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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 277 families. | |||||
1 | 2H1F | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
2 | 2H1H | ic50 = 30 uM | AFH | C17 H26 F N5 O15 P2 | c1nc(c2c(n.... |
3 | 6DFE | - | GN1 GN4 KDO KDO | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 212 families. | |||||
1 | 2H1F | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
2 | 2H1H | ic50 = 30 uM | AFH | C17 H26 F N5 O15 P2 | c1nc(c2c(n.... |
3 | 6DFE | - | GN1 GN4 KDO KDO | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | GA7 | 1 | 1 |
2 | A2D | 0.617021 | 0.932432 |
3 | AFH | 0.607143 | 0.898734 |
4 | BA3 | 0.604167 | 0.932432 |
5 | M33 | 0.602041 | 0.92 |
6 | 8LH | 0.601942 | 0.921053 |
7 | 5AL | 0.598039 | 0.894737 |
8 | AP5 | 0.597938 | 0.932432 |
9 | B4P | 0.597938 | 0.932432 |
10 | ADP | 0.597938 | 0.906667 |
11 | ACP | 0.59596 | 0.907895 |
12 | AT4 | 0.591837 | 0.871795 |
13 | AN2 | 0.591837 | 0.894737 |
14 | 8LQ | 0.590476 | 0.921053 |
15 | PRX | 0.59 | 0.907895 |
16 | SRP | 0.586538 | 0.896104 |
17 | CA0 | 0.585859 | 0.883117 |
18 | ADX | 0.585859 | 0.819277 |
19 | AMP | 0.585106 | 0.905405 |
20 | A | 0.585106 | 0.905405 |
21 | 8QN | 0.584906 | 0.894737 |
22 | AGS | 0.584158 | 0.860759 |
23 | 45A | 0.583333 | 0.906667 |
24 | ABM | 0.583333 | 0.906667 |
25 | 50T | 0.58 | 0.894737 |
26 | ATP | 0.58 | 0.906667 |
27 | KG4 | 0.58 | 0.883117 |
28 | HEJ | 0.58 | 0.906667 |
29 | ATF | 0.576923 | 0.871795 |
30 | QA7 | 0.575472 | 0.884615 |
31 | AR6 | 0.574257 | 0.906667 |
32 | AQP | 0.574257 | 0.906667 |
33 | APR | 0.574257 | 0.906667 |
34 | 5FA | 0.574257 | 0.906667 |
35 | ACQ | 0.572816 | 0.907895 |
36 | AP2 | 0.571429 | 0.896104 |
37 | A12 | 0.571429 | 0.896104 |
38 | AD9 | 0.568627 | 0.883117 |
39 | 8LE | 0.567308 | 0.860759 |
40 | PAJ | 0.564815 | 0.898734 |
41 | AMP MG | 0.5625 | 0.891892 |
42 | JNT | 0.559633 | 0.933333 |
43 | TXA | 0.558559 | 0.896104 |
44 | ANP | 0.557692 | 0.883117 |
45 | 6YZ | 0.556604 | 0.907895 |
46 | OZV | 0.555556 | 0.906667 |
47 | APC MG | 0.553398 | 0.857143 |
48 | 4AD | 0.550459 | 0.884615 |
49 | SRA | 0.546392 | 0.858974 |
50 | DAL AMP | 0.546296 | 0.87013 |
51 | AHX | 0.545455 | 0.886076 |
52 | PTJ | 0.544643 | 0.8625 |
53 | APC | 0.543689 | 0.896104 |
54 | 5SV | 0.541284 | 0.8625 |
55 | OAD | 0.540541 | 0.907895 |
56 | 9X8 | 0.540541 | 0.884615 |
57 | AU1 | 0.539216 | 0.883117 |
58 | ADV | 0.538462 | 0.896104 |
59 | RBY | 0.538462 | 0.896104 |
60 | HQG | 0.537037 | 0.894737 |
61 | AMO | 0.536364 | 0.896104 |
62 | ADQ | 0.536364 | 0.933333 |
63 | LAD | 0.535714 | 0.851852 |
64 | A22 | 0.53211 | 0.92 |
65 | DLL | 0.531532 | 0.894737 |
66 | 3OD | 0.530973 | 0.907895 |
67 | FYA | 0.530973 | 0.92 |
68 | ME8 | 0.530973 | 0.853659 |
69 | ADP MG | 0.529412 | 0.88 |
70 | ADP BEF | 0.529412 | 0.88 |
71 | TAT | 0.528302 | 0.871795 |
72 | T99 | 0.528302 | 0.871795 |
73 | 9ZD | 0.527273 | 0.85 |
74 | OOB | 0.527273 | 0.894737 |
75 | 9ZA | 0.527273 | 0.85 |
76 | 25A | 0.527273 | 0.906667 |
77 | 3UK | 0.526786 | 0.883117 |
78 | 48N | 0.525 | 0.886076 |
79 | A3R | 0.522523 | 0.897436 |
80 | A1R | 0.522523 | 0.897436 |
81 | B5V | 0.522124 | 0.871795 |
82 | 00A | 0.517857 | 0.85 |
83 | BIS | 0.517544 | 0.85 |
84 | NB8 | 0.517544 | 0.8625 |
85 | 1ZZ | 0.517544 | 0.831325 |
86 | SON | 0.514563 | 0.871795 |
87 | XAH | 0.512821 | 0.831325 |
88 | ADP PO3 | 0.509434 | 0.88 |
89 | ATP MG | 0.509434 | 0.88 |
90 | V2G | 0.509259 | 0.8625 |
91 | WAQ | 0.508772 | 0.85 |
92 | PR8 | 0.508772 | 0.841463 |
93 | BEF ADP | 0.504673 | 0.857143 |
94 | ALF ADP | 0.504587 | 0.814815 |
95 | MAP | 0.504505 | 0.860759 |
96 | B5Y | 0.504274 | 0.884615 |
97 | KMQ | 0.504274 | 0.896104 |
98 | B5M | 0.504274 | 0.884615 |
99 | FA5 | 0.504274 | 0.896104 |
100 | GAP | 0.5 | 0.858974 |
101 | ADJ | 0.5 | 0.821429 |
102 | 25L | 0.5 | 0.92 |
103 | AP0 | 0.5 | 0.886076 |
104 | GTA | 0.495868 | 0.853659 |
105 | DQV | 0.495868 | 0.92 |
106 | 4UV | 0.495798 | 0.860759 |
107 | 9SN | 0.495726 | 0.839506 |
108 | LAQ | 0.491803 | 0.788235 |
109 | VO4 ADP | 0.490909 | 0.858974 |
110 | ANP MG | 0.490909 | 0.87013 |
111 | LMS | 0.49 | 0.776471 |
112 | YLP | 0.487805 | 0.833333 |
113 | 4UU | 0.487603 | 0.860759 |
114 | UP5 | 0.483871 | 0.884615 |
115 | TXD | 0.483871 | 0.873418 |
116 | DND | 0.483871 | 0.896104 |
117 | 4UW | 0.483871 | 0.851852 |
118 | A3D | 0.480916 | 0.907895 |
119 | G3A | 0.479339 | 0.8625 |
120 | JB6 | 0.478632 | 0.873418 |
121 | TSB | 0.477876 | 0.790698 |
122 | COD | 0.476923 | 0.847059 |
123 | YLC | 0.47619 | 0.853659 |
124 | L3W | 0.47619 | 0.871795 |
125 | 4TC | 0.47619 | 0.886076 |
126 | YLB | 0.47619 | 0.855422 |
127 | 5AS | 0.47619 | 0.772727 |
128 | G5P | 0.47541 | 0.8625 |
129 | ADP BMA | 0.474138 | 0.907895 |
130 | NAX | 0.472 | 0.864198 |
131 | NAI | 0.472 | 0.873418 |
132 | 6V0 | 0.472 | 0.8625 |
133 | TAD | 0.471545 | 0.851852 |
134 | AMP DBH | 0.471074 | 0.883117 |
135 | VMS | 0.469027 | 0.761364 |
136 | 54H | 0.469027 | 0.761364 |
137 | IOT | 0.46875 | 0.802326 |
138 | OMR | 0.468254 | 0.843373 |
139 | TYM | 0.468254 | 0.896104 |
140 | TXE | 0.468254 | 0.873418 |
141 | NAE | 0.466667 | 0.909091 |
142 | AOC | 0.466019 | 0.789474 |
143 | T5A | 0.465116 | 0.855422 |
144 | UPA | 0.464567 | 0.897436 |
145 | A5A | 0.464286 | 0.77907 |
146 | NAQ | 0.463235 | 0.8625 |
147 | SFG | 0.462963 | 0.74359 |
148 | MYR AMP | 0.462185 | 0.809524 |
149 | AYB | 0.461538 | 0.845238 |
150 | A4P | 0.460938 | 0.813953 |
151 | F2R | 0.458015 | 0.833333 |
152 | XYA | 0.457447 | 0.835616 |
153 | ADN | 0.457447 | 0.835616 |
154 | RAB | 0.457447 | 0.835616 |
155 | 52H | 0.45614 | 0.752809 |
156 | NAD | 0.454545 | 0.894737 |
157 | ATP A | 0.454545 | 0.893333 |
158 | BTX | 0.454545 | 0.790698 |
159 | ATP A A A | 0.454545 | 0.893333 |
160 | M2T | 0.454545 | 0.75 |
161 | 139 | 0.453846 | 0.864198 |
162 | YLA | 0.453846 | 0.811765 |
163 | 7MC | 0.453125 | 0.855422 |
164 | BT5 | 0.451128 | 0.781609 |
165 | CNA | 0.450382 | 0.896104 |
166 | YLY | 0.448529 | 0.845238 |
167 | 5N5 | 0.447917 | 0.810811 |
168 | SSA | 0.447368 | 0.793103 |
169 | 2A5 | 0.445455 | 0.883117 |
170 | ALF ADP 3PG | 0.445312 | 0.807229 |
171 | AF3 ADP 3PG | 0.445312 | 0.807229 |
172 | LSS | 0.444444 | 0.775281 |
173 | EP4 | 0.444444 | 0.769231 |
174 | AHZ | 0.444444 | 0.788235 |
175 | A4D | 0.443299 | 0.810811 |
176 | 5CD | 0.443299 | 0.773333 |
177 | PAP | 0.441441 | 0.893333 |
178 | ATR | 0.441441 | 0.88 |
179 | 3DH | 0.441176 | 0.766234 |
180 | LPA AMP | 0.440945 | 0.767442 |
181 | ITT | 0.440367 | 0.855263 |
182 | 7MD | 0.44 | 0.853659 |
183 | ARG AMP | 0.44 | 0.8 |
184 | 53H | 0.439655 | 0.752809 |
185 | 5CA | 0.439655 | 0.793103 |
186 | A3P | 0.439252 | 0.88 |
187 | N0B | 0.438849 | 0.833333 |
188 | M24 | 0.437956 | 0.819277 |
189 | G5A | 0.4375 | 0.772727 |
190 | 80F | 0.437037 | 0.833333 |
191 | LEU LMS | 0.436975 | 0.764045 |
192 | H1Q | 0.436364 | 0.868421 |
193 | MTA | 0.435644 | 0.789474 |
194 | FB0 | 0.434483 | 0.818182 |
195 | IMO | 0.433962 | 0.842105 |
196 | EAD | 0.432624 | 0.864198 |
197 | DSZ | 0.432203 | 0.772727 |
198 | 7D5 | 0.431373 | 0.844156 |
199 | A2R | 0.431034 | 0.894737 |
200 | NAD TDB | 0.430769 | 0.881579 |
201 | NAD IBO | 0.430769 | 0.881579 |
202 | NDE | 0.430556 | 0.871795 |
203 | S4M | 0.429907 | 0.72093 |
204 | 7D3 | 0.429907 | 0.846154 |
205 | 6AD | 0.429825 | 0.851852 |
206 | PPS | 0.429825 | 0.797619 |
207 | 9K8 | 0.429752 | 0.709677 |
208 | 6RE | 0.428571 | 0.753086 |
209 | ZID | 0.428571 | 0.883117 |
210 | AR6 AR6 | 0.428571 | 0.881579 |
211 | NVA LMS | 0.428571 | 0.766667 |
212 | YSA | 0.427419 | 0.772727 |
213 | 7D4 | 0.427273 | 0.846154 |
214 | MAO | 0.425926 | 0.795181 |
215 | A2P | 0.425926 | 0.866667 |
216 | DTA | 0.425743 | 0.779221 |
217 | D4F | 0.42446 | 0.809524 |
218 | 3AM | 0.423077 | 0.891892 |
219 | GSU | 0.421488 | 0.752809 |
220 | KAA | 0.421488 | 0.747253 |
221 | J7C | 0.420561 | 0.7625 |
222 | NSS | 0.420168 | 0.772727 |
223 | DZD | 0.419118 | 0.875 |
224 | FDA | 0.418919 | 0.825581 |
225 | A7D | 0.418182 | 0.792208 |
226 | ARU | 0.416667 | 0.807229 |
227 | 6MZ | 0.416667 | 0.893333 |
228 | 6FA | 0.416107 | 0.855422 |
229 | 8X1 | 0.415254 | 0.747253 |
230 | AV2 | 0.413793 | 0.833333 |
231 | O02 | 0.412281 | 0.8625 |
232 | SAI | 0.412281 | 0.728395 |
233 | JSQ | 0.412281 | 0.860759 |
234 | HFD | 0.412281 | 0.860759 |
235 | 4TA | 0.411765 | 0.821429 |
236 | AMP NAD | 0.411765 | 0.87013 |
237 | DSH | 0.411215 | 0.740741 |
238 | P1H | 0.410959 | 0.865854 |
239 | 5X8 | 0.410714 | 0.75641 |
240 | SMM | 0.410256 | 0.72093 |
241 | P5A | 0.409836 | 0.73913 |
242 | 62F | 0.409091 | 0.9 |
243 | SAM | 0.408696 | 0.72619 |
244 | 6IA | 0.408696 | 0.875 |
245 | V3L | 0.408696 | 0.881579 |
246 | 38V | 0.408451 | 0.853659 |
247 | 0UM | 0.408333 | 0.756098 |
248 | A3N | 0.407407 | 0.779221 |
249 | NO7 | 0.40678 | 0.871795 |
250 | ZAS | 0.40566 | 0.7375 |
251 | NDC | 0.405405 | 0.839506 |
252 | AAT | 0.405172 | 0.722892 |
253 | B1U | 0.404762 | 0.712766 |
254 | Y3J | 0.40404 | 0.697368 |
255 | SA8 | 0.403509 | 0.743902 |
256 | MHZ | 0.401786 | 0.752941 |
257 | NA7 | 0.401639 | 0.896104 |
258 | FAS | 0.401316 | 0.865854 |
259 | FAD | 0.401316 | 0.865854 |
260 | SFD | 0.401316 | 0.747368 |
261 | 2AM | 0.4 | 0.905405 |
262 | NWW | 0.4 | 0.72973 |
263 | FNK | 0.4 | 0.818182 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | GN1 GN4 KDO KDO | 1 | 1 |
2 | GP1 GP4 KDO KDO KDO | 0.469388 | 0.833333 |
3 | GP1 Z9M KDO KDO KDO | 0.457516 | 0.833333 |
4 | KDA KDO KDO | 0.419847 | 0.617647 |
5 | KDO KDO KDO | 0.4 | 0.615385 |
No: | Ligand | Similarity coefficient |
---|
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 2h1h.bio1) has 29 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2h1h.bio2) has 39 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |