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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 | 5TK7 | - | 7D4 | C10 H16 N5 O12 P3 | c1nc(c2c(n.... |
2 | 5TK8 | - | 7D5 | C10 H14 N5 O6 P | c1nc(c2c(n.... |
3 | 5TK9 | - | 7D7 | C10 H13 N5 O3 | c1nc(c2c(n.... |
4 | 5TK6 | - | 7D3 | C10 H15 N5 O9 P2 | c1nc(c2c(n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 5TK7 | - | 7D4 | C10 H16 N5 O12 P3 | c1nc(c2c(n.... |
2 | 5TK8 | - | 7D5 | C10 H14 N5 O6 P | c1nc(c2c(n.... |
3 | 5TK9 | - | 7D7 | C10 H13 N5 O3 | c1nc(c2c(n.... |
4 | 5TK6 | - | 7D3 | C10 H15 N5 O9 P2 | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 7D3 | 1 | 1 |
2 | 7D4 | 0.884058 | 1 |
3 | 7D5 | 0.830769 | 0.971831 |
4 | 2A5 | 0.714286 | 0.906667 |
5 | ADP | 0.706667 | 0.905405 |
6 | PAP | 0.683544 | 0.917808 |
7 | ATR | 0.6625 | 0.90411 |
8 | CUU | 0.6375 | 0.905405 |
9 | ATP | 0.6375 | 0.905405 |
10 | HEJ | 0.6375 | 0.905405 |
11 | AV2 | 0.630952 | 0.855263 |
12 | 5FA | 0.62963 | 0.905405 |
13 | AQP | 0.62963 | 0.905405 |
14 | 7D7 | 0.626866 | 0.830986 |
15 | A2D | 0.623377 | 0.88 |
16 | AP5 | 0.620253 | 0.88 |
17 | B4P | 0.620253 | 0.88 |
18 | DAT | 0.617284 | 0.893333 |
19 | AN2 | 0.6125 | 0.893333 |
20 | BA3 | 0.607595 | 0.88 |
21 | ACQ | 0.607143 | 0.881579 |
22 | 6YZ | 0.604651 | 0.881579 |
23 | AT4 | 0.592593 | 0.87013 |
24 | M33 | 0.585366 | 0.868421 |
25 | AMP | 0.584416 | 0.878378 |
26 | A | 0.584416 | 0.878378 |
27 | ACP | 0.578313 | 0.881579 |
28 | AR6 | 0.571429 | 0.88 |
29 | APR | 0.571429 | 0.88 |
30 | ANP | 0.569767 | 0.881579 |
31 | 3AT | 0.569767 | 0.905405 |
32 | TAT | 0.569767 | 0.87013 |
33 | T99 | 0.569767 | 0.87013 |
34 | A3P | 0.567901 | 0.90411 |
35 | AGS | 0.564706 | 0.858974 |
36 | AD9 | 0.564706 | 0.881579 |
37 | AMP MG | 0.556962 | 0.84 |
38 | ADP BEF | 0.554217 | 0.853333 |
39 | ADP MG | 0.554217 | 0.853333 |
40 | APC | 0.552941 | 0.894737 |
41 | DTP | 0.551724 | 0.893333 |
42 | 3AM | 0.551282 | 0.890411 |
43 | A2P | 0.548781 | 0.890411 |
44 | ADX | 0.547619 | 0.795181 |
45 | CA0 | 0.547619 | 0.857143 |
46 | PPS | 0.545455 | 0.817073 |
47 | HQG | 0.544444 | 0.893333 |
48 | A2R | 0.544444 | 0.893333 |
49 | ABM | 0.54321 | 0.831169 |
50 | 45A | 0.54321 | 0.831169 |
51 | 50T | 0.541176 | 0.868421 |
52 | KG4 | 0.541176 | 0.857143 |
53 | ATF | 0.539326 | 0.87013 |
54 | A22 | 0.538462 | 0.893333 |
55 | 2AM | 0.538462 | 0.90411 |
56 | PRX | 0.534884 | 0.810127 |
57 | 25L | 0.53125 | 0.893333 |
58 | A12 | 0.53012 | 0.894737 |
59 | AP2 | 0.53012 | 0.894737 |
60 | ADP PO3 | 0.528736 | 0.853333 |
61 | ATP MG | 0.528736 | 0.853333 |
62 | APC MG | 0.528736 | 0.855263 |
63 | 5AL | 0.52809 | 0.844156 |
64 | A1R | 0.526882 | 0.871795 |
65 | ADQ | 0.526882 | 0.881579 |
66 | 12D | 0.519608 | 0.755814 |
67 | SRA | 0.518519 | 0.833333 |
68 | OVE | 0.518519 | 0.868421 |
69 | DDS | 0.516854 | 0.891892 |
70 | SRP | 0.516484 | 0.846154 |
71 | NA7 | 0.515789 | 0.894737 |
72 | AU1 | 0.511628 | 0.881579 |
73 | 8LE | 0.511111 | 0.8125 |
74 | A3R | 0.510638 | 0.871795 |
75 | ADN | 0.506849 | 0.783784 |
76 | XYA | 0.506849 | 0.783784 |
77 | RAB | 0.506849 | 0.783784 |
78 | BEF ADP | 0.505618 | 0.831169 |
79 | QA7 | 0.505376 | 0.8125 |
80 | JNT | 0.505263 | 0.881579 |
81 | 8QN | 0.5 | 0.844156 |
82 | OZV | 0.5 | 0.88 |
83 | V3L | 0.5 | 0.88 |
84 | 9X8 | 0.5 | 0.835443 |
85 | OAD | 0.5 | 0.857143 |
86 | 8LH | 0.5 | 0.846154 |
87 | 25A | 0.5 | 0.88 |
88 | 128 | 0.495238 | 0.747126 |
89 | AMO | 0.494737 | 0.846154 |
90 | V2G | 0.494505 | 0.8375 |
91 | RBY | 0.494382 | 0.87013 |
92 | ADV | 0.494382 | 0.87013 |
93 | D5M | 0.493976 | 0.866667 |
94 | DA | 0.493976 | 0.866667 |
95 | BIS | 0.489796 | 0.848101 |
96 | 3OD | 0.489796 | 0.857143 |
97 | 00A | 0.489583 | 0.802469 |
98 | AHX | 0.489583 | 0.8375 |
99 | GGZ | 0.489362 | 0.771084 |
100 | MAP | 0.489362 | 0.858974 |
101 | 8LQ | 0.489362 | 0.822785 |
102 | ALF ADP | 0.48913 | 0.790123 |
103 | ANP MG | 0.48913 | 0.844156 |
104 | VO4 ADP | 0.48913 | 0.857143 |
105 | G5P | 0.485437 | 0.8375 |
106 | 5SV | 0.484211 | 0.792683 |
107 | OOB | 0.484211 | 0.844156 |
108 | GAP | 0.483516 | 0.833333 |
109 | SON | 0.482759 | 0.87013 |
110 | LAD | 0.479592 | 0.82716 |
111 | B5V | 0.479592 | 0.822785 |
112 | 4AD | 0.479167 | 0.835443 |
113 | PAJ | 0.479167 | 0.82716 |
114 | G3A | 0.475728 | 0.8375 |
115 | KMQ | 0.475248 | 0.846154 |
116 | ME8 | 0.474747 | 0.764706 |
117 | TXA | 0.474747 | 0.846154 |
118 | NB8 | 0.474747 | 0.814815 |
119 | PTJ | 0.474747 | 0.814815 |
120 | FYA | 0.474747 | 0.820513 |
121 | DLL | 0.474227 | 0.844156 |
122 | 5N5 | 0.473684 | 0.76 |
123 | 48N | 0.471698 | 0.814815 |
124 | LQJ | 0.470588 | 0.88 |
125 | LMS | 0.46988 | 0.752941 |
126 | PO4 PO4 A A A A PO4 | 0.469388 | 0.84 |
127 | ADP BMA | 0.469388 | 0.857143 |
128 | 3UK | 0.469388 | 0.833333 |
129 | 5CD | 0.467532 | 0.723684 |
130 | A4D | 0.467532 | 0.76 |
131 | WAQ | 0.464646 | 0.825 |
132 | J4G | 0.464646 | 0.835443 |
133 | PR8 | 0.464646 | 0.817073 |
134 | 101 | 0.464286 | 0.891892 |
135 | 6AD | 0.462366 | 0.82716 |
136 | DZ4 | 0.462366 | 0.87013 |
137 | ATP A | 0.460784 | 0.842105 |
138 | ATP A A A | 0.460784 | 0.842105 |
139 | FA5 | 0.460784 | 0.822785 |
140 | 1ZZ | 0.46 | 0.785714 |
141 | A3G | 0.458824 | 0.74359 |
142 | DAL AMP | 0.458333 | 0.820513 |
143 | AFH | 0.457143 | 0.82716 |
144 | KL2 | 0.45679 | 0.802632 |
145 | SO8 | 0.456522 | 0.734177 |
146 | XAH | 0.456311 | 0.807229 |
147 | 2VA | 0.455556 | 0.74359 |
148 | TM1 | 0.455446 | 0.744186 |
149 | NAX | 0.453704 | 0.795181 |
150 | UP5 | 0.453704 | 0.835443 |
151 | 9ZA | 0.453608 | 0.825 |
152 | 9ZD | 0.453608 | 0.825 |
153 | DQV | 0.45283 | 0.868421 |
154 | GTA | 0.45283 | 0.807229 |
155 | ACK | 0.452381 | 0.824324 |
156 | QQY | 0.452381 | 0.782051 |
157 | ZAS | 0.452381 | 0.691358 |
158 | 9SN | 0.45098 | 0.792683 |
159 | EP4 | 0.45 | 0.679012 |
160 | A3S | 0.449438 | 0.753247 |
161 | 3AD | 0.448718 | 0.77027 |
162 | 3L1 | 0.448718 | 0.786667 |
163 | NWW | 0.448718 | 0.68 |
164 | 3D1 | 0.448718 | 0.786667 |
165 | B5Y | 0.446602 | 0.8125 |
166 | B5M | 0.446602 | 0.8125 |
167 | NPW | 0.446429 | 0.807229 |
168 | NVA 2AD | 0.445652 | 0.707317 |
169 | 4TC | 0.445455 | 0.814815 |
170 | L3W | 0.445455 | 0.846154 |
171 | M2T | 0.444444 | 0.662651 |
172 | DTA | 0.444444 | 0.730769 |
173 | ITT | 0.444444 | 0.853333 |
174 | NZQ | 0.442478 | 0.82716 |
175 | AOC | 0.44186 | 0.74026 |
176 | APU | 0.441441 | 0.858974 |
177 | A4P | 0.441441 | 0.790698 |
178 | JSQ | 0.44086 | 0.858974 |
179 | VRT | 0.44086 | 0.716049 |
180 | HFD | 0.44086 | 0.858974 |
181 | QQX | 0.440476 | 0.772152 |
182 | TXD | 0.440367 | 0.825 |
183 | NAI | 0.440367 | 0.825 |
184 | 6V0 | 0.440367 | 0.814815 |
185 | DND | 0.440367 | 0.846154 |
186 | 5AD | 0.44 | 0.666667 |
187 | 5X8 | 0.43956 | 0.6875 |
188 | A3T | 0.43956 | 0.763158 |
189 | MTA | 0.439024 | 0.696203 |
190 | F2R | 0.438596 | 0.809524 |
191 | ODP | 0.438596 | 0.82716 |
192 | 5AS | 0.438202 | 0.730337 |
193 | 4UV | 0.438095 | 0.8125 |
194 | J7V | 0.438017 | 0.761364 |
195 | AS | 0.436782 | 0.822785 |
196 | TXE | 0.436364 | 0.825 |
197 | OMR | 0.436364 | 0.797619 |
198 | LAQ | 0.435185 | 0.785714 |
199 | AHZ | 0.435185 | 0.744186 |
200 | 0WD | 0.434783 | 0.8375 |
201 | NDP | 0.433628 | 0.8375 |
202 | 139 | 0.433628 | 0.839506 |
203 | ADJ | 0.433628 | 0.797619 |
204 | T5A | 0.433628 | 0.788235 |
205 | NO7 | 0.43299 | 0.87013 |
206 | AP0 | 0.432432 | 0.814815 |
207 | DCA | 0.432203 | 0.793103 |
208 | ETB | 0.432203 | 0.781609 |
209 | YLP | 0.431193 | 0.788235 |
210 | 6RE | 0.430233 | 0.707317 |
211 | ZDA | 0.430108 | 0.828947 |
212 | 7MD | 0.429907 | 0.807229 |
213 | 4UU | 0.429907 | 0.8125 |
214 | ANZ | 0.429907 | 0.768293 |
215 | GA7 | 0.429907 | 0.846154 |
216 | AR6 AR6 | 0.429907 | 0.831169 |
217 | TXP | 0.429825 | 0.8375 |
218 | 3DH | 0.428571 | 0.696203 |
219 | 80F | 0.42735 | 0.767442 |
220 | 4UW | 0.427273 | 0.783133 |
221 | MYR AMP | 0.427184 | 0.764706 |
222 | HDV | 0.427083 | 0.857143 |
223 | NJP | 0.426087 | 0.858974 |
224 | NEC | 0.425287 | 0.692308 |
225 | 0T1 | 0.425 | 0.793103 |
226 | COA | 0.425 | 0.793103 |
227 | H1Q | 0.423913 | 0.818182 |
228 | TYM | 0.423423 | 0.822785 |
229 | COD | 0.422414 | 0.781609 |
230 | XNP | 0.422414 | 0.817073 |
231 | NAD | 0.422414 | 0.844156 |
232 | J7C | 0.420455 | 0.716049 |
233 | YLB | 0.419643 | 0.788235 |
234 | UPA | 0.419643 | 0.848101 |
235 | YLC | 0.419643 | 0.807229 |
236 | 103 | 0.418605 | 0.802632 |
237 | Y3J | 0.417722 | 0.649351 |
238 | 7DD | 0.417582 | 0.891892 |
239 | JB6 | 0.417476 | 0.802469 |
240 | CNA | 0.417391 | 0.846154 |
241 | ARG AMP | 0.416667 | 0.776471 |
242 | PUA | 0.416667 | 0.85 |
243 | S4M | 0.41573 | 0.640449 |
244 | CC5 | 0.415584 | 0.733333 |
245 | A3D | 0.415254 | 0.833333 |
246 | CAO | 0.414634 | 0.766667 |
247 | AMX | 0.414634 | 0.802326 |
248 | 30N | 0.414634 | 0.726316 |
249 | COS | 0.414634 | 0.775281 |
250 | TSB | 0.414141 | 0.747126 |
251 | 9BG | 0.413793 | 0.860759 |
252 | A5A | 0.412371 | 0.735632 |
253 | NWQ | 0.411765 | 0.662338 |
254 | CMX | 0.41129 | 0.793103 |
255 | SCO | 0.41129 | 0.793103 |
256 | AMP DBH | 0.411215 | 0.810127 |
257 | MAO | 0.411111 | 0.709302 |
258 | ALF ADP 3PG | 0.410714 | 0.761905 |
259 | G5A | 0.410526 | 0.730337 |
260 | NAQ | 0.409836 | 0.792683 |
261 | N5O | 0.409091 | 0.708861 |
262 | DSH | 0.409091 | 0.695122 |
263 | YLA | 0.408696 | 0.788235 |
264 | SFG | 0.408602 | 0.696203 |
265 | SSA | 0.408163 | 0.75 |
266 | ACO | 0.408 | 0.766667 |
267 | FAM | 0.408 | 0.775281 |
268 | FCX | 0.408 | 0.766667 |
269 | 7MC | 0.40708 | 0.788235 |
270 | NAP | 0.406504 | 0.857143 |
271 | 38V | 0.406504 | 0.829268 |
272 | SAM | 0.40625 | 0.643678 |
273 | NMX | 0.40625 | 0.734043 |
274 | LPA AMP | 0.405405 | 0.764706 |
275 | AYB | 0.405172 | 0.77907 |
276 | ZZB | 0.405172 | 0.764706 |
277 | HAX | 0.404762 | 0.775281 |
278 | A3N | 0.404494 | 0.730769 |
279 | VMS | 0.40404 | 0.719101 |
280 | 54H | 0.40404 | 0.719101 |
281 | TAP | 0.403226 | 0.825 |
282 | DG1 | 0.403226 | 0.8375 |
283 | 1DG | 0.403226 | 0.8375 |
284 | NAE | 0.401639 | 0.8125 |
285 | 3KK | 0.401575 | 0.775281 |
286 | FYN | 0.401575 | 0.793103 |
287 | GJV | 0.4 | 0.698795 |
288 | EAD | 0.4 | 0.795181 |
289 | NA0 | 0.4 | 0.846154 |
290 | 53H | 0.4 | 0.711111 |
291 | N5A | 0.4 | 0.683544 |
292 | KGJ | 0.4 | 0.726316 |
293 | 5CA | 0.4 | 0.75 |
294 | IOT | 0.4 | 0.8 |
295 | D3Y | 0.4 | 0.734177 |
296 | SA8 | 0.4 | 0.658824 |
297 | TAD | 0.4 | 0.82716 |
298 | 7L1 | 0.4 | 0.766667 |
This union binding pocket(no: 1) in the query (biounit: 5tk8.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 5tk8.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |