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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
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- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 3AFH | - | GSU | C15 H21 N7 O9 S | c1nc(c2c(n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 3AFH | - | GSU | C15 H21 N7 O9 S | c1nc(c2c(n.... |
2 | 2CUZ | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
3 | 1N75 | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
4 | 1J09 | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | GSU | 1 | 1 |
2 | DSZ | 0.808989 | 0.97619 |
3 | SSA | 0.804598 | 0.952941 |
4 | KAA | 0.802198 | 0.942529 |
5 | 5CA | 0.786517 | 0.952941 |
6 | LSS | 0.769231 | 0.931035 |
7 | A5A | 0.752809 | 0.940476 |
8 | VMS | 0.736264 | 0.918605 |
9 | 54H | 0.736264 | 0.918605 |
10 | TSB | 0.728261 | 0.929412 |
11 | 53H | 0.728261 | 0.908046 |
12 | YSA | 0.72449 | 0.952941 |
13 | 52H | 0.717391 | 0.908046 |
14 | NVA LMS | 0.705263 | 0.942529 |
15 | NSS | 0.694737 | 0.952941 |
16 | G5A | 0.681319 | 0.952941 |
17 | WSA | 0.654206 | 0.964286 |
18 | 8X1 | 0.639175 | 0.942529 |
19 | 5AS | 0.633333 | 0.886364 |
20 | 8PZ | 0.631068 | 0.952941 |
21 | B1U | 0.609524 | 0.858696 |
22 | P5A | 0.607843 | 0.931818 |
23 | LMS | 0.602273 | 0.939759 |
24 | J4G | 0.592233 | 0.847059 |
25 | 4YB | 0.587156 | 0.976471 |
26 | 8Q2 | 0.575221 | 0.920455 |
27 | 649 | 0.566372 | 0.931818 |
28 | SON | 0.557895 | 0.813953 |
29 | XAH | 0.550459 | 0.8 |
30 | V2G | 0.55 | 0.806818 |
31 | 5X8 | 0.546392 | 0.75 |
32 | AHX | 0.542857 | 0.806818 |
33 | CA0 | 0.536082 | 0.802326 |
34 | 5AL | 0.534653 | 0.811765 |
35 | AMO | 0.533333 | 0.835294 |
36 | SLU | 0.532787 | 0.897727 |
37 | A | 0.532609 | 0.776471 |
38 | AMP | 0.532609 | 0.776471 |
39 | KG4 | 0.530612 | 0.802326 |
40 | SAH | 0.53 | 0.752941 |
41 | AMP MG | 0.526882 | 0.764706 |
42 | SRP | 0.524272 | 0.835294 |
43 | LEU LMS | 0.523364 | 0.876405 |
44 | 7MD | 0.522124 | 0.820225 |
45 | AOC | 0.521277 | 0.697674 |
46 | ADX | 0.520408 | 0.894118 |
47 | SA8 | 0.52 | 0.7 |
48 | WAQ | 0.518519 | 0.816092 |
49 | 45A | 0.515789 | 0.758621 |
50 | A2D | 0.515789 | 0.77907 |
51 | ABM | 0.515789 | 0.758621 |
52 | SFG | 0.515152 | 0.738095 |
53 | QA7 | 0.514286 | 0.784091 |
54 | SRA | 0.510638 | 0.802326 |
55 | AN2 | 0.510204 | 0.790698 |
56 | BA3 | 0.505155 | 0.77907 |
57 | AP2 | 0.505155 | 0.772727 |
58 | A12 | 0.505155 | 0.772727 |
59 | AU1 | 0.50505 | 0.781609 |
60 | LAD | 0.504587 | 0.818182 |
61 | AP5 | 0.5 | 0.77907 |
62 | SAI | 0.5 | 0.724138 |
63 | ME8 | 0.5 | 0.820225 |
64 | RAB | 0.5 | 0.694118 |
65 | ADP | 0.5 | 0.77907 |
66 | ADN | 0.5 | 0.694118 |
67 | 5CD | 0.5 | 0.682353 |
68 | XYA | 0.5 | 0.694118 |
69 | H1Q | 0.5 | 0.767442 |
70 | B4P | 0.5 | 0.77907 |
71 | TXA | 0.5 | 0.793103 |
72 | NB8 | 0.5 | 0.827586 |
73 | 8QN | 0.495327 | 0.811765 |
74 | 9ZD | 0.495327 | 0.795455 |
75 | 9ZA | 0.495327 | 0.795455 |
76 | S7M | 0.495238 | 0.722222 |
77 | 8LH | 0.495238 | 0.793103 |
78 | GAP | 0.495146 | 0.781609 |
79 | AT4 | 0.494949 | 0.793103 |
80 | ADP BEF | 0.494949 | 0.776471 |
81 | ADP MG | 0.494949 | 0.776471 |
82 | 3DH | 0.494624 | 0.678161 |
83 | EEM | 0.490385 | 0.684783 |
84 | 8LE | 0.490385 | 0.784091 |
85 | M33 | 0.49 | 0.770115 |
86 | 5N5 | 0.488636 | 0.674419 |
87 | DAL AMP | 0.485981 | 0.790698 |
88 | 8LQ | 0.485981 | 0.813953 |
89 | HEJ | 0.485149 | 0.77907 |
90 | ACP | 0.485149 | 0.781609 |
91 | 50T | 0.485149 | 0.75 |
92 | ATP | 0.485149 | 0.77907 |
93 | A4D | 0.483146 | 0.694118 |
94 | RSN | 0.482143 | 0.941176 |
95 | QXP | 0.481481 | 0.831461 |
96 | SMM | 0.481132 | 0.717391 |
97 | SAM | 0.480769 | 0.722222 |
98 | ANP | 0.480769 | 0.781609 |
99 | PRX | 0.480392 | 0.761364 |
100 | AR6 | 0.480392 | 0.8 |
101 | AQP | 0.480392 | 0.77907 |
102 | 5FA | 0.480392 | 0.77907 |
103 | APR | 0.480392 | 0.8 |
104 | APC | 0.480392 | 0.772727 |
105 | DTA | 0.478261 | 0.709302 |
106 | PAJ | 0.477064 | 0.758242 |
107 | RUZ | 0.477064 | 0.929412 |
108 | A1R | 0.477064 | 0.775281 |
109 | 4AD | 0.477064 | 0.825581 |
110 | 0UM | 0.477064 | 0.692308 |
111 | ATP MG | 0.475728 | 0.776471 |
112 | ADV | 0.475728 | 0.793103 |
113 | AD9 | 0.475728 | 0.761364 |
114 | RBY | 0.475728 | 0.793103 |
115 | AGS | 0.475728 | 0.804598 |
116 | APC MG | 0.475728 | 0.758621 |
117 | ADP PO3 | 0.475728 | 0.776471 |
118 | FA5 | 0.473684 | 0.835294 |
119 | 9K8 | 0.473214 | 0.778947 |
120 | DLL | 0.472727 | 0.811765 |
121 | ANP MG | 0.471698 | 0.790698 |
122 | ALF ADP | 0.471698 | 0.725275 |
123 | VO4 ADP | 0.471698 | 0.761364 |
124 | BEF ADP | 0.471154 | 0.758621 |
125 | YLB | 0.471074 | 0.782609 |
126 | 7MC | 0.471074 | 0.802198 |
127 | YLP | 0.470588 | 0.782609 |
128 | KB1 | 0.469027 | 0.692308 |
129 | 3UK | 0.468468 | 0.802326 |
130 | K15 | 0.468468 | 0.677419 |
131 | OOB | 0.46789 | 0.811765 |
132 | EP4 | 0.467391 | 0.644444 |
133 | ACQ | 0.466667 | 0.781609 |
134 | T99 | 0.466667 | 0.793103 |
135 | TAT | 0.466667 | 0.793103 |
136 | A7D | 0.465347 | 0.72093 |
137 | A3S | 0.465347 | 0.729412 |
138 | 9SN | 0.464912 | 0.766667 |
139 | PR8 | 0.464286 | 0.808989 |
140 | R2V | 0.464286 | 0.831461 |
141 | F2R | 0.464 | 0.782609 |
142 | 6RE | 0.463918 | 0.688889 |
143 | M2T | 0.462366 | 0.666667 |
144 | 1ZZ | 0.460177 | 0.76087 |
145 | PTJ | 0.460177 | 0.766667 |
146 | FYA | 0.460177 | 0.790698 |
147 | SXZ | 0.460177 | 0.722222 |
148 | 00A | 0.459459 | 0.775281 |
149 | JNT | 0.459459 | 0.781609 |
150 | 62X | 0.459459 | 0.663158 |
151 | YLC | 0.459016 | 0.8 |
152 | MAP | 0.458716 | 0.764045 |
153 | A22 | 0.458716 | 0.770115 |
154 | 48N | 0.458333 | 0.786517 |
155 | KOY | 0.458333 | 0.744186 |
156 | ATF | 0.457944 | 0.752809 |
157 | ARG AMP | 0.457627 | 0.771739 |
158 | MTA | 0.457447 | 0.678161 |
159 | VRT | 0.457143 | 0.715909 |
160 | MYR AMP | 0.45614 | 0.741935 |
161 | RRW | 0.45614 | 0.897727 |
162 | ADP BMA | 0.455357 | 0.761364 |
163 | OAD | 0.455357 | 0.802326 |
164 | QXG | 0.455357 | 0.822222 |
165 | J7C | 0.454545 | 0.696629 |
166 | 25A | 0.454545 | 0.77907 |
167 | A3N | 0.454545 | 0.651685 |
168 | 6YZ | 0.453704 | 0.781609 |
169 | ZAS | 0.453608 | 0.693182 |
170 | AMP DBH | 0.452991 | 0.741573 |
171 | IOT | 0.451613 | 0.774194 |
172 | B5V | 0.451327 | 0.793103 |
173 | TYM | 0.45082 | 0.835294 |
174 | NWW | 0.450549 | 0.642857 |
175 | ADQ | 0.45045 | 0.781609 |
176 | GJV | 0.45 | 0.681319 |
177 | HQG | 0.449541 | 0.790698 |
178 | 7C5 | 0.449153 | 0.719101 |
179 | YLA | 0.448 | 0.782609 |
180 | 3OD | 0.447368 | 0.802326 |
181 | AYB | 0.444444 | 0.774194 |
182 | DSH | 0.444444 | 0.696629 |
183 | KYE | 0.444444 | 0.688172 |
184 | DND | 0.442623 | 0.793103 |
185 | 9X8 | 0.442478 | 0.804598 |
186 | A3T | 0.442308 | 0.697674 |
187 | KXW | 0.441667 | 0.7 |
188 | RRB | 0.441667 | 0.918605 |
189 | TAD | 0.441667 | 0.777778 |
190 | OZV | 0.441441 | 0.77907 |
191 | 5SV | 0.441441 | 0.728261 |
192 | S8M | 0.441441 | 0.747126 |
193 | V47 | 0.440367 | 0.72619 |
194 | ALF ADP 3PG | 0.439024 | 0.758242 |
195 | HZ2 | 0.438017 | 0.703297 |
196 | LAQ | 0.438017 | 0.8 |
197 | COD | 0.4375 | 0.757895 |
198 | A3R | 0.4375 | 0.775281 |
199 | B5M | 0.435897 | 0.784091 |
200 | K3K | 0.435897 | 0.666667 |
201 | B5Y | 0.435897 | 0.784091 |
202 | S4M | 0.435644 | 0.663158 |
203 | JB6 | 0.434783 | 0.816092 |
204 | BIS | 0.434783 | 0.755556 |
205 | LPA AMP | 0.434426 | 0.78022 |
206 | D3Y | 0.432432 | 0.712644 |
207 | YLY | 0.431818 | 0.774194 |
208 | MAO | 0.431373 | 0.728261 |
209 | 25L | 0.431034 | 0.770115 |
210 | EU9 | 0.430894 | 0.734043 |
211 | HY8 | 0.430894 | 0.703297 |
212 | NEC | 0.43 | 0.636364 |
213 | A3G | 0.43 | 0.72093 |
214 | KH3 | 0.429752 | 0.670213 |
215 | GEK | 0.428571 | 0.767442 |
216 | 4UV | 0.428571 | 0.784091 |
217 | K3E | 0.428571 | 0.659341 |
218 | TXE | 0.427419 | 0.755556 |
219 | OMR | 0.427419 | 0.752688 |
220 | 5AD | 0.426966 | 0.630952 |
221 | 3NZ | 0.426087 | 0.707865 |
222 | Q34 | 0.424 | 0.670213 |
223 | NAD IBO | 0.424 | 0.77907 |
224 | NAD TDB | 0.424 | 0.77907 |
225 | KMQ | 0.423729 | 0.772727 |
226 | U4Y | 0.422764 | 0.747126 |
227 | AAT | 0.422018 | 0.681319 |
228 | EO7 | 0.421569 | 0.896552 |
229 | 4UU | 0.421488 | 0.784091 |
230 | GA7 | 0.421488 | 0.752809 |
231 | 80F | 0.419847 | 0.782609 |
232 | 6V0 | 0.419355 | 0.747253 |
233 | TXD | 0.419355 | 0.755556 |
234 | NAX | 0.419355 | 0.788889 |
235 | NAI | 0.419355 | 0.755556 |
236 | MHZ | 0.419048 | 0.673684 |
237 | NWQ | 0.418367 | 0.627907 |
238 | DQV | 0.418033 | 0.790698 |
239 | SO8 | 0.416667 | 0.674157 |
240 | N37 | 0.416 | 0.724138 |
241 | AF3 ADP 3PG | 0.416 | 0.758242 |
242 | N5O | 0.415842 | 0.709302 |
243 | 2VA | 0.415094 | 0.681818 |
244 | AHZ | 0.414634 | 0.76087 |
245 | 3AM | 0.414141 | 0.744186 |
246 | Q2V | 0.414062 | 0.692308 |
247 | L3W | 0.412698 | 0.772727 |
248 | Q2M | 0.412698 | 0.703297 |
249 | ATP A A A | 0.411765 | 0.767442 |
250 | N0B | 0.411765 | 0.782609 |
251 | ATP A | 0.411765 | 0.767442 |
252 | OZP | 0.41129 | 0.719101 |
253 | AR6 AR6 | 0.409836 | 0.77907 |
254 | AFH | 0.409836 | 0.758242 |
255 | Y3J | 0.408602 | 0.616279 |
256 | 7D5 | 0.408163 | 0.707865 |
257 | 4UW | 0.408 | 0.758242 |
258 | N5A | 0.407767 | 0.686047 |
259 | A5D | 0.407407 | 0.709302 |
260 | NVA 2AD | 0.407407 | 0.707865 |
261 | KY2 | 0.40708 | 0.666667 |
262 | 7D7 | 0.406593 | 0.632184 |
263 | GTA | 0.406504 | 0.723404 |
264 | 2SA | 0.405405 | 0.813953 |
265 | AMP NAD | 0.40458 | 0.790698 |
266 | NAD | 0.40458 | 0.790698 |
267 | A3P | 0.403846 | 0.776471 |
268 | A2P | 0.403846 | 0.764706 |
269 | T5A | 0.403101 | 0.744681 |
270 | 594 | 0.402985 | 0.852632 |
271 | G3A | 0.401639 | 0.747253 |
272 | F0P | 0.401575 | 0.719101 |
273 | BT5 | 0.401515 | 0.793478 |
274 | KYB | 0.4 | 0.666667 |
275 | BS5 | 0.4 | 0.819149 |
276 | CNA | 0.4 | 0.793103 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | GTP | 0.8654 |
This union binding pocket(no: 1) in the query (biounit: 3afh.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 4A91 | GLU | 46.3087 |