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- 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 1 families. | |||||
1 | 3AR2 | - | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
2 | 2AGV | Kd = 20 nM | BHQ | C14 H22 O2 | CC(C)(C)c1.... |
3 | 3AR5 | Kd = 7.62 nM | TM1 | C16 H15 N8 O13 P | c1nc(c2c(n.... |
4 | 2ZBD | - | ALF ADP | n/a | n/a |
5 | 3FGO | - | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
6 | 2DQS | - | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
7 | 1WPG | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
8 | 3AR4 | Kd = 156 nM | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
9 | 3AR3 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
10 | 3AR6 | - | 12D | C16 H16 N8 O16 P2 | c1nc(c2c(n.... |
11 | 3AR7 | - | 128 | C16 H17 N8 O19 P3 | 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 | 3AR2 | - | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
2 | 2AGV | Kd = 20 nM | BHQ | C14 H22 O2 | CC(C)(C)c1.... |
3 | 3AR5 | Kd = 7.62 nM | TM1 | C16 H15 N8 O13 P | c1nc(c2c(n.... |
4 | 2ZBD | - | ALF ADP | n/a | n/a |
5 | 3FGO | - | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
6 | 2DQS | - | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
7 | 1WPG | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
8 | 3AR4 | Kd = 156 nM | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
9 | 3AR3 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
10 | 3AR6 | - | 12D | C16 H16 N8 O16 P2 | c1nc(c2c(n.... |
11 | 3AR7 | - | 128 | C16 H17 N8 O19 P3 | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | ALF ADP | 1 | 1 |
2 | ADP PO3 | 0.8 | 0.918919 |
3 | ATP MG | 0.8 | 0.918919 |
4 | ADP BEF | 0.794872 | 0.918919 |
5 | ADP MG | 0.794872 | 0.918919 |
6 | BEF ADP | 0.790123 | 0.92 |
7 | VO4 ADP | 0.761905 | 0.896104 |
8 | ANP MG | 0.72093 | 0.883117 |
9 | AMP MG | 0.717949 | 0.905405 |
10 | AF3 ADP 3PG | 0.707071 | 0.961039 |
11 | ADP BMA | 0.703297 | 0.871795 |
12 | GAP | 0.697674 | 0.871795 |
13 | AMP | 0.683544 | 0.868421 |
14 | A | 0.683544 | 0.868421 |
15 | A2D | 0.679012 | 0.87013 |
16 | ADP | 0.674699 | 0.87013 |
17 | ATP A | 0.666667 | 0.906667 |
18 | ATP A A A | 0.666667 | 0.906667 |
19 | BA3 | 0.662651 | 0.87013 |
20 | ABM | 0.658537 | 0.846154 |
21 | 45A | 0.658537 | 0.846154 |
22 | APC MG | 0.655172 | 0.894737 |
23 | AP5 | 0.654762 | 0.87013 |
24 | B4P | 0.654762 | 0.87013 |
25 | AN2 | 0.647059 | 0.858974 |
26 | AT4 | 0.647059 | 0.8375 |
27 | AP2 | 0.642857 | 0.8375 |
28 | A12 | 0.642857 | 0.8375 |
29 | DAL AMP | 0.641304 | 0.883117 |
30 | AR6 AR6 | 0.64 | 0.894737 |
31 | M33 | 0.639535 | 0.858974 |
32 | SRA | 0.634146 | 0.825 |
33 | ATP | 0.632184 | 0.87013 |
34 | HEJ | 0.632184 | 0.87013 |
35 | ACP | 0.632184 | 0.848101 |
36 | AHZ | 0.627451 | 0.8 |
37 | APC | 0.625 | 0.8375 |
38 | ALF ADP 3PG | 0.625 | 0.961039 |
39 | AQP | 0.625 | 0.87013 |
40 | APR | 0.625 | 0.87013 |
41 | 5FA | 0.625 | 0.87013 |
42 | AR6 | 0.625 | 0.87013 |
43 | AU1 | 0.62069 | 0.848101 |
44 | ADX | 0.62069 | 0.788235 |
45 | CA0 | 0.62069 | 0.848101 |
46 | AD9 | 0.617977 | 0.871795 |
47 | AGS | 0.617977 | 0.82716 |
48 | KG4 | 0.613636 | 0.848101 |
49 | 50T | 0.613636 | 0.858974 |
50 | MYR AMP | 0.612245 | 0.8 |
51 | ATF | 0.608696 | 0.909091 |
52 | PRX | 0.606742 | 0.825 |
53 | ACQ | 0.604396 | 0.848101 |
54 | ANP | 0.604396 | 0.848101 |
55 | T99 | 0.604396 | 0.8375 |
56 | TAT | 0.604396 | 0.8375 |
57 | NAD IBO | 0.603774 | 0.894737 |
58 | NAD TDB | 0.603774 | 0.894737 |
59 | ADV | 0.6 | 0.8375 |
60 | RBY | 0.6 | 0.8375 |
61 | AMP DBH | 0.588235 | 0.848101 |
62 | 4TA | 0.585586 | 0.790698 |
63 | 6YZ | 0.585106 | 0.848101 |
64 | LMS | 0.583333 | 0.767442 |
65 | V2G | 0.580645 | 0.807229 |
66 | 5AL | 0.580645 | 0.858974 |
67 | 8LE | 0.580645 | 0.82716 |
68 | HQG | 0.578947 | 0.858974 |
69 | A1R | 0.57732 | 0.817073 |
70 | SON | 0.573034 | 0.8375 |
71 | A22 | 0.572917 | 0.858974 |
72 | MAP | 0.572917 | 0.85 |
73 | AMP NAD | 0.571429 | 0.883117 |
74 | AOC | 0.569767 | 0.779221 |
75 | SRP | 0.568421 | 0.8375 |
76 | 8LH | 0.568421 | 0.8375 |
77 | OZV | 0.56701 | 0.87013 |
78 | 5SV | 0.56701 | 0.785714 |
79 | GDP ALF | 0.565657 | 0.9125 |
80 | PO4 PO4 A A A A PO4 | 0.565657 | 0.88 |
81 | 9X8 | 0.565657 | 0.82716 |
82 | ARG AMP | 0.561905 | 0.790698 |
83 | A3R | 0.561224 | 0.817073 |
84 | ADQ | 0.561224 | 0.848101 |
85 | 8LQ | 0.556701 | 0.8375 |
86 | QA7 | 0.556701 | 0.82716 |
87 | NAJ PZO | 0.556522 | 0.829268 |
88 | JNT | 0.555556 | 0.848101 |
89 | Z5A | 0.554622 | 0.764045 |
90 | BIS | 0.554455 | 0.886076 |
91 | XYA | 0.551282 | 0.776316 |
92 | ADN | 0.551282 | 0.776316 |
93 | RAB | 0.551282 | 0.776316 |
94 | 9ZD | 0.55102 | 0.817073 |
95 | 25A | 0.55102 | 0.87013 |
96 | 8QN | 0.55102 | 0.858974 |
97 | 9ZA | 0.55102 | 0.817073 |
98 | OOB | 0.55102 | 0.858974 |
99 | OAD | 0.55 | 0.848101 |
100 | AFH | 0.54717 | 0.864198 |
101 | LPA AMP | 0.546296 | 0.8 |
102 | PAJ | 0.545455 | 0.797619 |
103 | 4AD | 0.545455 | 0.85 |
104 | AMO | 0.545455 | 0.8375 |
105 | 5AS | 0.544444 | 0.725275 |
106 | NAD | 0.54386 | 0.883117 |
107 | 9SN | 0.543689 | 0.875 |
108 | H1Q | 0.543478 | 0.881579 |
109 | DLL | 0.54 | 0.858974 |
110 | AHX | 0.54 | 0.807229 |
111 | 00A | 0.54 | 0.8625 |
112 | JB6 | 0.539216 | 0.817073 |
113 | TXA | 0.539216 | 0.8375 |
114 | 3OD | 0.539216 | 0.848101 |
115 | 1ZZ | 0.539216 | 0.77907 |
116 | NAJ PYZ | 0.537815 | 0.833333 |
117 | 5N5 | 0.5375 | 0.753247 |
118 | 3UK | 0.534653 | 0.848101 |
119 | A3D | 0.534483 | 0.871795 |
120 | 25L | 0.533981 | 0.858974 |
121 | 5CD | 0.530864 | 0.786667 |
122 | A4D | 0.530864 | 0.753247 |
123 | PR8 | 0.529412 | 0.788235 |
124 | LAD | 0.529412 | 0.797619 |
125 | NAE | 0.529412 | 0.85 |
126 | B5V | 0.529412 | 0.8375 |
127 | WAQ | 0.529412 | 0.817073 |
128 | PTJ | 0.524272 | 0.807229 |
129 | NB8 | 0.524272 | 0.807229 |
130 | FYA | 0.524272 | 0.835443 |
131 | ME8 | 0.524272 | 0.77907 |
132 | KMQ | 0.52381 | 0.8375 |
133 | NAQ | 0.512397 | 0.829268 |
134 | EP4 | 0.511905 | 0.716049 |
135 | G5A | 0.510417 | 0.725275 |
136 | FA5 | 0.509434 | 0.8375 |
137 | B5Y | 0.509434 | 0.82716 |
138 | B5M | 0.509434 | 0.82716 |
139 | G3A | 0.509259 | 0.807229 |
140 | ZID | 0.508197 | 0.871795 |
141 | M2T | 0.505882 | 0.719512 |
142 | DTA | 0.505882 | 0.746835 |
143 | 3DH | 0.505747 | 0.734177 |
144 | XAH | 0.504673 | 0.77907 |
145 | G5P | 0.504587 | 0.807229 |
146 | GA7 | 0.504587 | 0.814815 |
147 | DND | 0.5 | 0.860759 |
148 | A3P | 0.5 | 0.868421 |
149 | GTA | 0.5 | 0.8 |
150 | MTA | 0.5 | 0.734177 |
151 | DQV | 0.5 | 0.858974 |
152 | 4UV | 0.5 | 0.82716 |
153 | NAI | 0.5 | 0.817073 |
154 | PAP | 0.5 | 0.857143 |
155 | OMR | 0.495575 | 0.770115 |
156 | TXE | 0.495575 | 0.817073 |
157 | TSB | 0.49505 | 0.741573 |
158 | A5A | 0.494949 | 0.75 |
159 | 7D5 | 0.494253 | 0.7875 |
160 | AP0 | 0.491228 | 0.807229 |
161 | 48N | 0.491071 | 0.807229 |
162 | 7MD | 0.490909 | 0.77907 |
163 | 4UU | 0.490909 | 0.82716 |
164 | LEU LMS | 0.490385 | 0.717391 |
165 | SSA | 0.49 | 0.725275 |
166 | 2A5 | 0.489583 | 0.802469 |
167 | 7D3 | 0.48913 | 0.790123 |
168 | 6RE | 0.488889 | 0.722892 |
169 | 6V0 | 0.486726 | 0.807229 |
170 | UP5 | 0.486726 | 0.82716 |
171 | TXD | 0.486726 | 0.817073 |
172 | NAX | 0.486726 | 0.788235 |
173 | TAD | 0.486486 | 0.797619 |
174 | VMS | 0.485149 | 0.733333 |
175 | 54H | 0.485149 | 0.733333 |
176 | 52H | 0.485149 | 0.725275 |
177 | ATR | 0.484536 | 0.844156 |
178 | NDE | 0.484375 | 0.860759 |
179 | A2P | 0.483871 | 0.855263 |
180 | 3AM | 0.483146 | 0.831169 |
181 | TYM | 0.482456 | 0.8375 |
182 | LAQ | 0.482143 | 0.77907 |
183 | 9K8 | 0.481132 | 0.758242 |
184 | 53H | 0.480392 | 0.725275 |
185 | 8X1 | 0.480392 | 0.702128 |
186 | 5CA | 0.480392 | 0.725275 |
187 | N01 | 0.479339 | 0.883117 |
188 | NMN AMP PO4 | 0.478992 | 0.85 |
189 | T5A | 0.478632 | 0.761364 |
190 | 139 | 0.478632 | 0.788235 |
191 | 4TC | 0.478261 | 0.807229 |
192 | J7C | 0.478261 | 0.710843 |
193 | L3W | 0.478261 | 0.8375 |
194 | A3N | 0.478261 | 0.725 |
195 | YLP | 0.477876 | 0.761364 |
196 | ZAS | 0.477778 | 0.75 |
197 | NDC | 0.476923 | 0.829268 |
198 | ALF 5GP | 0.475248 | 0.9125 |
199 | A4P | 0.474138 | 0.744444 |
200 | NAD BBN | 0.474074 | 0.823529 |
201 | 4UW | 0.473684 | 0.797619 |
202 | S4M | 0.473118 | 0.655556 |
203 | GJV | 0.473118 | 0.714286 |
204 | P5A | 0.471698 | 0.694737 |
205 | ENQ | 0.471698 | 0.868421 |
206 | GSU | 0.471698 | 0.725275 |
207 | NSS | 0.471154 | 0.744444 |
208 | DSZ | 0.471154 | 0.725275 |
209 | LSS | 0.471154 | 0.709677 |
210 | F2R | 0.470588 | 0.761364 |
211 | 7D4 | 0.46875 | 0.790123 |
212 | MAO | 0.468085 | 0.704545 |
213 | DSH | 0.467391 | 0.690476 |
214 | NAD CJ3 | 0.467153 | 0.795455 |
215 | COD | 0.466667 | 0.736264 |
216 | NVA LMS | 0.466667 | 0.72043 |
217 | ADJ | 0.466102 | 0.770115 |
218 | YLB | 0.465517 | 0.761364 |
219 | YLC | 0.465517 | 0.77907 |
220 | UPA | 0.465517 | 0.817073 |
221 | 7MC | 0.465517 | 0.761364 |
222 | 5X8 | 0.463918 | 0.725 |
223 | IMO | 0.462366 | 0.831169 |
224 | CNA | 0.462185 | 0.860759 |
225 | V3L | 0.46 | 0.87013 |
226 | NWW | 0.458824 | 0.697368 |
227 | KAA | 0.457944 | 0.702128 |
228 | IOT | 0.457627 | 0.752809 |
229 | 6MZ | 0.457447 | 0.833333 |
230 | A2R | 0.456311 | 0.858974 |
231 | 2AM | 0.455556 | 0.820513 |
232 | PPS | 0.455446 | 0.767442 |
233 | 8PZ | 0.454545 | 0.725275 |
234 | CNV FAD | 0.453901 | 0.73913 |
235 | YLA | 0.453782 | 0.761364 |
236 | ITT | 0.453608 | 0.820513 |
237 | COA FLC | 0.452381 | 0.755556 |
238 | 5AD | 0.451219 | 0.706667 |
239 | AV2 | 0.45098 | 0.822785 |
240 | FAD NBT | 0.450704 | 0.701031 |
241 | YSA | 0.45045 | 0.725275 |
242 | B1U | 0.45045 | 0.705263 |
243 | SAH | 0.45 | 0.707317 |
244 | AYB | 0.45 | 0.752809 |
245 | O02 | 0.45 | 0.807229 |
246 | JSQ | 0.45 | 0.897436 |
247 | HFD | 0.45 | 0.897436 |
248 | SFG | 0.44898 | 0.7125 |
249 | GDP AF3 | 0.448598 | 0.9125 |
250 | FAD CNX | 0.448276 | 0.68 |
251 | M24 | 0.448 | 0.853659 |
252 | 4YB | 0.447368 | 0.709677 |
253 | 80F | 0.447154 | 0.761364 |
254 | Y3J | 0.447059 | 0.756757 |
255 | 7D7 | 0.445783 | 0.705128 |
256 | SAM | 0.445545 | 0.678161 |
257 | PAX | 0.445312 | 0.770115 |
258 | P6G FDA | 0.445205 | 0.73913 |
259 | P33 FDA | 0.445205 | 0.715789 |
260 | J4G | 0.444444 | 0.82716 |
261 | A7D | 0.443299 | 0.7375 |
262 | BTX | 0.442623 | 0.761364 |
263 | GDP BEF | 0.442308 | 0.839506 |
264 | K3K | 0.441441 | 0.740741 |
265 | 6AD | 0.441176 | 0.797619 |
266 | OVE | 0.44086 | 0.790123 |
267 | SA8 | 0.44 | 0.674419 |
268 | DZD | 0.439024 | 0.797619 |
269 | BT5 | 0.439024 | 0.752809 |
270 | MHZ | 0.438776 | 0.648352 |
271 | NAD NDT | 0.438356 | 0.714286 |
272 | GTP MG | 0.438095 | 0.8375 |
273 | 71V | 0.4375 | 0.795181 |
274 | FAD T2C | 0.436242 | 0.701031 |
