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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 | DSZ | 1 | 1 |
2 | SSA | 0.833333 | 0.97619 |
3 | 5CA | 0.813953 | 0.97619 |
4 | GSU | 0.808989 | 0.97619 |
5 | LSS | 0.795455 | 0.931035 |
6 | 54H | 0.781609 | 0.918605 |
7 | VMS | 0.781609 | 0.918605 |
8 | A5A | 0.77907 | 0.940476 |
9 | KAA | 0.769231 | 0.920455 |
10 | TSB | 0.752809 | 0.952381 |
11 | 53H | 0.752809 | 0.908046 |
12 | 52H | 0.741573 | 0.908046 |
13 | NSS | 0.736264 | 0.97619 |
14 | YSA | 0.729167 | 0.952941 |
15 | G5A | 0.724138 | 0.952941 |
16 | NVA LMS | 0.709677 | 0.920455 |
17 | 8X1 | 0.677419 | 0.920455 |
18 | WSA | 0.673077 | 0.964286 |
19 | 5AS | 0.655172 | 0.886364 |
20 | 8PZ | 0.65 | 0.97619 |
21 | P5A | 0.642857 | 0.910112 |
22 | LMS | 0.623529 | 0.939759 |
23 | 7MD | 0.609524 | 0.820225 |
24 | 4YB | 0.603774 | 0.953488 |
25 | RSN | 0.598039 | 0.964286 |
26 | B1U | 0.596154 | 0.858696 |
27 | AMO | 0.59596 | 0.857143 |
28 | 8Q2 | 0.590909 | 0.942529 |
29 | 5X8 | 0.56383 | 0.75 |
30 | SON | 0.55914 | 0.813953 |
31 | AHX | 0.558824 | 0.827586 |
32 | 649 | 0.553571 | 0.910112 |
33 | V2G | 0.55102 | 0.806818 |
34 | 5AL | 0.55102 | 0.811765 |
35 | A | 0.550562 | 0.776471 |
36 | AMP | 0.550562 | 0.776471 |
37 | KG4 | 0.547368 | 0.823529 |
38 | QA7 | 0.544554 | 0.784091 |
39 | AMP MG | 0.544444 | 0.764706 |
40 | SRP | 0.54 | 0.835294 |
41 | LEU LMS | 0.538462 | 0.876405 |
42 | XAH | 0.537037 | 0.78022 |
43 | CA0 | 0.536842 | 0.823529 |
44 | SLU | 0.533333 | 0.897727 |
45 | 45A | 0.532609 | 0.758621 |
46 | ABM | 0.532609 | 0.758621 |
47 | A2D | 0.532609 | 0.8 |
48 | SAH | 0.530612 | 0.732558 |
49 | NB8 | 0.528302 | 0.848837 |
50 | SRA | 0.527473 | 0.802326 |
51 | AN2 | 0.526316 | 0.811765 |
52 | AOC | 0.521739 | 0.697674 |
53 | A12 | 0.521277 | 0.793103 |
54 | BA3 | 0.521277 | 0.8 |
55 | AP2 | 0.521277 | 0.793103 |
56 | ADX | 0.520833 | 0.916667 |
57 | AU1 | 0.520833 | 0.802326 |
58 | SA8 | 0.520408 | 0.681319 |
59 | XYA | 0.518072 | 0.714286 |
60 | ADN | 0.518072 | 0.714286 |
61 | RAB | 0.518072 | 0.714286 |
62 | 5CD | 0.517647 | 0.682353 |
63 | AP5 | 0.515789 | 0.8 |
64 | ADP | 0.515789 | 0.8 |
65 | B4P | 0.515789 | 0.8 |
66 | 50T | 0.515464 | 0.770115 |
67 | SFG | 0.515464 | 0.717647 |
68 | 8LQ | 0.514563 | 0.813953 |
69 | TXA | 0.514019 | 0.813953 |
70 | 3DH | 0.511111 | 0.678161 |
71 | AT4 | 0.510417 | 0.813953 |
72 | ADP MG | 0.510417 | 0.776471 |
73 | ADP BEF | 0.510417 | 0.776471 |
74 | GAP | 0.51 | 0.781609 |
75 | S7M | 0.509804 | 0.703297 |
76 | 8LH | 0.509804 | 0.793103 |
77 | 9ZA | 0.509615 | 0.795455 |
78 | 8QN | 0.509615 | 0.811765 |
79 | 9ZD | 0.509615 | 0.795455 |
80 | 7MC | 0.508621 | 0.802198 |
81 | 5N5 | 0.505882 | 0.694118 |
82 | M33 | 0.505155 | 0.790698 |
83 | ADP PO3 | 0.50505 | 0.776471 |
84 | ATP MG | 0.50505 | 0.776471 |
85 | EEM | 0.504951 | 0.666667 |
86 | 8LE | 0.504951 | 0.784091 |
87 | 4AD | 0.504762 | 0.847059 |
88 | LAD | 0.504673 | 0.797753 |
89 | WAQ | 0.504673 | 0.795455 |
90 | HEJ | 0.5 | 0.8 |
91 | A4D | 0.5 | 0.714286 |
92 | SAI | 0.5 | 0.704545 |
93 | ME8 | 0.5 | 0.8 |
94 | ATP | 0.5 | 0.8 |
95 | DAL AMP | 0.5 | 0.790698 |
96 | ACP | 0.5 | 0.802326 |
97 | ANP | 0.49505 | 0.802326 |
98 | APC | 0.494949 | 0.793103 |
99 | PRX | 0.494949 | 0.741573 |
100 | 5FA | 0.494949 | 0.8 |
101 | AQP | 0.494949 | 0.8 |
102 | APR | 0.494949 | 0.821429 |
103 | AR6 | 0.494949 | 0.821429 |
104 | DTA | 0.494382 | 0.709302 |
105 | PR8 | 0.490741 | 0.788889 |
106 | J4G | 0.490741 | 0.825581 |
107 | RUZ | 0.490566 | 0.952381 |
108 | 0UM | 0.490566 | 0.673913 |
109 | PAJ | 0.490566 | 0.777778 |
110 | ADV | 0.49 | 0.813953 |
111 | AGS | 0.49 | 0.825581 |
112 | APC MG | 0.49 | 0.758621 |
113 | RBY | 0.49 | 0.813953 |
114 | AD9 | 0.49 | 0.781609 |
115 | MTA | 0.488889 | 0.678161 |
116 | FA5 | 0.486486 | 0.835294 |
117 | 9K8 | 0.486239 | 0.778947 |
118 | DLL | 0.485981 | 0.811765 |
119 | ANP MG | 0.485437 | 0.790698 |
120 | BEF ADP | 0.485149 | 0.758621 |
121 | H1Q | 0.484848 | 0.767442 |
122 | EP4 | 0.483146 | 0.644444 |
123 | 3UK | 0.481481 | 0.802326 |
124 | OOB | 0.481132 | 0.811765 |
125 | QXP | 0.481132 | 0.852273 |
126 | SMM | 0.480769 | 0.698925 |
127 | SAM | 0.480392 | 0.703297 |
128 | TAT | 0.480392 | 0.813953 |
129 | T99 | 0.480392 | 0.813953 |
130 | ACQ | 0.480392 | 0.802326 |
131 | A3S | 0.479592 | 0.75 |
132 | 6RE | 0.478723 | 0.67033 |
133 | M2T | 0.477778 | 0.666667 |
134 | 9SN | 0.477477 | 0.766667 |
135 | A1R | 0.476636 | 0.795455 |
136 | FYA | 0.472727 | 0.790698 |
137 | PTJ | 0.472727 | 0.766667 |
138 | SXZ | 0.472727 | 0.703297 |
139 | 3OD | 0.472727 | 0.823529 |
140 | JNT | 0.472222 | 0.802326 |
141 | 00A | 0.472222 | 0.775281 |
142 | A22 | 0.471698 | 0.790698 |
143 | MAP | 0.471698 | 0.784091 |
144 | VO4 ADP | 0.471154 | 0.761364 |
145 | ALF ADP | 0.471154 | 0.725275 |
146 | ATF | 0.471154 | 0.772727 |
147 | 48N | 0.470085 | 0.806818 |
148 | YLP | 0.470085 | 0.763441 |
149 | J7C | 0.46875 | 0.677778 |
150 | A3N | 0.46875 | 0.670455 |
151 | RRW | 0.468468 | 0.897727 |
152 | K15 | 0.46789 | 0.659574 |
153 | OAD | 0.46789 | 0.823529 |
154 | 25A | 0.46729 | 0.77907 |
155 | 6YZ | 0.466667 | 0.802326 |
156 | DND | 0.466102 | 0.813953 |
157 | NWW | 0.465909 | 0.662651 |
158 | A7D | 0.464646 | 0.701149 |
159 | GJV | 0.463918 | 0.663043 |
160 | B5V | 0.463636 | 0.793103 |
161 | F2R | 0.463415 | 0.782609 |
162 | ADQ | 0.462963 | 0.802326 |
163 | A3R | 0.462963 | 0.795455 |
164 | HQG | 0.462264 | 0.811765 |
165 | TYM | 0.462185 | 0.835294 |
166 | 1ZZ | 0.459459 | 0.741935 |
167 | MAO | 0.459184 | 0.709677 |
168 | 62X | 0.458716 | 0.645833 |
169 | DSH | 0.458333 | 0.677778 |
170 | YLB | 0.458333 | 0.763441 |
171 | YLC | 0.458333 | 0.78022 |
172 | KOY | 0.457627 | 0.724138 |
173 | ARG AMP | 0.456897 | 0.752688 |
174 | A3T | 0.455446 | 0.717647 |
175 | MYR AMP | 0.455357 | 0.723404 |
176 | ADP BMA | 0.454545 | 0.781609 |
177 | 9X8 | 0.454545 | 0.825581 |
178 | QXG | 0.454545 | 0.842697 |
179 | 6V0 | 0.453782 | 0.766667 |
180 | 5SV | 0.453704 | 0.709677 |
181 | OZV | 0.453704 | 0.8 |
182 | TAD | 0.452991 | 0.797753 |
183 | ZAS | 0.452632 | 0.693182 |
184 | AMP DBH | 0.452174 | 0.761364 |
185 | IOT | 0.45082 | 0.755319 |
186 | R2V | 0.45045 | 0.852273 |
187 | TXE | 0.45 | 0.775281 |
188 | LAQ | 0.449153 | 0.78022 |
189 | HZ2 | 0.449153 | 0.703297 |
190 | S4M | 0.44898 | 0.645833 |
191 | 7C5 | 0.448276 | 0.719101 |
192 | ATP A A A | 0.447368 | 0.767442 |
193 | B5M | 0.447368 | 0.784091 |
194 | ATP A | 0.447368 | 0.767442 |
195 | B5Y | 0.447368 | 0.784091 |
196 | YLA | 0.447154 | 0.763441 |
197 | JB6 | 0.446429 | 0.795455 |
198 | BIS | 0.446429 | 0.755556 |
199 | NAD IBO | 0.446281 | 0.77907 |
200 | NAD TDB | 0.446281 | 0.77907 |
201 | MHZ | 0.445545 | 0.65625 |
202 | LPA AMP | 0.445378 | 0.76087 |
203 | 4UU | 0.444444 | 0.784091 |
204 | AYB | 0.443548 | 0.755319 |
205 | KYE | 0.443478 | 0.670213 |
206 | 2SA | 0.443396 | 0.835294 |
207 | NEC | 0.443299 | 0.655172 |
208 | A3G | 0.443299 | 0.741176 |
209 | KB1 | 0.442478 | 0.673913 |
210 | 25L | 0.442478 | 0.790698 |
211 | VRT | 0.442308 | 0.715909 |
212 | EU9 | 0.441667 | 0.715789 |
213 | NAX | 0.441667 | 0.788889 |
214 | HY8 | 0.441667 | 0.703297 |
215 | TXD | 0.441667 | 0.775281 |
216 | 2VA | 0.441176 | 0.701149 |
217 | RRB | 0.440678 | 0.918605 |
218 | KXW | 0.440678 | 0.681319 |
219 | 4UV | 0.439655 | 0.784091 |
220 | V47 | 0.439252 | 0.705882 |
221 | ALF ADP 3PG | 0.438017 | 0.758242 |
222 | 3NZ | 0.4375 | 0.727273 |
223 | KMQ | 0.434783 | 0.793103 |
224 | EO7 | 0.434343 | 0.896552 |
225 | GA7 | 0.432203 | 0.772727 |
226 | CNA | 0.432 | 0.813953 |
227 | NWQ | 0.431579 | 0.647059 |
228 | D3Y | 0.431193 | 0.732558 |
229 | YLY | 0.430769 | 0.755319 |
230 | 4UW | 0.429752 | 0.758242 |
231 | NAI | 0.429752 | 0.775281 |
232 | 80F | 0.429688 | 0.802198 |
233 | DQV | 0.428571 | 0.811765 |
234 | N5O | 0.428571 | 0.709302 |
235 | KH3 | 0.428571 | 0.652632 |
236 | S8M | 0.427273 | 0.727273 |
237 | GEK | 0.427273 | 0.747126 |
238 | 3AM | 0.427083 | 0.744186 |
239 | OMR | 0.42623 | 0.752688 |
240 | AF3 ADP 3PG | 0.42623 | 0.758242 |
241 | 5AD | 0.425287 | 0.630952 |
242 | COD | 0.425197 | 0.757895 |
243 | AMP NAD | 0.425197 | 0.790698 |
244 | NAD | 0.425197 | 0.790698 |
245 | AHZ | 0.425 | 0.741935 |
246 | Q2M | 0.422764 | 0.684783 |
247 | L3W | 0.422764 | 0.793103 |
248 | Q34 | 0.422764 | 0.652632 |
249 | K3K | 0.422414 | 0.685393 |
250 | Y3J | 0.422222 | 0.616279 |
251 | U4Y | 0.421488 | 0.727273 |
252 | N0B | 0.421053 | 0.763441 |
253 | 7D5 | 0.421053 | 0.707865 |
254 | 7D7 | 0.420455 | 0.632184 |
255 | AFH | 0.420168 | 0.777778 |
256 | AR6 AR6 | 0.420168 | 0.77907 |
257 | N5A | 0.42 | 0.686047 |
258 | A4P | 0.419355 | 0.729167 |
259 | A5D | 0.419048 | 0.709302 |
260 | A3D | 0.418605 | 0.781609 |
261 | GTA | 0.416667 | 0.741935 |
262 | A2P | 0.415842 | 0.764706 |
263 | A3P | 0.415842 | 0.776471 |
264 | K3E | 0.415254 | 0.677778 |
265 | SO8 | 0.415094 | 0.693182 |
266 | Q2V | 0.412698 | 0.673913 |
267 | ADJ | 0.412698 | 0.752688 |
268 | 594 | 0.412214 | 0.833333 |
269 | G3A | 0.411765 | 0.766667 |
270 | AP0 | 0.41129 | 0.747253 |
271 | NX8 | 0.411215 | 0.67033 |
272 | BT5 | 0.410853 | 0.774194 |
273 | OZP | 0.409836 | 0.7 |
274 | TT8 | 0.409091 | 0.715909 |
275 | G5P | 0.408333 | 0.766667 |
276 | AAT | 0.407407 | 0.663043 |
277 | UP5 | 0.406504 | 0.784091 |
278 | D4F | 0.406015 | 0.78022 |
279 | 6MZ | 0.405941 | 0.747126 |
280 | NVA 2AD | 0.40566 | 0.707865 |
281 | KY2 | 0.405405 | 0.648936 |
282 | NAJ PZO | 0.40458 | 0.747253 |
283 | N37 | 0.403226 | 0.704545 |
284 | Q2P | 0.403101 | 0.652632 |
285 | 3AD | 0.402174 | 0.702381 |
286 | 2AM | 0.402062 | 0.755814 |
287 | 139 | 0.401575 | 0.769231 |
288 | T5A | 0.401575 | 0.763441 |
289 | UPA | 0.4 | 0.775281 |
290 | F0P | 0.4 | 0.7 |
291 | DZD | 0.4 | 0.777778 |
292 | K2K | 0.4 | 0.67033 |
293 | 4TC | 0.4 | 0.786517 |
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 |