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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 5 families. | |||||
1 | 1QPG | - | MAP | C10 H16 Mg N6 O12 P3 | c1nc(c2c(n.... |
2 | 3PGK | - | 3PG | C3 H7 O7 P | C([C@H](C(.... |
3 | 5O7D | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
4 | 2WZC | - | ALF ADP 3PG | n/a | n/a |
5 | 5M3U | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
6 | 1HDI | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
7 | 2XE7 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
8 | 3C3B | - | CDP | C9 H15 N3 O11 P2 | C1=CN(C(=O.... |
9 | 4O3F | Kd = 2.78 uM | TZN | C19 H25 N5 O4 | COc1cc2c(c.... |
10 | 3C3A | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
11 | 1KF0 | Kd = 2.8 mM | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
12 | 5M1R | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
13 | 2ZGV | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
14 | 2WZB | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
15 | 1VJD | Kd = 0.286 mM | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
16 | 3C3C | - | CDP | C9 H15 N3 O11 P2 | C1=CN(C(=O.... |
17 | 5MXM | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
18 | 1VJC | Kd = 0.263 mM | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
19 | 2WZD | - | AF3 ADP 3PG | n/a | n/a |
20 | 3C39 | - | 3PG | C3 H7 O7 P | C([C@H](C(.... |
21 | 2XE8 | - | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
22 | 2YBE | - | LA8 ALF 3PG | n/a | n/a |
23 | 2XE6 | - | 3PG | C3 H7 O7 P | C([C@H](C(.... |
24 | 4O33 | Kd = 2.78 uM | TZN | C19 H25 N5 O4 | COc1cc2c(c.... |
25 | 5M6Z | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
26 | 2P9T | - | 3PG | C3 H7 O7 P | C([C@H](C(.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 13PK | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
2 | 16PK | - | BIS | C15 H22 F4 N5 O12 P3 | c1nc(c2c(n.... |
3 | 1QPG | - | MAP | C10 H16 Mg N6 O12 P3 | c1nc(c2c(n.... |
4 | 3PGK | - | 3PG | C3 H7 O7 P | C([C@H](C(.... |
5 | 2CUN | - | 3PG | C3 H7 O7 P | C([C@H](C(.... |
6 | 5O7D | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
7 | 2WZC | - | ALF ADP 3PG | n/a | n/a |
8 | 5M3U | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
9 | 1HDI | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
10 | 2XE7 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
11 | 3C3B | - | CDP | C9 H15 N3 O11 P2 | C1=CN(C(=O.... |
12 | 4O3F | Kd = 2.78 uM | TZN | C19 H25 N5 O4 | COc1cc2c(c.... |
13 | 3C3A | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
14 | 1KF0 | Kd = 2.8 mM | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
15 | 5M1R | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
16 | 2ZGV | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
17 | 2WZB | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
18 | 1VJD | Kd = 0.286 mM | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
19 | 3C3C | - | CDP | C9 H15 N3 O11 P2 | C1=CN(C(=O.... |
20 | 5MXM | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
21 | 1VJC | Kd = 0.263 mM | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
22 | 2WZD | - | AF3 ADP 3PG | n/a | n/a |
23 | 3C39 | - | 3PG | C3 H7 O7 P | C([C@H](C(.... |
24 | 2XE8 | - | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
25 | 2YBE | - | LA8 ALF 3PG | n/a | n/a |
26 | 2XE6 | - | 3PG | C3 H7 O7 P | C([C@H](C(.... |
27 | 4O33 | Kd = 2.78 uM | TZN | C19 H25 N5 O4 | COc1cc2c(c.... |
28 | 5M6Z | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
29 | 2P9T | - | 3PG | C3 H7 O7 P | C([C@H](C(.... |
30 | 6HXE | - | 3PG | C3 H7 O7 P | C([C@H](C(.... |
31 | 1VPE | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
32 | 1PHP | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
33 | 3ZLB | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | AF3 ADP 3PG | 1 | 1 |
2 | ALF ADP | 0.707071 | 0.961039 |
3 | ALF ADP 3PG | 0.696429 | 1 |
4 | ADP PO3 | 0.633663 | 0.883117 |
5 | ATP MG | 0.633663 | 0.883117 |
6 | BEF ADP | 0.627451 | 0.884615 |
7 | ADP MG | 0.626263 | 0.883117 |
8 | ADP BEF | 0.626263 | 0.883117 |
9 | VO4 ADP | 0.609524 | 0.8625 |
10 | AMP MG | 0.581633 | 0.87013 |
11 | ANP MG | 0.579439 | 0.85 |
12 | DAL AMP | 0.577982 | 0.897436 |
13 | GAP | 0.575472 | 0.886076 |
14 | ADP BMA | 0.571429 | 0.8625 |
15 | AHZ | 0.558333 | 0.813953 |
16 | ATP A | 0.547009 | 0.871795 |
17 | ATP A A A | 0.547009 | 0.871795 |
18 | A | 0.54 | 0.835443 |
19 | AMP | 0.54 | 0.835443 |
20 | A2D | 0.539216 | 0.8375 |
21 | ADP | 0.538462 | 0.8375 |
22 | AR6 AR6 | 0.528926 | 0.884615 |
23 | BA3 | 0.528846 | 0.8375 |
24 | A12 | 0.528846 | 0.829268 |
25 | AP2 | 0.528846 | 0.829268 |
26 | CA0 | 0.528302 | 0.8625 |
27 | NAD TDB | 0.528 | 0.884615 |
28 | NAD IBO | 0.528 | 0.884615 |
29 | APC MG | 0.527778 | 0.860759 |
30 | V2G | 0.527273 | 0.843373 |
31 | 5AL | 0.527273 | 0.873418 |
32 | NAJ PZO | 0.526718 | 0.821429 |
33 | AMP DBH | 0.525 | 0.839506 |
34 | ABM | 0.524272 | 0.814815 |
35 | 45A | 0.524272 | 0.814815 |
36 | AP5 | 0.52381 | 0.8375 |
37 | B4P | 0.52381 | 0.8375 |
38 | KG4 | 0.523364 | 0.8625 |
39 | 8LQ | 0.522124 | 0.875 |
40 | AT4 | 0.518868 | 0.807229 |
41 | AN2 | 0.518868 | 0.82716 |
42 | 8LH | 0.517857 | 0.851852 |
43 | SRP | 0.517857 | 0.875 |
44 | 8QN | 0.517544 | 0.873418 |
45 | MYR AMP | 0.516949 | 0.813953 |
46 | ARG AMP | 0.516393 | 0.825581 |
47 | M33 | 0.514019 | 0.82716 |
48 | PAJ | 0.513043 | 0.811765 |
49 | NAJ PYZ | 0.511111 | 0.825581 |
50 | ATP | 0.509259 | 0.8375 |
51 | HEJ | 0.509259 | 0.8375 |
52 | ACP | 0.509259 | 0.839506 |
53 | SRA | 0.504854 | 0.795181 |
54 | AQP | 0.504587 | 0.8375 |
55 | APR | 0.504587 | 0.860759 |
56 | APC | 0.504587 | 0.829268 |
57 | 5FA | 0.504587 | 0.8375 |
58 | AR6 | 0.504587 | 0.860759 |
59 | 9ZD | 0.504348 | 0.831325 |
60 | 9ZA | 0.504348 | 0.831325 |
61 | LPA AMP | 0.504 | 0.813953 |
62 | AMP NAD | 0.503817 | 0.897436 |
63 | AD9 | 0.5 | 0.839506 |
64 | 4AD | 0.5 | 0.8875 |
65 | ADX | 0.5 | 0.761364 |
66 | AU1 | 0.5 | 0.817073 |
67 | 8LE | 0.5 | 0.841463 |
68 | AGS | 0.5 | 0.797619 |
69 | AMO | 0.5 | 0.875 |
70 | TXA | 0.495798 | 0.851852 |
71 | PTJ | 0.495798 | 0.821429 |
72 | ME8 | 0.495798 | 0.813953 |
73 | JNT | 0.495726 | 0.839506 |
74 | AHX | 0.495726 | 0.821429 |
75 | QA7 | 0.495652 | 0.841463 |
76 | ATF | 0.495575 | 0.875 |
77 | 50T | 0.495413 | 0.82716 |
78 | 4TA | 0.492424 | 0.804598 |
79 | 48N | 0.492063 | 0.843373 |
80 | ANP | 0.491071 | 0.817073 |
81 | ACQ | 0.491071 | 0.839506 |
82 | T99 | 0.491071 | 0.807229 |
83 | TAT | 0.491071 | 0.807229 |
84 | PRX | 0.490909 | 0.795181 |
85 | SON | 0.490741 | 0.875 |
86 | LAD | 0.487395 | 0.833333 |
87 | A1R | 0.487179 | 0.809524 |
88 | A3R | 0.487179 | 0.809524 |
89 | RBY | 0.486486 | 0.851852 |
90 | ADV | 0.486486 | 0.851852 |
91 | A3D | 0.485075 | 0.8625 |
92 | TXE | 0.484375 | 0.809524 |
93 | JB6 | 0.483333 | 0.809524 |
94 | NB8 | 0.483333 | 0.843373 |
95 | NAE | 0.481752 | 0.841463 |
96 | NAD | 0.481203 | 0.873418 |
97 | AFH | 0.48 | 0.878049 |
98 | OAD | 0.478992 | 0.8625 |
99 | PO4 PO4 A A A A PO4 | 0.478992 | 0.846154 |
100 | 9X8 | 0.478992 | 0.819277 |
101 | OOB | 0.478632 | 0.873418 |
102 | 6YZ | 0.478261 | 0.839506 |
103 | 9SN | 0.47541 | 0.888889 |
104 | PR8 | 0.475 | 0.823529 |
105 | HQG | 0.474138 | 0.85 |
106 | FA5 | 0.471545 | 0.875 |
107 | B5M | 0.471545 | 0.841463 |
108 | Z5A | 0.471429 | 0.758242 |
109 | 3OD | 0.471074 | 0.8625 |
110 | DLL | 0.470588 | 0.873418 |
111 | 00A | 0.470588 | 0.876543 |
112 | TSB | 0.470085 | 0.736264 |
113 | MAP | 0.470085 | 0.819277 |
114 | A22 | 0.470085 | 0.82716 |
115 | AP0 | 0.469231 | 0.77907 |
116 | NAQ | 0.467626 | 0.821429 |
117 | LMS | 0.466667 | 0.741573 |
118 | 3UK | 0.466667 | 0.8625 |
119 | 5SV | 0.466102 | 0.758621 |
120 | OZV | 0.466102 | 0.8375 |
121 | TXD | 0.465116 | 0.809524 |
122 | NAI | 0.465116 | 0.809524 |
123 | B5V | 0.46281 | 0.851852 |
124 | WAQ | 0.46281 | 0.853659 |
125 | ADQ | 0.462185 | 0.839506 |
126 | TYM | 0.461538 | 0.875 |
127 | B5Y | 0.459677 | 0.841463 |
128 | NMN AMP PO4 | 0.459259 | 0.841463 |
129 | BIS | 0.459016 | 0.853659 |
130 | 1ZZ | 0.459016 | 0.793103 |
131 | FYA | 0.459016 | 0.82716 |
132 | AOC | 0.457944 | 0.75 |
133 | G5A | 0.45614 | 0.73913 |
134 | XAH | 0.456 | 0.793103 |
135 | NDE | 0.455172 | 0.851852 |
136 | 5AS | 0.454545 | 0.702128 |
137 | LEU LMS | 0.454545 | 0.75 |
138 | ZID | 0.453901 | 0.8625 |
139 | NAX | 0.453846 | 0.802326 |
140 | 6V0 | 0.453846 | 0.8 |
141 | 25A | 0.453782 | 0.8375 |
142 | FAD T2C | 0.450617 | 0.731959 |
143 | NSS | 0.45 | 0.758242 |
144 | LAQ | 0.449612 | 0.793103 |
145 | N01 | 0.449275 | 0.873418 |
146 | VMS | 0.449153 | 0.728261 |
147 | 52H | 0.449153 | 0.72043 |
148 | 54H | 0.449153 | 0.728261 |
149 | CNV FAD | 0.448718 | 0.752688 |
150 | DAL FAD PER | 0.447205 | 0.747368 |
151 | YLP | 0.446154 | 0.795455 |
152 | FAD NBT | 0.44586 | 0.714286 |
153 | GA7 | 0.445312 | 0.807229 |
154 | 7MD | 0.445312 | 0.813953 |
155 | A5A | 0.444444 | 0.744444 |
156 | 25L | 0.443548 | 0.82716 |
157 | DQV | 0.44186 | 0.85 |
158 | F2R | 0.441176 | 0.795455 |
159 | 4UV | 0.440945 | 0.841463 |
160 | SSA | 0.440678 | 0.73913 |
161 | NDP DTT | 0.439189 | 0.795455 |
162 | NAD BBN | 0.437909 | 0.816092 |
163 | G3A | 0.4375 | 0.8 |
164 | YLA | 0.437037 | 0.795455 |
165 | KMQ | 0.436508 | 0.829268 |
166 | YLC | 0.43609 | 0.813953 |
167 | YLB | 0.43609 | 0.795455 |
168 | 5CD | 0.435644 | 0.75641 |
169 | FAD CNX | 0.434783 | 0.693069 |
170 | NVA LMS | 0.434426 | 0.734043 |
171 | XYA | 0.434343 | 0.746835 |
172 | ADN | 0.434343 | 0.746835 |
173 | RAB | 0.434343 | 0.746835 |
174 | 4UU | 0.434109 | 0.841463 |
175 | G5P | 0.434109 | 0.8 |
176 | 53H | 0.433333 | 0.72043 |
177 | 8X1 | 0.433333 | 0.715789 |
178 | 5CA | 0.433333 | 0.73913 |
179 | NAD CJ3 | 0.432258 | 0.788889 |
180 | P33 FDA | 0.432099 | 0.729167 |
181 | UP5 | 0.431818 | 0.819277 |
182 | DND | 0.431818 | 0.875 |
183 | 80F | 0.431655 | 0.795455 |
184 | FAD NBA | 0.431138 | 0.693069 |
185 | GDP ALF | 0.430894 | 0.902439 |
186 | TAD | 0.430769 | 0.811765 |
187 | GTA | 0.430769 | 0.793103 |
188 | H1Q | 0.429825 | 0.848101 |
189 | NDC | 0.42953 | 0.821429 |
190 | OMR | 0.428571 | 0.784091 |
191 | COD | 0.427536 | 0.75 |
192 | P5A | 0.427419 | 0.708333 |
193 | ADJ | 0.426471 | 0.764045 |
194 | LSS | 0.42623 | 0.723404 |
195 | DSZ | 0.42623 | 0.758242 |
196 | 5N5 | 0.425743 | 0.725 |
197 | 4TC | 0.425373 | 0.821429 |
198 | L3W | 0.425373 | 0.829268 |
199 | 7MC | 0.425373 | 0.795455 |
200 | 9K8 | 0.424 | 0.771739 |
201 | AYB | 0.423358 | 0.786517 |
202 | P6G FDA | 0.423313 | 0.752688 |
203 | A4P | 0.422222 | 0.73913 |
204 | A4D | 0.421569 | 0.725 |
205 | 4UW | 0.421053 | 0.811765 |
206 | IOT | 0.419118 | 0.786517 |
207 | DTA | 0.419048 | 0.719512 |
208 | 5X8 | 0.417391 | 0.7625 |
209 | COA FLC | 0.416667 | 0.769231 |
210 | 139 | 0.416058 | 0.781609 |
211 | KAA | 0.416 | 0.715789 |
212 | ENQ | 0.416 | 0.858974 |
213 | GSU | 0.416 | 0.758242 |
214 | A3N | 0.414414 | 0.698795 |
215 | BT5 | 0.414286 | 0.786517 |
216 | 8PZ | 0.414062 | 0.73913 |
217 | CNA | 0.413043 | 0.851852 |
218 | M24 | 0.412587 | 0.86747 |
219 | YLY | 0.412587 | 0.786517 |
220 | YSA | 0.410853 | 0.73913 |
221 | PAP | 0.410256 | 0.825 |
222 | EP4 | 0.409524 | 0.690476 |
223 | 6RE | 0.409091 | 0.717647 |
224 | NAD NDT | 0.408537 | 0.71 |
225 | NWW | 0.407767 | 0.692308 |
226 | 3DH | 0.407407 | 0.707317 |
227 | WSA | 0.407407 | 0.747253 |
228 | BTX | 0.407143 | 0.775281 |
229 | A3P | 0.40708 | 0.835443 |
230 | SAI | 0.40678 | 0.756098 |
231 | SAH | 0.40678 | 0.743902 |
232 | T5A | 0.405797 | 0.775281 |
233 | M2T | 0.40566 | 0.694118 |
234 | SFG | 0.405172 | 0.75 |
235 | SMM | 0.404959 | 0.707865 |
236 | 8Q2 | 0.404412 | 0.715789 |
237 | UPA | 0.404412 | 0.809524 |
238 | SAM | 0.403361 | 0.712644 |
239 | DJC FAD | 0.402174 | 0.776596 |
240 | MTA | 0.401869 | 0.707317 |
241 | J7C | 0.401786 | 0.705882 |
242 | 2A5 | 0.401709 | 0.795181 |
243 | EEM | 0.4 | 0.732558 |
244 | B1U | 0.4 | 0.701031 |
245 | D4F | 0.4 | 0.793103 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | LA8 ALF 3PG | 0.8730 |
This union binding pocket(no: 1) in the query (biounit: 4o33.bio1) has 45 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4o33.bio1) has 45 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |