 0.959459 |
33 | AD9 | 0.670588 | 0.933333 |
34 | 50T | 0.666667 | 0.92 |
35 | KG4 | 0.666667 | 0.907895 |
36 | ADP MG | 0.662651 | 0.905405 |
37 | 25L | 0.659574 | 0.945946 |
38 | PRX | 0.658824 | 0.858974 |
39 | AU1 | 0.654762 | 0.933333 |
40 | OZV | 0.648352 | 0.932432 |
41 | HQG | 0.644444 | 0.945946 |
42 | ATF | 0.640449 | 0.921053 |
43 | A22 | 0.637363 | 0.945946 |
44 | ADP PO3 | 0.632184 | 0.905405 |
45 | ADV | 0.632184 | 0.896104 |
46 | RBY | 0.632184 | 0.896104 |
47 | APC MG | 0.632184 | 0.881579 |
48 | ATP MG | 0.632184 | 0.905405 |
49 | 5AL | 0.629214 | 0.894737 |
50 | 8LE | 0.629214 | 0.860759 |
51 | ADQ | 0.623656 | 0.907895 |
52 | MAP | 0.619565 | 0.909091 |
53 | 8LH | 0.615385 | 0.871795 |
54 | SRP | 0.615385 | 0.871795 |
55 | JB6 | 0.614583 | 0.922078 |
56 | 25A | 0.612903 | 0.932432 |
57 | 9X8 | 0.610526 | 0.934211 |
58 | A1R | 0.606383 | 0.873418 |
59 | A3R | 0.606383 | 0.873418 |
60 | SON | 0.604651 | 0.896104 |
61 | ALF ADP | 0.604396 | 0.8375 |
62 | ADP ALF | 0.604396 | 0.8375 |
63 | 8LQ | 0.602151 | 0.871795 |
64 | GAP | 0.6 | 0.858974 |
65 | ADP VO4 | 0.597826 | 0.894737 |
66 | VO4 ADP | 0.597826 | 0.894737 |
67 | 7D4 | 0.597701 | 0.87013 |
68 | LMS | 0.597561 | 0.841463 |
69 | OOB | 0.595745 | 0.894737 |
70 | 5SV | 0.595745 | 0.817073 |
71 | 8QN | 0.595745 | 0.894737 |
72 | OAD | 0.59375 | 0.907895 |
73 | 4AD | 0.589474 | 0.884615 |
74 | PAJ | 0.589474 | 0.851852 |
75 | AMO | 0.589474 | 0.896104 |
76 | RAB | 0.586667 | 0.810811 |
77 | ADN | 0.586667 | 0.810811 |
78 | XYA | 0.586667 | 0.810811 |
79 | DLL | 0.583333 | 0.894737 |
80 | AHX | 0.583333 | 0.8625 |
81 | 00A | 0.583333 | 0.85 |
82 | PTJ | 0.581633 | 0.8625 |
83 | 3OD | 0.581633 | 0.907895 |
84 | BIS | 0.581633 | 0.897436 |
85 | ITT | 0.579545 | 0.905405 |
86 | 9ZA | 0.578947 | 0.873418 |
87 | 9ZD | 0.578947 | 0.873418 |
88 | PAP | 0.577778 | 0.945205 |
89 | ADP BMA | 0.57732 | 0.883117 |
90 | 3UK | 0.57732 | 0.883117 |
91 | 5AS | 0.574713 | 0.793103 |
92 | G5P | 0.572816 | 0.886076 |
93 | PR8 | 0.571429 | 0.819277 |
94 | B5V | 0.571429 | 0.871795 |
95 | WAQ | 0.571429 | 0.85 |
96 | LAD | 0.571429 | 0.829268 |
97 | 7D3 | 0.569767 | 0.87013 |
98 | DAL AMP | 0.568421 | 0.87013 |
99 | 2A5 | 0.566667 | 0.883117 |
100 | UP5 | 0.566038 | 0.884615 |
101 | FYA | 0.565657 | 0.87013 |
102 | ME8 | 0.565657 | 0.831325 |
103 | NB8 | 0.565657 | 0.8625 |
104 | TXA | 0.565657 | 0.896104 |
105 | 1ZZ | 0.565657 | 0.809524 |
106 | AOC | 0.564706 | 0.789474 |
107 | A4D | 0.564103 | 0.810811 |
108 | G3A | 0.563107 | 0.886076 |
109 | ATR | 0.56044 | 0.931507 |
110 | GAV | 0.556701 | 0.923077 |
111 | 9SN | 0.554455 | 0.839506 |
112 | JSQ | 0.554348 | 0.909091 |
113 | HFD | 0.554348 | 0.909091 |
114 | 4UV | 0.553398 | 0.860759 |
115 | GTA | 0.552381 | 0.853659 |
116 | DQV | 0.552381 | 0.92 |
117 | 5N5 | 0.551282 | 0.786667 |
118 | A4P | 0.550459 | 0.813953 |
119 | B5Y | 0.54902 | 0.860759 |
120 | YAP | 0.54902 | 0.860759 |
121 | FA5 | 0.54902 | 0.871795 |
122 | B5M | 0.54902 | 0.860759 |
123 | A3P | 0.545455 | 0.931507 |
124 | 5CD | 0.544304 | 0.773333 |
125 | XAH | 0.543689 | 0.809524 |
126 | AFH | 0.542857 | 0.851852 |
127 | 7D5 | 0.542169 | 0.844156 |
128 | A A | 0.54 | 0.906667 |
129 | 3DH | 0.535714 | 0.766234 |
130 | ATP A A A | 0.533981 | 0.893333 |
131 | ATP A | 0.533981 | 0.893333 |
132 | 3AT | 0.531915 | 0.932432 |
133 | 3AM | 0.529412 | 0.891892 |
134 | MYR AMP | 0.529412 | 0.788235 |
135 | 7MD | 0.528302 | 0.831325 |
136 | GA7 | 0.528302 | 0.871795 |
137 | 4UU | 0.528302 | 0.860759 |
138 | A2P | 0.52809 | 0.917808 |
139 | 48N | 0.527778 | 0.8625 |
140 | UPA | 0.527273 | 0.873418 |
141 | 4TC | 0.527273 | 0.8625 |
142 | AP0 | 0.527273 | 0.8625 |
143 | T5A | 0.526786 | 0.811765 |
144 | EP4 | 0.52439 | 0.725 |
145 | TAD | 0.523364 | 0.898734 |
146 | 6V0 | 0.522936 | 0.8625 |
147 | NXX | 0.522936 | 0.896104 |
148 | TXD | 0.522936 | 0.873418 |
149 | 4UW | 0.522936 | 0.829268 |
150 | DND | 0.522936 | 0.896104 |
151 | NAX | 0.522936 | 0.841463 |
152 | NAI | 0.522936 | 0.873418 |
153 | H1Q | 0.521739 | 0.868421 |
154 | G5A | 0.521277 | 0.793103 |
155 | LAQ | 0.518519 | 0.876543 |
156 | AHZ | 0.518519 | 0.831325 |
157 | TXE | 0.518182 | 0.873418 |
158 | OMR | 0.518182 | 0.821429 |
159 | DTA | 0.518072 | 0.802632 |
160 | M2T | 0.518072 | 0.728395 |
161 | OVE | 0.517241 | 0.945946 |
162 | DTP | 0.515789 | 0.87013 |
163 | SSA | 0.515464 | 0.813953 |
164 | AR6 AR6 | 0.514019 | 0.881579 |
165 | YLP | 0.513761 | 0.790698 |
166 | 139 | 0.513274 | 0.841463 |
167 | MTA | 0.511905 | 0.766234 |
168 | PPS | 0.510417 | 0.8875 |
169 | 6AD | 0.510417 | 0.923077 |
170 | A2R | 0.510204 | 0.945946 |
171 | AMP DBH | 0.509434 | 0.858974 |
172 | TYR AMP | 0.509434 | 0.8375 |
173 | IMO | 0.505618 | 0.891892 |
174 | AV2 | 0.505155 | 0.881579 |
175 | A5A | 0.505155 | 0.821429 |
176 | 8X1 | 0.50505 | 0.766667 |
177 | TSB | 0.50505 | 0.833333 |
178 | 5CA | 0.50505 | 0.813953 |
179 | TYM | 0.504505 | 0.871795 |
180 | COD | 0.5 | 0.804598 |
181 | 6RE | 0.5 | 0.731707 |
182 | V3L | 0.5 | 0.932432 |
183 | YLB | 0.5 | 0.790698 |
184 | 6MZ | 0.5 | 0.893333 |
185 | ADJ | 0.5 | 0.821429 |
186 | YLC | 0.5 | 0.809524 |
187 | ARG AMP | 0.5 | 0.8 |
188 | 2AM | 0.5 | 0.905405 |
189 | AYB | 0.495652 | 0.781609 |
190 | CNA | 0.495652 | 0.896104 |
191 | NO7 | 0.494949 | 0.896104 |
192 | 54H | 0.494949 | 0.802326 |
193 | VMS | 0.494949 | 0.802326 |
194 | 52H | 0.494949 | 0.793103 |
195 | 71V | 0.494505 | 0.922078 |
196 | 80F | 0.491525 | 0.855422 |
197 | F2R | 0.491379 | 0.833333 |
198 | IOT | 0.491228 | 0.802326 |
199 | AF3 ADP 3PG | 0.491071 | 0.807229 |
200 | 53H | 0.49 | 0.793103 |
201 | DAT | 0.489362 | 0.87013 |
202 | 5X8 | 0.489362 | 0.75641 |
203 | A3N | 0.488889 | 0.75641 |
204 | J7C | 0.488889 | 0.740741 |
205 | ZAS | 0.488636 | 0.7375 |
206 | NAD | 0.487179 | 0.894737 |
207 | YLA | 0.486957 | 0.790698 |
208 | 7MC | 0.486726 | 0.811765 |
209 | LPA AMP | 0.486486 | 0.853659 |
210 | DDS | 0.484536 | 0.844156 |
211 | EAD | 0.483871 | 0.841463 |
212 | S4M | 0.483516 | 0.662921 |
213 | P5A | 0.480769 | 0.758242 |
214 | DSZ | 0.480392 | 0.813953 |
215 | LSS | 0.480392 | 0.775281 |
216 | NSS | 0.480392 | 0.813953 |
217 | A3D | 0.478992 | 0.883117 |
218 | MAO | 0.478261 | 0.732558 |
219 | DSH | 0.477778 | 0.719512 |
220 | 9K8 | 0.47619 | 0.747253 |
221 | NVA LMS | 0.475728 | 0.766667 |
222 | BTX | 0.474576 | 0.855422 |
223 | 6C6 | 0.474227 | 0.848101 |
224 | LEU LMS | 0.471154 | 0.766667 |
225 | NA7 | 0.471154 | 0.921053 |
226 | BT5 | 0.470588 | 0.845238 |
227 | 7DT | 0.46875 | 0.945205 |
228 | P1H | 0.46875 | 0.821429 |
229 | GJV | 0.467391 | 0.722892 |
230 | YLY | 0.467213 | 0.781609 |
231 | KAA | 0.466667 | 0.766667 |
232 | GSU | 0.466667 | 0.793103 |
233 | AAT | 0.464646 | 0.722892 |
234 | NAE | 0.463415 | 0.860759 |
235 | 8PZ | 0.462963 | 0.813953 |
236 | RGT | 0.462963 | 0.921053 |
237 | 5AD | 0.4625 | 0.716216 |
238 | 4TA | 0.462185 | 0.77907 |
239 | AMP NAD | 0.462185 | 0.87013 |
240 | G A A A | 0.462185 | 0.839506 |
241 | A3G | 0.461538 | 0.769231 |
242 | 2SA | 0.46 | 0.896104 |
243 | NAQ | 0.459677 | 0.839506 |
244 | YSA | 0.458716 | 0.793103 |
245 | SFG | 0.458333 | 0.721519 |
246 | DZD | 0.458333 | 0.851852 |
247 | 7D7 | 0.45679 | 0.714286 |
248 | 128 | 0.45614 | 0.75 |
249 | ZID | 0.456 | 0.883117 |
250 | N0B | 0.456 | 0.790698 |
251 | M24 | 0.455285 | 0.819277 |
252 | 6IA | 0.454545 | 0.807229 |
253 | J4G | 0.45283 | 0.884615 |
254 | 7DD | 0.452632 | 0.945205 |
255 | A7D | 0.452632 | 0.769231 |
256 | U A | 0.45082 | 0.873418 |
257 | NAJ PZO | 0.45082 | 0.817073 |
258 | SA8 | 0.44898 | 0.682353 |
259 | A5D | 0.44898 | 0.802632 |
260 | NAJ PYZ | 0.448 | 0.77907 |
261 | PGS | 0.447917 | 0.922078 |
262 | MHZ | 0.447917 | 0.674157 |
263 | ARU | 0.447619 | 0.829268 |
264 | N6P | 0.447619 | 0.878378 |
265 | NDE | 0.446154 | 0.896104 |
266 | NEC | 0.445652 | 0.717949 |
267 | D5M | 0.445652 | 0.844156 |
268 | DA | 0.445652 | 0.844156 |
269 | LQJ | 0.445455 | 0.881579 |
270 | B1U | 0.445455 | 0.75 |
271 | SAH | 0.444444 | 0.7375 |
272 | SAI | 0.444444 | 0.707317 |
273 | PO4 PO4 A A A A PO4 | 0.443396 | 0.866667 |
274 | AVV | 0.442308 | 0.8625 |
275 | SMM | 0.441176 | 0.681818 |
276 | AAM | 0.44086 | 0.931507 |
277 | Y3J | 0.440476 | 0.697368 |
278 | SAM | 0.44 | 0.686047 |
279 | FB0 | 0.439394 | 0.777778 |
280 | NDC | 0.439394 | 0.839506 |
281 | C2R | 0.438202 | 0.868421 |
282 | AMZ | 0.438202 | 0.88 |
283 | A G | 0.438017 | 0.85 |
284 | 7C5 | 0.4375 | 0.7875 |
285 | A3S | 0.4375 | 0.779221 |
286 | EEM | 0.435644 | 0.666667 |
287 | KOY | 0.434783 | 0.772152 |
288 | U A G G | 0.434426 | 0.85 |
289 | GGZ | 0.432692 | 0.839506 |
290 | A U | 0.432203 | 0.8375 |
291 | 62F | 0.431655 | 0.831325 |
292 | AIR | 0.430233 | 0.864865 |
293 | N5O | 0.430108 | 0.734177 |
294 | A A A | 0.429907 | 0.87013 |
295 | 4YB | 0.429825 | 0.775281 |
296 | NJP | 0.429752 | 0.909091 |
297 | Z5A | 0.429688 | 0.752809 |
298 | 6FA | 0.42963 | 0.811765 |
299 | NIA | 0.428571 | 0.792683 |
300 | 6K6 | 0.428571 | 0.893333 |
301 | A3T | 0.428571 | 0.789474 |
302 | WSA | 0.42735 | 0.802326 |
303 | GTP | 0.427184 | 0.884615 |
304 | S7M | 0.427184 | 0.686047 |
305 | 0WD | 0.42623 | 0.886076 |
306 | 12D | 0.426087 | 0.758621 |
307 | QQY | 0.423913 | 0.855263 |
308 | 8Q2 | 0.423729 | 0.786517 |
309 | FAS | 0.423358 | 0.821429 |
310 | FAD | 0.423358 | 0.821429 |
311 | FDA | 0.422222 | 0.804598 |
312 | N5A | 0.421053 | 0.708861 |
313 | 8BR | 0.421053 | 0.871795 |
314 | 62X | 0.420561 | 0.644444 |
315 | APU | 0.420168 | 0.860759 |
316 | ZDA | 0.42 | 0.831169 |
317 | 101 | 0.419355 | 0.844156 |
318 | ODP | 0.418033 | 0.875 |
319 | HDV | 0.417476 | 0.858974 |
320 | A6D | 0.416667 | 0.738095 |
321 | K15 | 0.416667 | 0.659091 |
322 | V1N | 0.415929 | 0.881579 |
323 | 649 | 0.415254 | 0.758242 |
324 | S8M | 0.415094 | 0.753086 |
325 | GEK | 0.415094 | 0.731707 |
326 | NPW | 0.413223 | 0.853659 |
327 | NDP | 0.413223 | 0.886076 |
328 | SFD | 0.413043 | 0.765957 |
329 | GDP | 0.411765 | 0.884615 |
330 | 0UM | 0.411215 | 0.674419 |
331 | 7RA | 0.410526 | 0.918919 |
332 | OZP | 0.410256 | 0.702381 |
333 | NZQ | 0.409836 | 0.875 |
334 | TXP | 0.409836 | 0.886076 |
335 | SXZ | 0.409091 | 0.705882 |
336 | ACK | 0.408602 | 0.826667 |
337 | 1RB | 0.408602 | 0.849315 |
338 | FAY | 0.408451 | 0.831325 |
339 | COA | 0.40625 | 0.816092 |
340 | NVA 2AD | 0.405941 | 0.731707 |
341 | RFL | 0.405594 | 0.793103 |
342 | TM1 | 0.405405 | 0.747126 |
343 | KB1 | 0.405405 | 0.674419 |
344 | A C A C | 0.404762 | 0.817073 |
345 | 9JJ | 0.40411 | 0.831325 |
346 | 3AD | 0.402299 | 0.773333 |
347 | ETB | 0.401575 | 0.804598 |
348 | DCA | 0.401575 | 0.795455 |
349 | FNK | 0.401408 | 0.777778 |
350 | 7RP | 0.4 | 0.890411 |
351 | FA9 | 0.4 | 0.833333 |
352 | 2VA | 0.4 | 0.769231 |
This union binding pocket(no: 1) in the query (biounit: 6sir.bio2) has 39 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 6sir.bio2) has 41 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 6sir.bio1) has 42 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 6sir.bio1) has 42 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |