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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 1 families. | |||||
1 | 5BSV | - | 4UW | C20 H22 N5 O10 P | COC1=CC(=C.... |
2 | 5BSW | - | 4UW | C20 H22 N5 O10 P | COC1=CC(=C.... |
3 | 5BST | - | 4UU | C19 H20 N5 O9 P | c1nc(c2c(n.... |
4 | 5BSU | - | 4UV | C19 H18 N5 O10 P | c1nc(c2c(n.... |
5 | 5BSM | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
6 | 5BSR | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 5BSV | - | 4UW | C20 H22 N5 O10 P | COC1=CC(=C.... |
2 | 5BSW | - | 4UW | C20 H22 N5 O10 P | COC1=CC(=C.... |
3 | 5BST | - | 4UU | C19 H20 N5 O9 P | c1nc(c2c(n.... |
4 | 5BSU | - | 4UV | C19 H18 N5 O10 P | c1nc(c2c(n.... |
5 | 5BSM | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
6 | 5BSR | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
7 | 3IES | Kd ~ 120 pM | M24 | C25 H21 F N7 O9 P | c1ccc(c(c1.... |
8 | 6K4C | - | SLU | C21 H18 N8 O8 S3 | c1cc2c(cc1.... |
9 | 6K4D | - | ESJ | C11 H8 N2 O3 S2 | c1cc2c(cc1.... |
10 | 2D1T | - | SLU | C21 H18 N8 O8 S3 | c1cc2c(cc1.... |
11 | 2D1S | - | SLU | C21 H18 N8 O8 S3 | c1cc2c(cc1.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 4UU | 1 | 1 |
2 | 4UV | 0.762376 | 1 |
3 | 4UW | 0.752381 | 0.961039 |
4 | KG4 | 0.663158 | 0.921053 |
5 | CA0 | 0.652632 | 0.921053 |
6 | 5AL | 0.63 | 0.933333 |
7 | 8LH | 0.617647 | 0.909091 |
8 | A2D | 0.617021 | 0.92 |
9 | 8LE | 0.613861 | 0.897436 |
10 | PRX | 0.606061 | 0.848101 |
11 | QA7 | 0.605769 | 0.897436 |
12 | BA3 | 0.604167 | 0.92 |
13 | SRP | 0.601942 | 0.909091 |
14 | 8QN | 0.6 | 0.933333 |
15 | ADP | 0.597938 | 0.894737 |
16 | B4P | 0.597938 | 0.92 |
17 | AP5 | 0.597938 | 0.92 |
18 | 4AD | 0.59434 | 0.897436 |
19 | AT4 | 0.591837 | 0.860759 |
20 | AN2 | 0.591837 | 0.883117 |
21 | 8LQ | 0.590476 | 0.909091 |
22 | ANP | 0.588235 | 0.871795 |
23 | 1ZZ | 0.587156 | 0.843373 |
24 | ADX | 0.585859 | 0.809524 |
25 | M33 | 0.585859 | 0.883117 |
26 | A | 0.585106 | 0.893333 |
27 | AMP | 0.585106 | 0.893333 |
28 | OOB | 0.584906 | 0.959459 |
29 | ACP | 0.58 | 0.871795 |
30 | 50T | 0.58 | 0.858974 |
31 | ATP | 0.58 | 0.894737 |
32 | HEJ | 0.58 | 0.894737 |
33 | PAJ | 0.579439 | 0.864198 |
34 | AMO | 0.579439 | 0.909091 |
35 | PR8 | 0.577982 | 0.853659 |
36 | WAQ | 0.577982 | 0.886076 |
37 | B5V | 0.577982 | 0.934211 |
38 | 9SN | 0.576577 | 0.898734 |
39 | AR6 | 0.574257 | 0.92 |
40 | AQP | 0.574257 | 0.894737 |
41 | APR | 0.574257 | 0.92 |
42 | 5FA | 0.574257 | 0.894737 |
43 | 00A | 0.574074 | 0.910256 |
44 | DLL | 0.574074 | 0.959459 |
45 | TXA | 0.572727 | 0.909091 |
46 | B5M | 0.571429 | 0.922078 |
47 | 5SV | 0.570093 | 0.807229 |
48 | 3UK | 0.568807 | 0.946667 |
49 | AD9 | 0.568627 | 0.871795 |
50 | AGS | 0.568627 | 0.85 |
51 | 45A | 0.56701 | 0.87013 |
52 | ABM | 0.56701 | 0.87013 |
53 | LAD | 0.563636 | 0.864198 |
54 | SRA | 0.5625 | 0.848101 |
55 | AMP MG | 0.5625 | 0.88 |
56 | ATF | 0.561905 | 0.860759 |
57 | AHX | 0.559633 | 0.851852 |
58 | PTJ | 0.558559 | 0.875 |
59 | NB8 | 0.558559 | 0.875 |
60 | ME8 | 0.558559 | 0.843373 |
61 | GAP | 0.557692 | 0.896104 |
62 | ACQ | 0.557692 | 0.871795 |
63 | B5Y | 0.557522 | 0.922078 |
64 | A12 | 0.555556 | 0.860759 |
65 | AP2 | 0.555556 | 0.860759 |
66 | AU1 | 0.554455 | 0.871795 |
67 | A3R | 0.550459 | 0.839506 |
68 | YLC | 0.55 | 0.865854 |
69 | 3OD | 0.544643 | 0.921053 |
70 | SON | 0.544554 | 0.909091 |
71 | FA5 | 0.54386 | 0.934211 |
72 | LAQ | 0.542373 | 0.843373 |
73 | 6YZ | 0.542056 | 0.871795 |
74 | OAD | 0.540541 | 0.921053 |
75 | V2G | 0.537736 | 0.875 |
76 | HQG | 0.537037 | 0.907895 |
77 | A1R | 0.536364 | 0.839506 |
78 | A22 | 0.53211 | 0.907895 |
79 | MAP | 0.53211 | 0.85 |
80 | JNT | 0.531532 | 0.871795 |
81 | ADP MG | 0.529412 | 0.893333 |
82 | ADP BEF | 0.529412 | 0.893333 |
83 | APC | 0.528846 | 0.860759 |
84 | TAT | 0.528302 | 0.860759 |
85 | T99 | 0.528302 | 0.860759 |
86 | OZV | 0.527273 | 0.894737 |
87 | 25A | 0.527273 | 0.92 |
88 | 9ZA | 0.527273 | 0.886076 |
89 | 9ZD | 0.527273 | 0.886076 |
90 | 9X8 | 0.526786 | 0.873418 |
91 | XAH | 0.525862 | 0.821429 |
92 | YLP | 0.525 | 0.823529 |
93 | ADV | 0.52381 | 0.884615 |
94 | RBY | 0.52381 | 0.884615 |
95 | ADQ | 0.522523 | 0.921053 |
96 | 6V0 | 0.520661 | 0.948052 |
97 | DAL AMP | 0.518182 | 0.907895 |
98 | BIS | 0.517544 | 0.839506 |
99 | FYA | 0.517544 | 0.883117 |
100 | G3A | 0.516949 | 0.875 |
101 | IOT | 0.516129 | 0.813953 |
102 | MYR AMP | 0.513043 | 0.821429 |
103 | G5P | 0.512605 | 0.875 |
104 | YLB | 0.512195 | 0.823529 |
105 | APC MG | 0.509434 | 0.87013 |
106 | ATP MG | 0.509434 | 0.893333 |
107 | ADP PO3 | 0.509434 | 0.893333 |
108 | GTA | 0.508333 | 0.843373 |
109 | DQV | 0.508333 | 0.933333 |
110 | NAX | 0.508197 | 0.924051 |
111 | UP5 | 0.508197 | 0.922078 |
112 | NAI | 0.508197 | 0.960526 |
113 | BEF ADP | 0.504673 | 0.87013 |
114 | KMQ | 0.504274 | 0.909091 |
115 | OMR | 0.504065 | 0.833333 |
116 | TYM | 0.504065 | 0.934211 |
117 | L3W | 0.5 | 0.934211 |
118 | UPA | 0.5 | 0.910256 |
119 | 139 | 0.5 | 0.876543 |
120 | 4TC | 0.5 | 0.898734 |
121 | 48N | 0.5 | 0.875 |
122 | YLA | 0.5 | 0.845238 |
123 | 25L | 0.5 | 0.907895 |
124 | BT5 | 0.496124 | 0.813953 |
125 | AYB | 0.496063 | 0.813953 |
126 | A4P | 0.496 | 0.847059 |
127 | DND | 0.495935 | 0.934211 |
128 | TXD | 0.495935 | 0.910256 |
129 | TXE | 0.491935 | 0.910256 |
130 | VO4 ADP | 0.490909 | 0.871795 |
131 | ANP MG | 0.490909 | 0.883117 |
132 | ALF ADP | 0.490909 | 0.82716 |
133 | LMS | 0.49 | 0.788235 |
134 | NAD | 0.488372 | 0.933333 |
135 | T5A | 0.488189 | 0.890244 |
136 | GA7 | 0.487603 | 0.860759 |
137 | CNA | 0.484375 | 0.909091 |
138 | YLY | 0.481203 | 0.813953 |
139 | D4F | 0.477612 | 0.865854 |
140 | A5A | 0.477477 | 0.790698 |
141 | BTX | 0.476923 | 0.802326 |
142 | ADJ | 0.476562 | 0.901235 |
143 | AP0 | 0.47619 | 0.923077 |
144 | LPA AMP | 0.475806 | 0.821429 |
145 | AFH | 0.47541 | 0.864198 |
146 | 5CD | 0.473684 | 0.763158 |
147 | TAD | 0.471545 | 0.841463 |
148 | N0B | 0.470588 | 0.86747 |
149 | M24 | 0.470149 | 0.876543 |
150 | A3D | 0.469697 | 0.921053 |
151 | F2R | 0.469231 | 0.823529 |
152 | NAE | 0.466667 | 0.897436 |
153 | ATP A | 0.466667 | 0.906667 |
154 | ATP A A A | 0.466667 | 0.906667 |
155 | JB6 | 0.466102 | 0.8625 |
156 | AOC | 0.466019 | 0.802632 |
157 | G5A | 0.463636 | 0.764045 |
158 | ARG AMP | 0.463415 | 0.811765 |
159 | 7MD | 0.463415 | 0.843373 |
160 | 5AS | 0.462264 | 0.744444 |
161 | ADP BMA | 0.461538 | 0.896104 |
162 | 2A5 | 0.458716 | 0.825 |
163 | ADN | 0.457447 | 0.776316 |
164 | RAB | 0.457447 | 0.776316 |
165 | XYA | 0.457447 | 0.776316 |
166 | VMS | 0.45614 | 0.772727 |
167 | 52H | 0.45614 | 0.764045 |
168 | 54H | 0.45614 | 0.772727 |
169 | PAP | 0.454545 | 0.881579 |
170 | COD | 0.454545 | 0.775281 |
171 | ITT | 0.453704 | 0.844156 |
172 | NAD TDB | 0.453125 | 0.92 |
173 | NAD IBO | 0.453125 | 0.92 |
174 | A3P | 0.45283 | 0.893333 |
175 | NAQ | 0.452555 | 0.875 |
176 | 8X1 | 0.452174 | 0.73913 |
177 | TSB | 0.452174 | 0.781609 |
178 | 5X8 | 0.449541 | 0.769231 |
179 | ZID | 0.449275 | 0.921053 |
180 | 5N5 | 0.447917 | 0.753247 |
181 | 80F | 0.447761 | 0.91358 |
182 | SSA | 0.447368 | 0.764045 |
183 | AMP DBH | 0.447154 | 0.871795 |
184 | P5A | 0.445378 | 0.731183 |
185 | DSZ | 0.444444 | 0.784091 |
186 | AHZ | 0.444444 | 0.821429 |
187 | A4D | 0.443299 | 0.753247 |
188 | EAD | 0.442857 | 0.924051 |
189 | PPS | 0.442478 | 0.788235 |
190 | 6RE | 0.442308 | 0.702381 |
191 | 7MC | 0.44186 | 0.823529 |
192 | ATR | 0.441441 | 0.868421 |
193 | DZD | 0.440298 | 0.864198 |
194 | DTA | 0.44 | 0.769231 |
195 | 53H | 0.439655 | 0.764045 |
196 | 5CA | 0.439655 | 0.764045 |
197 | YSA | 0.439024 | 0.784091 |
198 | 38V | 0.438849 | 0.843373 |
199 | 3AM | 0.436893 | 0.855263 |
200 | H1Q | 0.436364 | 0.857143 |
201 | MTA | 0.435644 | 0.734177 |
202 | NDC | 0.434483 | 0.875 |
203 | ALF ADP 3PG | 0.434109 | 0.841463 |
204 | AF3 ADP 3PG | 0.434109 | 0.841463 |
205 | A3N | 0.433962 | 0.746835 |
206 | J7C | 0.433962 | 0.710843 |
207 | AMP NAD | 0.432836 | 0.933333 |
208 | LSS | 0.432203 | 0.747253 |
209 | NSS | 0.432203 | 0.764045 |
210 | 7D5 | 0.431373 | 0.810127 |
211 | A2R | 0.431034 | 0.907895 |
212 | P1H | 0.430556 | 0.901235 |
213 | EP4 | 0.43 | 0.716049 |
214 | 7D3 | 0.429907 | 0.8125 |
215 | 9K8 | 0.429752 | 0.73913 |
216 | AR6 AR6 | 0.428571 | 0.92 |
217 | NVA LMS | 0.428571 | 0.73913 |
218 | ARU | 0.428571 | 0.776471 |
219 | 7D4 | 0.427273 | 0.8125 |
220 | 3DH | 0.427184 | 0.734177 |
221 | A2P | 0.425926 | 0.88 |
222 | M2T | 0.425743 | 0.698795 |
223 | 6FA | 0.425676 | 0.823529 |
224 | LEU LMS | 0.425 | 0.736264 |
225 | FB0 | 0.424658 | 0.75 |
226 | NAJ PZO | 0.423358 | 0.923077 |
227 | SMM | 0.422414 | 0.693182 |
228 | 4TA | 0.422222 | 0.878049 |
229 | 0WD | 0.422222 | 0.948052 |
230 | GSU | 0.421488 | 0.784091 |
231 | KAA | 0.421488 | 0.73913 |
232 | NDE | 0.42069 | 0.909091 |
233 | 7C5 | 0.420635 | 0.822785 |
234 | IMO | 0.420561 | 0.855263 |
235 | ZAS | 0.419048 | 0.728395 |
236 | FDA | 0.418919 | 0.837209 |
237 | 6AD | 0.417391 | 0.819277 |
238 | AAT | 0.417391 | 0.714286 |
239 | GJV | 0.416667 | 0.694118 |
240 | NJP | 0.414815 | 0.897436 |
241 | NWW | 0.414141 | 0.72 |
242 | NA7 | 0.413223 | 0.860759 |
243 | MAO | 0.412844 | 0.724138 |
244 | JSQ | 0.412281 | 0.85 |
245 | HFD | 0.412281 | 0.85 |
246 | NAJ PYZ | 0.411348 | 0.878049 |
247 | DSH | 0.411215 | 0.690476 |
248 | SFG | 0.410714 | 0.75641 |
249 | CUU | 0.410714 | 0.87013 |
250 | SFD | 0.410596 | 0.721649 |
251 | FNK | 0.409091 | 0.808989 |
252 | V3L | 0.408696 | 0.92 |
253 | 3AT | 0.408696 | 0.87013 |
254 | 8PZ | 0.408 | 0.784091 |
255 | KOY | 0.407692 | 0.831169 |
256 | NO7 | 0.40678 | 0.860759 |
257 | LQJ | 0.404762 | 0.894737 |
258 | B1U | 0.404762 | 0.741935 |
259 | ODP | 0.404412 | 0.8875 |
260 | S4M | 0.40367 | 0.637363 |
261 | 6MZ | 0.40367 | 0.857143 |
262 | SA8 | 0.403509 | 0.714286 |
263 | AV2 | 0.401709 | 0.822785 |
264 | QXG | 0.401639 | 0.741573 |
265 | WSA | 0.401515 | 0.793103 |
266 | 649 | 0.401515 | 0.75 |
267 | NHD | 0.40146 | 0.907895 |
268 | FAD | 0.401316 | 0.833333 |
269 | FAS | 0.401316 | 0.833333 |
270 | SAI | 0.4 | 0.740741 |
271 | AVV | 0.4 | 0.829268 |
272 | NPW | 0.4 | 0.9125 |
273 | O02 | 0.4 | 0.829268 |
274 | SAH | 0.4 | 0.75 |
275 | 2AM | 0.4 | 0.844156 |
276 | 62F | 0.4 | 0.821429 |
277 | NDP | 0.4 | 0.948052 |
This union binding pocket(no: 2) in the query (biounit: 5bsr.bio1) has 42 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6IJB | AMP | 43.0427 |
2 | 6IJB | A8C | 43.0427 |