275 | A3G | 0.43617 | 0.7375 |
276 | 6C6 | 0.435644 | 0.792683 |
277 | SAI | 0.435644 | 0.719512 |
278 | CUU | 0.434343 | 0.846154 |
279 | DAT | 0.434343 | 0.790123 |
280 | K3E | 0.433628 | 0.731707 |
281 | NDP DTT | 0.432836 | 0.781609 |
282 | SMM | 0.432692 | 0.674157 |
283 | V47 | 0.432692 | 0.74359 |
284 | DAL FAD PER | 0.432432 | 0.715789 |
285 | WSA | 0.432203 | 0.733333 |
286 | 7C5 | 0.429825 | 0.756098 |
287 | NO7 | 0.428571 | 0.814815 |
288 | KOY | 0.42735 | 0.7625 |
289 | AAT | 0.427184 | 0.674419 |
290 | EEM | 0.427184 | 0.697674 |
291 | NAP | 0.426357 | 0.871795 |
292 | NAJ | 0.42623 | 0.883117 |
293 | A5D | 0.425743 | 0.746835 |
294 | YLY | 0.425197 | 0.752809 |
295 | PGS | 0.424242 | 0.795181 |
296 | TAP | 0.423077 | 0.839506 |
297 | NA7 | 0.422018 | 0.8375 |
298 | D4F | 0.421875 | 0.77907 |
299 | NEC | 0.421053 | 0.6875 |
300 | D5M | 0.421053 | 0.7875 |
301 | DA | 0.421053 | 0.7875 |
302 | QXP | 0.420561 | 0.692308 |
303 | GEK | 0.420561 | 0.722892 |
304 | AVV | 0.420561 | 0.875 |
305 | 649 | 0.420168 | 0.694737 |
306 | EAD | 0.419847 | 0.788235 |
307 | NA0 | 0.419847 | 0.860759 |
308 | NIA | 0.419355 | 0.761905 |
309 | NHD | 0.419355 | 0.858974 |
310 | S7M | 0.419048 | 0.678161 |
311 | P1H | 0.41791 | 0.770115 |
312 | DTP | 0.417476 | 0.790123 |
313 | 6IA | 0.417476 | 0.755814 |
314 | 3AT | 0.417476 | 0.846154 |
315 | FAD NBA | 0.415584 | 0.68 |
316 | N0B | 0.415385 | 0.761364 |
317 | 38V | 0.415385 | 0.77907 |
318 | A3S | 0.414141 | 0.746835 |
319 | C2R | 0.413043 | 0.7875 |
320 | AMZ | 0.413043 | 0.797468 |
321 | ARU | 0.412844 | 0.797619 |
322 | NFD | 0.412698 | 0.910256 |
323 | LQJ | 0.412281 | 0.846154 |
324 | GGZ | 0.411215 | 0.744186 |
325 | 101 | 0.410526 | 0.7875 |
326 | 2SA | 0.409524 | 0.814815 |
327 | A6D | 0.409091 | 0.709302 |
328 | QXG | 0.409091 | 0.684783 |
329 | K15 | 0.409091 | 0.651685 |
330 | NWQ | 0.408602 | 0.679487 |
331 | M7G A2M G | 0.407895 | 0.731183 |
332 | 6K6 | 0.407407 | 0.833333 |
333 | N5O | 0.40625 | 0.703704 |
334 | A3T | 0.405941 | 0.75641 |
335 | BUA COA | 0.405797 | 0.73913 |
336 | K2K | 0.405405 | 0.682353 |
337 | R2V | 0.405405 | 0.692308 |
338 | 8Q2 | 0.404959 | 0.702128 |
339 | AIR | 0.404494 | 0.805195 |
340 | 0UM | 0.40367 | 0.666667 |
341 | 6FA | 0.402878 | 0.761364 |
342 | AAM | 0.402062 | 0.868421 |
343 | FB0 | 0.40146 | 0.712766 |
344 | 6NA COA | 0.401408 | 0.723404 |
345 | K2H | 0.4 | 0.698795 |
346 | ACK | 0.4 | 0.792208 |
347 | 7DD | 0.4 | 0.857143 |
348 | APC G U | 0.4 | 0.795181 |
349 | 62X | 0.4 | 0.637363 |
This union binding pocket(no: 1) in the query (biounit: 3ar5.bio1) has 34 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |