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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 3HXX | - | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
2 | 3HXU | - | A5A | C13 H19 N7 O7 S | C[C@@H](C(.... |
3 | 3HXW | - | SSA | C13 H19 N7 O8 S | c1nc(c2c(n.... |
4 | 3HXZ | - | A5A | C13 H19 N7 O7 S | C[C@@H](C(.... |
5 | 3HXV | - | G5A | C12 H17 N7 O7 S | c1nc(c2c(n.... |
6 | 3HXY | - | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
7 | 3HY0 | - | G5A | C12 H17 N7 O7 S | c1nc(c2c(n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 3HXX | - | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
2 | 3HXU | - | A5A | C13 H19 N7 O7 S | C[C@@H](C(.... |
3 | 3HXW | - | SSA | C13 H19 N7 O8 S | c1nc(c2c(n.... |
4 | 3HXZ | - | A5A | C13 H19 N7 O7 S | C[C@@H](C(.... |
5 | 3HXV | - | G5A | C12 H17 N7 O7 S | c1nc(c2c(n.... |
6 | 3HXY | - | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
7 | 3HY0 | - | G5A | C12 H17 N7 O7 S | c1nc(c2c(n.... |
8 | 5V59 | - | 8X1 | C14 H19 N7 O7 S | c1nc(c2c(n.... |
9 | 1YFS | - | ALA | C3 H7 N O2 | C[C@@H](C(.... |
10 | 1YGB | - | SER | C3 H7 N O3 | C([C@@H](C.... |
11 | 1YFT | - | GLY | C2 H5 N O2 | C(C(=O)O)N |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | G5A | 1 | 1 |
2 | A5A | 0.746988 | 0.940476 |
3 | SSA | 0.738095 | 0.97619 |
4 | 52H | 0.729412 | 0.908046 |
5 | 54H | 0.729412 | 0.918605 |
6 | VMS | 0.729412 | 0.918605 |
7 | NSS | 0.724138 | 0.952941 |
8 | DSZ | 0.724138 | 0.952941 |
9 | 5AS | 0.721519 | 0.930233 |
10 | 8X1 | 0.72093 | 0.965116 |
11 | 5CA | 0.72093 | 0.97619 |
12 | 53H | 0.72093 | 0.908046 |
13 | TSB | 0.72093 | 0.929412 |
14 | NVA LMS | 0.715909 | 0.920455 |
15 | 8PZ | 0.706522 | 0.952941 |
16 | LSS | 0.704545 | 0.931035 |
17 | KAA | 0.7 | 0.965116 |
18 | LMS | 0.688312 | 0.939759 |
19 | GSU | 0.681319 | 0.952941 |
20 | P5A | 0.681319 | 0.954023 |
21 | 4YB | 0.670103 | 0.931035 |
22 | YSA | 0.645833 | 0.952941 |
23 | B1U | 0.645833 | 0.858696 |
24 | 649 | 0.643564 | 0.910112 |
25 | 8Q2 | 0.637255 | 0.920455 |
26 | A | 0.604938 | 0.776471 |
27 | AMP | 0.604938 | 0.776471 |
28 | AMP MG | 0.597561 | 0.764706 |
29 | SRA | 0.597561 | 0.802326 |
30 | WSA | 0.596154 | 0.964286 |
31 | SON | 0.593023 | 0.793103 |
32 | CA0 | 0.586207 | 0.781609 |
33 | LEU LMS | 0.583333 | 0.855556 |
34 | A2D | 0.583333 | 0.77907 |
35 | ABM | 0.583333 | 0.758621 |
36 | 45A | 0.583333 | 0.758621 |
37 | KG4 | 0.579545 | 0.781609 |
38 | 5N5 | 0.578947 | 0.714286 |
39 | RAB | 0.573333 | 0.714286 |
40 | ADN | 0.573333 | 0.714286 |
41 | XYA | 0.573333 | 0.714286 |
42 | 5CD | 0.571429 | 0.682353 |
43 | GAP | 0.571429 | 0.802326 |
44 | AOC | 0.571429 | 0.697674 |
45 | A12 | 0.569767 | 0.772727 |
46 | BA3 | 0.569767 | 0.77907 |
47 | AP2 | 0.569767 | 0.772727 |
48 | AU1 | 0.568182 | 0.781609 |
49 | ADX | 0.568182 | 0.894118 |
50 | V2G | 0.565217 | 0.827586 |
51 | B4P | 0.563218 | 0.77907 |
52 | ADP | 0.563218 | 0.77907 |
53 | AP5 | 0.563218 | 0.77907 |
54 | 50T | 0.561798 | 0.75 |
55 | 3DH | 0.560976 | 0.678161 |
56 | QA7 | 0.557895 | 0.764045 |
57 | ADP MG | 0.556818 | 0.776471 |
58 | AT4 | 0.556818 | 0.793103 |
59 | ADP BEF | 0.556818 | 0.776471 |
60 | AN2 | 0.556818 | 0.790698 |
61 | APR | 0.555556 | 0.77907 |
62 | AR6 | 0.555556 | 0.77907 |
63 | A3G | 0.552941 | 0.761905 |
64 | A4D | 0.551282 | 0.714286 |
65 | M33 | 0.550562 | 0.770115 |
66 | ADV | 0.549451 | 0.772727 |
67 | RBY | 0.549451 | 0.772727 |
68 | AGS | 0.549451 | 0.804598 |
69 | 5AL | 0.548387 | 0.790698 |
70 | 8LE | 0.548387 | 0.764045 |
71 | ACP | 0.544444 | 0.781609 |
72 | HEJ | 0.544444 | 0.77907 |
73 | ATP | 0.544444 | 0.77907 |
74 | 5X8 | 0.544444 | 0.729412 |
75 | SLU | 0.54386 | 0.897727 |
76 | DTA | 0.54321 | 0.709302 |
77 | DAL AMP | 0.541667 | 0.770115 |
78 | AHX | 0.540816 | 0.827586 |
79 | TXA | 0.54 | 0.772727 |
80 | PRX | 0.538462 | 0.741573 |
81 | 5FA | 0.538462 | 0.77907 |
82 | AQP | 0.538462 | 0.77907 |
83 | APC | 0.538462 | 0.772727 |
84 | ANP | 0.537634 | 0.781609 |
85 | SRP | 0.536842 | 0.835294 |
86 | 8LH | 0.536842 | 0.793103 |
87 | 9ZA | 0.536082 | 0.775281 |
88 | 9ZD | 0.536082 | 0.775281 |
89 | ATP MG | 0.532609 | 0.776471 |
90 | AD9 | 0.532609 | 0.761364 |
91 | ADP PO3 | 0.532609 | 0.776471 |
92 | APC MG | 0.532609 | 0.758621 |
93 | HQG | 0.53125 | 0.770115 |
94 | EP4 | 0.530864 | 0.662921 |
95 | AMO | 0.530612 | 0.813953 |
96 | 4AD | 0.530612 | 0.804598 |
97 | H1Q | 0.527473 | 0.767442 |
98 | BEF ADP | 0.526882 | 0.758621 |
99 | ANP MG | 0.526316 | 0.790698 |
100 | 8LQ | 0.525773 | 0.793103 |
101 | DLL | 0.525253 | 0.790698 |
102 | NB8 | 0.524752 | 0.806818 |
103 | M2T | 0.52439 | 0.666667 |
104 | 6RE | 0.523256 | 0.707865 |
105 | T99 | 0.521277 | 0.793103 |
106 | TAT | 0.521277 | 0.793103 |
107 | ACQ | 0.521277 | 0.781609 |
108 | OOB | 0.520408 | 0.790698 |
109 | QXP | 0.520408 | 0.873563 |
110 | 8QN | 0.520408 | 0.790698 |
111 | 3UK | 0.52 | 0.781609 |
112 | MTA | 0.518072 | 0.678161 |
113 | DSH | 0.517241 | 0.715909 |
114 | PAJ | 0.515152 | 0.758242 |
115 | ADQ | 0.515152 | 0.781609 |
116 | LAD | 0.514852 | 0.818182 |
117 | NWW | 0.5125 | 0.642857 |
118 | J7C | 0.511364 | 0.715909 |
119 | A3N | 0.511364 | 0.689655 |
120 | VO4 ADP | 0.510417 | 0.761364 |
121 | ALF ADP | 0.510417 | 0.725275 |
122 | ATF | 0.510417 | 0.752809 |
123 | MAP | 0.510204 | 0.764045 |
124 | A22 | 0.510204 | 0.770115 |
125 | 00A | 0.51 | 0.755556 |
126 | 3OD | 0.509804 | 0.781609 |
127 | 9K8 | 0.509804 | 0.760417 |
128 | GJV | 0.505618 | 0.7 |
129 | S4M | 0.505618 | 0.680851 |
130 | 6YZ | 0.505155 | 0.781609 |
131 | 5SV | 0.50505 | 0.709677 |
132 | 25A | 0.50505 | 0.77907 |
133 | OAD | 0.504951 | 0.781609 |
134 | QXG | 0.504951 | 0.863636 |
135 | XAH | 0.504762 | 0.820225 |
136 | 7MD | 0.504673 | 0.820225 |
137 | WAQ | 0.5 | 0.775281 |
138 | SA8 | 0.5 | 0.681319 |
139 | 9SN | 0.5 | 0.747253 |
140 | PR8 | 0.5 | 0.808989 |
141 | B5V | 0.5 | 0.772727 |
142 | 1ZZ | 0.495146 | 0.723404 |
143 | ME8 | 0.495146 | 0.78022 |
144 | PTJ | 0.495146 | 0.747253 |
145 | SAH | 0.494737 | 0.712644 |
146 | SFG | 0.494624 | 0.697674 |
147 | ZAS | 0.494253 | 0.712644 |
148 | ARG AMP | 0.490741 | 0.771739 |
149 | MYR AMP | 0.490385 | 0.705263 |
150 | 9X8 | 0.490196 | 0.784091 |
151 | ADP BMA | 0.490196 | 0.761364 |
152 | OZV | 0.49 | 0.77907 |
153 | R2V | 0.485437 | 0.873563 |
154 | A3R | 0.485149 | 0.816092 |
155 | A1R | 0.485149 | 0.816092 |
156 | EEM | 0.484536 | 0.648936 |
157 | MAO | 0.483516 | 0.728261 |
158 | NEC | 0.483146 | 0.674419 |
159 | 7C5 | 0.481481 | 0.7 |
160 | FA5 | 0.481132 | 0.813953 |
161 | B5Y | 0.481132 | 0.764045 |
162 | B5M | 0.481132 | 0.764045 |
163 | BIS | 0.480769 | 0.736264 |
164 | SXZ | 0.480769 | 0.684783 |
165 | JNT | 0.480392 | 0.802326 |
166 | SAI | 0.479167 | 0.685393 |
167 | YLP | 0.477477 | 0.782609 |
168 | 25L | 0.47619 | 0.770115 |
169 | 594 | 0.475 | 0.833333 |
170 | SMM | 0.474747 | 0.680851 |
171 | S7M | 0.474747 | 0.684783 |
172 | SAM | 0.474227 | 0.684783 |
173 | 6V0 | 0.473214 | 0.766667 |
174 | A7D | 0.473118 | 0.72093 |
175 | TAD | 0.472727 | 0.777778 |
176 | EO7 | 0.472527 | 0.896552 |
177 | N5A | 0.472527 | 0.705882 |
178 | AMP DBH | 0.472222 | 0.722222 |
179 | 4UV | 0.472222 | 0.764045 |
180 | NWQ | 0.471264 | 0.627907 |
181 | LAQ | 0.468468 | 0.76087 |
182 | 5AD | 0.468354 | 0.630952 |
183 | MHZ | 0.468085 | 0.691489 |
184 | KMQ | 0.46729 | 0.752809 |
185 | N5O | 0.466667 | 0.729412 |
186 | JB6 | 0.466667 | 0.795455 |
187 | FYA | 0.466667 | 0.790698 |
188 | 3AM | 0.465909 | 0.764706 |
189 | YLB | 0.464912 | 0.782609 |
190 | 7MC | 0.464912 | 0.802198 |
191 | LPA AMP | 0.464286 | 0.741935 |
192 | 48N | 0.464286 | 0.766667 |
193 | KOY | 0.464286 | 0.704545 |
194 | AR6 AR6 | 0.463636 | 0.758621 |
195 | 4UU | 0.463636 | 0.764045 |
196 | GEK | 0.460784 | 0.727273 |
197 | DND | 0.460177 | 0.772727 |
198 | NAX | 0.460177 | 0.769231 |
199 | V47 | 0.46 | 0.686047 |
200 | DQV | 0.459459 | 0.790698 |
201 | A3S | 0.457447 | 0.75 |
202 | 0UM | 0.456311 | 0.692308 |
203 | TXE | 0.45614 | 0.775281 |
204 | OMR | 0.45614 | 0.715789 |
205 | ALF ADP 3PG | 0.45614 | 0.73913 |
206 | AF3 ADP 3PG | 0.45614 | 0.73913 |
207 | AHZ | 0.455357 | 0.723404 |
208 | AAT | 0.454545 | 0.7 |
209 | ATP A A A | 0.453704 | 0.767442 |
210 | ATP A | 0.453704 | 0.767442 |
211 | A5D | 0.453608 | 0.709302 |
212 | NAD TDB | 0.452174 | 0.77907 |
213 | NAD IBO | 0.452174 | 0.77907 |
214 | YLC | 0.452174 | 0.8 |
215 | A3P | 0.451613 | 0.776471 |
216 | A2P | 0.451613 | 0.764706 |
217 | KY2 | 0.45098 | 0.684783 |
218 | AFH | 0.45045 | 0.758242 |
219 | 67D | 0.449153 | 0.909091 |
220 | A3T | 0.447917 | 0.717647 |
221 | K15 | 0.447619 | 0.659574 |
222 | TXD | 0.447368 | 0.775281 |
223 | NAI | 0.447368 | 0.755556 |
224 | 4UW | 0.447368 | 0.73913 |
225 | Y3J | 0.445783 | 0.616279 |
226 | K3E | 0.445455 | 0.696629 |
227 | F2R | 0.445378 | 0.782609 |
228 | IOT | 0.444444 | 0.774194 |
229 | 7D7 | 0.444444 | 0.651163 |
230 | V3L | 0.444444 | 0.77907 |
231 | TYM | 0.443478 | 0.813953 |
232 | 7D5 | 0.443182 | 0.727273 |
233 | KYB | 0.442308 | 0.684783 |
234 | COD | 0.441667 | 0.776596 |
235 | G3A | 0.441441 | 0.747253 |
236 | YLA | 0.440678 | 0.782609 |
237 | K3K | 0.440367 | 0.685393 |
238 | L3W | 0.439655 | 0.772727 |
239 | 2AM | 0.438202 | 0.755814 |
240 | 62X | 0.438095 | 0.645833 |
241 | G5P | 0.4375 | 0.747253 |
242 | GA7 | 0.4375 | 0.772727 |
243 | CNA | 0.436975 | 0.793103 |
244 | AYB | 0.436975 | 0.774194 |
245 | UP5 | 0.434783 | 0.764045 |
246 | 590 | 0.434109 | 0.84375 |
247 | GTA | 0.433628 | 0.723404 |
248 | NAJ PZO | 0.430894 | 0.747253 |
249 | NX8 | 0.43 | 0.688889 |
250 | J4G | 0.429907 | 0.804598 |
251 | K2K | 0.429907 | 0.688889 |
252 | AMP NAD | 0.429752 | 0.770115 |
253 | NAD | 0.429752 | 0.790698 |
254 | UPA | 0.42735 | 0.775281 |
255 | 4TC | 0.42735 | 0.766667 |
256 | A2R | 0.427184 | 0.770115 |
257 | BT5 | 0.42623 | 0.755319 |
258 | DZD | 0.42623 | 0.777778 |
259 | U4Y | 0.426087 | 0.707865 |
260 | PPS | 0.425743 | 0.872093 |
261 | BS5 | 0.425 | 0.83871 |
262 | NVA 2AD | 0.424242 | 0.707865 |
263 | ATR | 0.424242 | 0.755814 |
264 | PAP | 0.424242 | 0.767442 |
265 | YLY | 0.424 | 0.774194 |
266 | OVE | 0.423913 | 0.770115 |
267 | A4P | 0.423729 | 0.747368 |
268 | 3AD | 0.423529 | 0.722892 |
269 | KYE | 0.423423 | 0.688172 |
270 | A3D | 0.422764 | 0.781609 |
271 | KB1 | 0.422018 | 0.673913 |
272 | A6D | 0.420561 | 0.677419 |
273 | S8M | 0.419048 | 0.727273 |
274 | 2VA | 0.418367 | 0.701149 |
275 | BTX | 0.418033 | 0.763441 |
276 | NAJ PYZ | 0.417323 | 0.715789 |
277 | T5A | 0.416667 | 0.744681 |
278 | KY8 | 0.416667 | 0.7 |
279 | 3NZ | 0.416667 | 0.727273 |
280 | 139 | 0.416667 | 0.769231 |
281 | AP0 | 0.415254 | 0.728261 |
282 | RUZ | 0.415094 | 0.952381 |
283 | NWZ | 0.414141 | 0.677778 |
284 | 2A5 | 0.414141 | 0.761364 |
285 | N0B | 0.414062 | 0.782609 |
286 | M24 | 0.412698 | 0.75 |
287 | 80F | 0.41129 | 0.763441 |
288 | K2W | 0.410714 | 0.692308 |
289 | 7D3 | 0.410526 | 0.730337 |
290 | 6MZ | 0.410526 | 0.747126 |
291 | EU9 | 0.410256 | 0.697917 |
292 | CC5 | 0.409639 | 0.710843 |
293 | D3Y | 0.409524 | 0.732558 |
294 | NAE | 0.409449 | 0.764045 |
295 | RSN | 0.409091 | 0.941176 |
296 | KY5 | 0.409091 | 0.696629 |
297 | KH3 | 0.408696 | 0.670213 |
298 | KXW | 0.408696 | 0.7 |
299 | 7D4 | 0.408163 | 0.730337 |
300 | 4TA | 0.406504 | 0.734043 |
301 | NAQ | 0.40625 | 0.747253 |
302 | O02 | 0.405941 | 0.766667 |
303 | VRT | 0.405941 | 0.715909 |
304 | SO8 | 0.405941 | 0.693182 |
305 | K38 | 0.405405 | 0.685393 |
306 | HZ2 | 0.405172 | 0.703297 |
307 | ADJ | 0.404959 | 0.734043 |
308 | J1D | 0.403226 | 0.728155 |
309 | ZID | 0.403101 | 0.781609 |
310 | IMO | 0.4 | 0.744186 |
311 | KL2 | 0.4 | 0.712644 |
312 | FB0 | 0.4 | 0.734694 |
This union binding pocket(no: 1) in the query (biounit: 3hxu.bio1) has 24 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 3G1Z | AMP | 2.76074 |
2 | 3G1Z | AMP | 2.76074 |