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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 1331 families. | |||||
1 | 3TLC | - | 7MD | C17 H27 N8 O9 P | c1nc(c2c(n.... |
2 | 3TLB | - | DSZ | C14 H19 N7 O9 S | c1nc(c2c(n.... |
3 | 3TLE | - | GSU | C15 H21 N7 O9 S | c1nc(c2c(n.... |
4 | 3TLZ | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 45 families. | |||||
1 | 3T5M | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
2 | 3U1B | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
3 | 3TYX | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
4 | 3TLC | - | 7MD | C17 H27 N8 O9 P | c1nc(c2c(n.... |
5 | 3TLB | - | DSZ | C14 H19 N7 O9 S | c1nc(c2c(n.... |
6 | 3TLE | - | GSU | C15 H21 N7 O9 S | c1nc(c2c(n.... |
7 | 3TLZ | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 7MD | 1 | 1 |
2 | 7MC | 0.771429 | 0.975309 |
3 | AMO | 0.609524 | 0.924051 |
4 | DSZ | 0.609524 | 0.820225 |
5 | XAH | 0.594595 | 0.926829 |
6 | LAD | 0.577982 | 0.95 |
7 | AMP | 0.568421 | 0.8375 |
8 | A | 0.568421 | 0.8375 |
9 | V2G | 0.567308 | 0.9375 |
10 | KG4 | 0.564356 | 0.8875 |
11 | AMP MG | 0.5625 | 0.825 |
12 | AHX | 0.559633 | 0.91358 |
13 | NB8 | 0.558559 | 0.91358 |
14 | SRP | 0.556604 | 0.924051 |
15 | CA0 | 0.554455 | 0.8875 |
16 | ADP PO3 | 0.553398 | 0.8375 |
17 | ATP MG | 0.553398 | 0.8375 |
18 | 5AL | 0.552381 | 0.875 |
19 | ABM | 0.55102 | 0.817073 |
20 | 45A | 0.55102 | 0.817073 |
21 | A2D | 0.55102 | 0.8625 |
22 | ADP | 0.55 | 0.8625 |
23 | AP5 | 0.55 | 0.8625 |
24 | B4P | 0.55 | 0.8625 |
25 | WAQ | 0.54955 | 0.925 |
26 | QA7 | 0.546296 | 0.843373 |
27 | AN2 | 0.544554 | 0.875 |
28 | ADP MG | 0.544554 | 0.8375 |
29 | ADP BEF | 0.544554 | 0.8375 |
30 | ANP | 0.542857 | 0.864198 |
31 | A12 | 0.54 | 0.853659 |
32 | AP2 | 0.54 | 0.853659 |
33 | BA3 | 0.54 | 0.8625 |
34 | AU1 | 0.539216 | 0.864198 |
35 | APC MG | 0.538462 | 0.817073 |
36 | 4AD | 0.536364 | 0.9125 |
37 | KAA | 0.535714 | 0.833333 |
38 | 50T | 0.533981 | 0.829268 |
39 | HEJ | 0.533981 | 0.8625 |
40 | ATP | 0.533981 | 0.8625 |
41 | 8LQ | 0.53211 | 0.876543 |
42 | TXA | 0.530973 | 0.876543 |
43 | SRA | 0.530612 | 0.797619 |
44 | SON | 0.529412 | 0.876543 |
45 | AT4 | 0.529412 | 0.831325 |
46 | 5FA | 0.528846 | 0.8625 |
47 | PRX | 0.528846 | 0.841463 |
48 | APC | 0.528846 | 0.853659 |
49 | AQP | 0.528846 | 0.8625 |
50 | T99 | 0.528302 | 0.831325 |
51 | GAP | 0.528302 | 0.8875 |
52 | TAT | 0.528302 | 0.831325 |
53 | ACQ | 0.528302 | 0.864198 |
54 | 8LH | 0.527778 | 0.876543 |
55 | 9ZA | 0.527273 | 0.855422 |
56 | 9ZD | 0.527273 | 0.855422 |
57 | 8QN | 0.527273 | 0.875 |
58 | ADX | 0.524272 | 0.784091 |
59 | M33 | 0.524272 | 0.851852 |
60 | 8LE | 0.523364 | 0.843373 |
61 | GSU | 0.522124 | 0.820225 |
62 | ACP | 0.519231 | 0.864198 |
63 | A5A | 0.518519 | 0.766667 |
64 | DAL AMP | 0.518182 | 0.851852 |
65 | ME8 | 0.517544 | 0.858824 |
66 | 1ZZ | 0.517544 | 0.858824 |
67 | APR | 0.514286 | 0.886076 |
68 | AR6 | 0.514286 | 0.886076 |
69 | 6YZ | 0.513761 | 0.864198 |
70 | SSA | 0.513761 | 0.820225 |
71 | 5SV | 0.513514 | 0.823529 |
72 | MYR AMP | 0.513043 | 0.837209 |
73 | ADV | 0.509434 | 0.876543 |
74 | RBY | 0.509434 | 0.876543 |
75 | AD9 | 0.509434 | 0.841463 |
76 | AGS | 0.509434 | 0.821429 |
77 | 54H | 0.509091 | 0.75 |
78 | VMS | 0.509091 | 0.75 |
79 | PAJ | 0.508929 | 0.857143 |
80 | PR8 | 0.508772 | 0.9625 |
81 | BEF ADP | 0.504673 | 0.817073 |
82 | G5A | 0.504673 | 0.820225 |
83 | ANP MG | 0.504587 | 0.851852 |
84 | MAP | 0.504505 | 0.843373 |
85 | 5CA | 0.504505 | 0.820225 |
86 | TSB | 0.504505 | 0.777778 |
87 | DLL | 0.504425 | 0.875 |
88 | FYA | 0.504348 | 0.875 |
89 | JB6 | 0.504348 | 0.855422 |
90 | FA5 | 0.504274 | 0.9 |
91 | ARG AMP | 0.5 | 0.892857 |
92 | YLB | 0.5 | 0.927711 |
93 | OOB | 0.5 | 0.875 |
94 | YLP | 0.5 | 0.927711 |
95 | AYB | 0.496063 | 0.916667 |
96 | B5V | 0.495652 | 0.853659 |
97 | A1R | 0.495575 | 0.925 |
98 | LSS | 0.495575 | 0.763441 |
99 | HQG | 0.495495 | 0.875 |
100 | 52H | 0.495495 | 0.741935 |
101 | TYM | 0.491935 | 0.9 |
102 | ATP A | 0.491525 | 0.82716 |
103 | ATP A A A | 0.491525 | 0.82716 |
104 | PTJ | 0.491379 | 0.823529 |
105 | 3OD | 0.491379 | 0.8875 |
106 | JNT | 0.491228 | 0.911392 |
107 | 00A | 0.491228 | 0.833333 |
108 | 53H | 0.491071 | 0.741935 |
109 | A22 | 0.491071 | 0.851852 |
110 | VO4 ADP | 0.490909 | 0.819277 |
111 | ALF ADP | 0.490909 | 0.77907 |
112 | ATF | 0.490909 | 0.831325 |
113 | LMS | 0.49 | 0.764045 |
114 | YLC | 0.488 | 0.926829 |
115 | YSA | 0.487395 | 0.78022 |
116 | 3UK | 0.486957 | 0.864198 |
117 | OAD | 0.486957 | 0.8875 |
118 | 25A | 0.486726 | 0.839506 |
119 | NAI | 0.483871 | 0.833333 |
120 | 9SN | 0.483051 | 0.823529 |
121 | J4G | 0.482759 | 0.9125 |
122 | NSS | 0.482456 | 0.8 |
123 | A3R | 0.482456 | 0.925 |
124 | F2R | 0.48062 | 0.927711 |
125 | AOC | 0.480392 | 0.731707 |
126 | WSA | 0.48 | 0.788889 |
127 | LAQ | 0.479675 | 0.858824 |
128 | 5N5 | 0.478723 | 0.772152 |
129 | BIS | 0.478632 | 0.855422 |
130 | 2SA | 0.477477 | 0.9 |
131 | 5X8 | 0.476636 | 0.765432 |
132 | SFG | 0.476636 | 0.775 |
133 | YLA | 0.476562 | 0.927711 |
134 | 5AS | 0.47619 | 0.78022 |
135 | LPA AMP | 0.475806 | 0.837209 |
136 | 48N | 0.475806 | 0.86747 |
137 | 25L | 0.474576 | 0.851852 |
138 | 9X8 | 0.474138 | 0.843373 |
139 | OZV | 0.473684 | 0.8625 |
140 | 6V0 | 0.472 | 0.845238 |
141 | DND | 0.472 | 0.876543 |
142 | TAD | 0.471545 | 0.835294 |
143 | YLY | 0.470149 | 0.916667 |
144 | 80F | 0.469697 | 0.83908 |
145 | ADQ | 0.469565 | 0.8875 |
146 | IOT | 0.46875 | 0.916667 |
147 | OMR | 0.468254 | 0.870588 |
148 | TXE | 0.468254 | 0.878049 |
149 | B5Y | 0.466667 | 0.843373 |
150 | B5M | 0.466667 | 0.843373 |
151 | COD | 0.465649 | 0.895349 |
152 | NVA LMS | 0.465517 | 0.774194 |
153 | 8X1 | 0.464912 | 0.813187 |
154 | 4UU | 0.463415 | 0.843373 |
155 | AR6 AR6 | 0.463415 | 0.839506 |
156 | BT5 | 0.462121 | 0.872093 |
157 | ADP BMA | 0.461538 | 0.864198 |
158 | NAX | 0.460317 | 0.869048 |
159 | TXD | 0.460317 | 0.878049 |
160 | S7M | 0.460177 | 0.715909 |
161 | N0B | 0.459854 | 0.927711 |
162 | AMP DBH | 0.459016 | 0.819277 |
163 | 4UV | 0.459016 | 0.843373 |
164 | 5CD | 0.458333 | 0.716049 |
165 | P5A | 0.457627 | 0.844444 |
166 | RAB | 0.457447 | 0.772152 |
167 | XYA | 0.457447 | 0.772152 |
168 | ADN | 0.457447 | 0.772152 |
169 | S4M | 0.457143 | 0.730337 |
170 | AHZ | 0.456 | 0.795455 |
171 | EEM | 0.455357 | 0.715909 |
172 | BTX | 0.454545 | 0.860465 |
173 | SA8 | 0.454545 | 0.752941 |
174 | 8PZ | 0.454545 | 0.8 |
175 | ADJ | 0.453846 | 0.870588 |
176 | NAD IBO | 0.453125 | 0.839506 |
177 | NAD TDB | 0.453125 | 0.839506 |
178 | AP0 | 0.453125 | 0.802326 |
179 | DSH | 0.451923 | 0.792683 |
180 | SAH | 0.45045 | 0.768293 |
181 | SAI | 0.45045 | 0.759036 |
182 | CNA | 0.450382 | 0.876543 |
183 | H1Q | 0.449541 | 0.804878 |
184 | 4UW | 0.448819 | 0.813953 |
185 | UP5 | 0.448819 | 0.843373 |
186 | DQV | 0.448 | 0.875 |
187 | 7D5 | 0.445545 | 0.783133 |
188 | ALF ADP 3PG | 0.445312 | 0.813953 |
189 | AF3 ADP 3PG | 0.445312 | 0.813953 |
190 | D4F | 0.445255 | 0.816092 |
191 | 0UM | 0.444444 | 0.807229 |
192 | A3S | 0.444444 | 0.810127 |
193 | A4D | 0.443299 | 0.75 |
194 | KMQ | 0.442623 | 0.853659 |
195 | AAT | 0.442478 | 0.77381 |
196 | 6RE | 0.442308 | 0.761905 |
197 | L3W | 0.44186 | 0.853659 |
198 | 4TC | 0.44186 | 0.845238 |
199 | 3DH | 0.441176 | 0.690476 |
200 | 62X | 0.440678 | 0.75 |
201 | G5P | 0.44 | 0.823529 |
202 | AFH | 0.44 | 0.857143 |
203 | DTA | 0.44 | 0.702381 |
204 | GA7 | 0.44 | 0.853659 |
205 | M2T | 0.44 | 0.659091 |
206 | LEU LMS | 0.436975 | 0.752688 |
207 | K15 | 0.436975 | 0.767442 |
208 | GTA | 0.436508 | 0.795455 |
209 | 4YB | 0.436508 | 0.802198 |
210 | MTA | 0.435644 | 0.690476 |
211 | SMM | 0.434783 | 0.711111 |
212 | J7C | 0.433962 | 0.771084 |
213 | NAJ PZO | 0.433824 | 0.802326 |
214 | SAM | 0.433628 | 0.715909 |
215 | AMP NAD | 0.432836 | 0.851852 |
216 | NAD | 0.432836 | 0.851852 |
217 | EAD | 0.432624 | 0.825581 |
218 | G3A | 0.432 | 0.823529 |
219 | T5A | 0.431818 | 0.83908 |
220 | NAJ PYZ | 0.431655 | 0.766667 |
221 | EP4 | 0.43 | 0.694118 |
222 | GJV | 0.429907 | 0.77381 |
223 | 6MZ | 0.429907 | 0.804878 |
224 | 7D3 | 0.429907 | 0.807229 |
225 | 9K8 | 0.429752 | 0.683673 |
226 | KOY | 0.429688 | 0.780488 |
227 | DZD | 0.42963 | 0.879518 |
228 | A4P | 0.427481 | 0.820225 |
229 | 7D4 | 0.427273 | 0.807229 |
230 | A3D | 0.426471 | 0.841463 |
231 | A3P | 0.425926 | 0.8375 |
232 | A2P | 0.425926 | 0.825 |
233 | PO4 PO4 A A A A PO4 | 0.425 | 0.802469 |
234 | A3G | 0.424528 | 0.822785 |
235 | K3E | 0.424 | 0.75 |
236 | A3T | 0.423423 | 0.775 |
237 | 649 | 0.423077 | 0.804348 |
238 | HZ2 | 0.421875 | 0.841463 |
239 | 3NZ | 0.421488 | 0.783133 |
240 | NAQ | 0.421429 | 0.802326 |
241 | V3L | 0.421053 | 0.8625 |
242 | 6IA | 0.421053 | 0.835294 |
243 | P1H | 0.42069 | 0.827586 |
244 | A3N | 0.420561 | 0.743902 |
245 | IMO | 0.420561 | 0.802469 |
246 | 8Q2 | 0.419847 | 0.774194 |
247 | UPA | 0.419847 | 0.855422 |
248 | 2A5 | 0.419643 | 0.8875 |
249 | K2R | 0.418033 | 0.851852 |
250 | N5A | 0.416667 | 0.78481 |
251 | KYE | 0.416 | 0.8 |
252 | B1U | 0.416 | 0.704082 |
253 | ATR | 0.415929 | 0.8375 |
254 | PAP | 0.415929 | 0.85 |
255 | HY8 | 0.415385 | 0.841463 |
256 | D3Y | 0.415254 | 0.790123 |
257 | KY2 | 0.415254 | 0.776471 |
258 | FB0 | 0.414966 | 0.865169 |
259 | KB1 | 0.414634 | 0.744186 |
260 | NWW | 0.414141 | 0.696203 |
261 | KH3 | 0.414062 | 0.77907 |
262 | MAO | 0.412844 | 0.781609 |
263 | 6C6 | 0.412281 | 0.876543 |
264 | 4TA | 0.411765 | 0.806818 |
265 | NEC | 0.411215 | 0.728395 |
266 | 2VA | 0.410714 | 0.756098 |
267 | 139 | 0.410448 | 0.869048 |
268 | V47 | 0.410256 | 0.7625 |
269 | 3AM | 0.409524 | 0.825 |
270 | 7C5 | 0.409449 | 0.752941 |
271 | Q34 | 0.409091 | 0.738636 |
272 | ZID | 0.408451 | 0.841463 |
273 | KYB | 0.408333 | 0.776471 |
274 | K3K | 0.408 | 0.738095 |
275 | NO7 | 0.40678 | 0.853659 |
276 | SXZ | 0.406504 | 0.755814 |
277 | ZAS | 0.40566 | 0.746988 |
278 | A7D | 0.405405 | 0.756098 |
279 | NAE | 0.404255 | 0.821429 |
280 | KXW | 0.403101 | 0.817073 |
281 | MHZ | 0.401786 | 0.781609 |
282 | OK8 | 0.401709 | 0.851852 |
283 | NWQ | 0.4 | 0.679012 |
284 | 2AM | 0.4 | 0.8375 |
285 | O02 | 0.4 | 0.845238 |
286 | QXP | 0.4 | 0.766667 |
287 | VRT | 0.4 | 0.792683 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 3tlc.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 3tlc.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |