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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 | 4UW | 1 | 1 |
2 | 4UU | 0.752381 | 0.961039 |
3 | 4UV | 0.700935 | 0.961039 |
4 | KG4 | 0.636364 | 0.886076 |
5 | CA0 | 0.626263 | 0.886076 |
6 | 5AL | 0.621359 | 0.922078 |
7 | 8LH | 0.609524 | 0.898734 |
8 | 8LE | 0.605769 | 0.8875 |
9 | QA7 | 0.598131 | 0.8875 |
10 | A2D | 0.591837 | 0.884615 |
11 | PAJ | 0.587156 | 0.855422 |
12 | 8LQ | 0.583333 | 0.898734 |
13 | 1ZZ | 0.580357 | 0.857143 |
14 | BA3 | 0.58 | 0.884615 |
15 | SRP | 0.579439 | 0.875 |
16 | M33 | 0.578431 | 0.897436 |
17 | 8QN | 0.577982 | 0.922078 |
18 | ADP | 0.574257 | 0.860759 |
19 | AP5 | 0.574257 | 0.884615 |
20 | B4P | 0.574257 | 0.884615 |
21 | ACP | 0.572816 | 0.839506 |
22 | 4AD | 0.572727 | 0.864198 |
23 | AT4 | 0.568627 | 0.829268 |
24 | AN2 | 0.568627 | 0.85 |
25 | 00A | 0.567568 | 0.876543 |
26 | DLL | 0.567568 | 0.922078 |
27 | PRX | 0.567308 | 0.839506 |
28 | PTJ | 0.566372 | 0.865854 |
29 | TXA | 0.566372 | 0.898734 |
30 | ANP | 0.566038 | 0.839506 |
31 | OOB | 0.563636 | 0.922078 |
32 | ADX | 0.563107 | 0.781609 |
33 | AMP | 0.561224 | 0.858974 |
34 | A | 0.561224 | 0.858974 |
35 | 45A | 0.56 | 0.884615 |
36 | ABM | 0.56 | 0.884615 |
37 | AMO | 0.558559 | 0.875 |
38 | ATP | 0.557692 | 0.860759 |
39 | HEJ | 0.557692 | 0.860759 |
40 | 50T | 0.557692 | 0.82716 |
41 | PR8 | 0.557522 | 0.823529 |
42 | WAQ | 0.557522 | 0.853659 |
43 | ME8 | 0.552632 | 0.857143 |
44 | AQP | 0.552381 | 0.860759 |
45 | 5FA | 0.552381 | 0.860759 |
46 | AR6 | 0.552381 | 0.884615 |
47 | APR | 0.552381 | 0.884615 |
48 | ACQ | 0.551402 | 0.839506 |
49 | 5SV | 0.54955 | 0.821429 |
50 | A12 | 0.54902 | 0.829268 |
51 | AP2 | 0.54902 | 0.829268 |
52 | 3UK | 0.548673 | 0.910256 |
53 | AD9 | 0.54717 | 0.839506 |
54 | AGS | 0.54717 | 0.819277 |
55 | LAD | 0.54386 | 0.833333 |
56 | B5V | 0.54386 | 0.898734 |
57 | ATF | 0.541284 | 0.829268 |
58 | AMP MG | 0.54 | 0.846154 |
59 | AHX | 0.539823 | 0.821429 |
60 | 3OD | 0.53913 | 0.910256 |
61 | NB8 | 0.53913 | 0.843373 |
62 | B5Y | 0.538462 | 0.911392 |
63 | B5M | 0.538462 | 0.911392 |
64 | SON | 0.538462 | 0.875 |
65 | LAQ | 0.53719 | 0.813953 |
66 | GAP | 0.537037 | 0.8625 |
67 | 6YZ | 0.536364 | 0.839506 |
68 | OAD | 0.535088 | 0.910256 |
69 | AU1 | 0.533333 | 0.839506 |
70 | YLC | 0.532258 | 0.857143 |
71 | HQG | 0.531532 | 0.873418 |
72 | A3R | 0.530973 | 0.809524 |
73 | 9SN | 0.529915 | 0.865854 |
74 | A22 | 0.526786 | 0.873418 |
75 | FA5 | 0.525424 | 0.898734 |
76 | SRA | 0.524752 | 0.817073 |
77 | APC | 0.523364 | 0.829268 |
78 | TAT | 0.522936 | 0.829268 |
79 | T99 | 0.522936 | 0.829268 |
80 | 9ZA | 0.522124 | 0.9 |
81 | 9ZD | 0.522124 | 0.9 |
82 | 25A | 0.522124 | 0.884615 |
83 | 9X8 | 0.521739 | 0.864198 |
84 | YLP | 0.520325 | 0.837209 |
85 | ADV | 0.518519 | 0.851852 |
86 | RBY | 0.518519 | 0.851852 |
87 | V2G | 0.518182 | 0.843373 |
88 | A1R | 0.517544 | 0.809524 |
89 | ADQ | 0.517544 | 0.886076 |
90 | DAL AMP | 0.513274 | 0.897436 |
91 | JNT | 0.513043 | 0.839506 |
92 | G3A | 0.512397 | 0.843373 |
93 | IOT | 0.511811 | 0.786517 |
94 | ADP MG | 0.509434 | 0.858974 |
95 | ADP BEF | 0.509434 | 0.858974 |
96 | OZV | 0.508772 | 0.860759 |
97 | MYR AMP | 0.508475 | 0.835294 |
98 | XAH | 0.508333 | 0.793103 |
99 | G5P | 0.508197 | 0.843373 |
100 | YLB | 0.507937 | 0.816092 |
101 | GTA | 0.504065 | 0.857143 |
102 | NAI | 0.504 | 0.924051 |
103 | KMQ | 0.5 | 0.898734 |
104 | OMR | 0.5 | 0.847059 |
105 | TYM | 0.5 | 0.898734 |
106 | MAP | 0.5 | 0.819277 |
107 | BIS | 0.5 | 0.809524 |
108 | 48N | 0.496 | 0.888889 |
109 | 25L | 0.495798 | 0.873418 |
110 | AYB | 0.492308 | 0.806818 |
111 | NAX | 0.492063 | 0.890244 |
112 | DQV | 0.491935 | 0.897436 |
113 | ADP PO3 | 0.490909 | 0.858974 |
114 | APC MG | 0.490909 | 0.8375 |
115 | ATP MG | 0.490909 | 0.858974 |
116 | FYA | 0.487395 | 0.85 |
117 | BEF ADP | 0.486486 | 0.8375 |
118 | LMS | 0.485437 | 0.761364 |
119 | T5A | 0.484615 | 0.880952 |
120 | 139 | 0.484615 | 0.845238 |
121 | YLA | 0.484615 | 0.816092 |
122 | L3W | 0.484375 | 0.898734 |
123 | AP0 | 0.484375 | 0.9125 |
124 | 4TC | 0.484375 | 0.865854 |
125 | GA7 | 0.483871 | 0.851852 |
126 | BT5 | 0.481203 | 0.786517 |
127 | CNA | 0.480916 | 0.875 |
128 | A4P | 0.48062 | 0.818182 |
129 | UP5 | 0.480315 | 0.8875 |
130 | 6V0 | 0.480315 | 0.9125 |
131 | DND | 0.480315 | 0.898734 |
132 | TXD | 0.480315 | 0.876543 |
133 | YLY | 0.477941 | 0.827586 |
134 | TXE | 0.476562 | 0.876543 |
135 | VO4 ADP | 0.473684 | 0.839506 |
136 | ALF ADP | 0.473684 | 0.797619 |
137 | ANP MG | 0.473684 | 0.85 |
138 | UPA | 0.472868 | 0.876543 |
139 | LPA AMP | 0.472441 | 0.793103 |
140 | ADP BMA | 0.470588 | 0.8625 |
141 | TAD | 0.468254 | 0.811765 |
142 | F2R | 0.466165 | 0.795455 |
143 | D4F | 0.463768 | 0.835294 |
144 | ATP A | 0.463415 | 0.871795 |
145 | ATP A A A | 0.463415 | 0.871795 |
146 | JB6 | 0.46281 | 0.831325 |
147 | NAD | 0.462687 | 0.897436 |
148 | COD | 0.462687 | 0.769231 |
149 | ADJ | 0.462121 | 0.869048 |
150 | A5A | 0.46087 | 0.784091 |
151 | AFH | 0.460317 | 0.833333 |
152 | 5AS | 0.458716 | 0.73913 |
153 | N0B | 0.457143 | 0.837209 |
154 | M24 | 0.456522 | 0.845238 |
155 | A3D | 0.455882 | 0.910256 |
156 | AHZ | 0.453125 | 0.835294 |
157 | VMS | 0.452991 | 0.766667 |
158 | 54H | 0.452991 | 0.766667 |
159 | 52H | 0.452991 | 0.758242 |
160 | BTX | 0.451852 | 0.775281 |
161 | PAP | 0.451327 | 0.848101 |
162 | A3P | 0.449541 | 0.858974 |
163 | 8X1 | 0.449153 | 0.715789 |
164 | TSB | 0.449153 | 0.775281 |
165 | 7MD | 0.448819 | 0.813953 |
166 | ARG AMP | 0.448819 | 0.784091 |
167 | AOC | 0.448598 | 0.772152 |
168 | G5A | 0.447368 | 0.73913 |
169 | NAE | 0.442857 | 0.8875 |
170 | P5A | 0.442623 | 0.708333 |
171 | 2A5 | 0.442478 | 0.795181 |
172 | EAD | 0.440559 | 0.91358 |
173 | 5CD | 0.44 | 0.734177 |
174 | NAQ | 0.439716 | 0.865854 |
175 | PPS | 0.439655 | 0.761364 |
176 | NAD IBO | 0.439394 | 0.884615 |
177 | NAD TDB | 0.439394 | 0.884615 |
178 | 7MC | 0.439394 | 0.837209 |
179 | 9K8 | 0.439024 | 0.734043 |
180 | XYA | 0.438776 | 0.746835 |
181 | RAB | 0.438776 | 0.746835 |
182 | ADN | 0.438776 | 0.746835 |
183 | ATR | 0.438596 | 0.835443 |
184 | DZD | 0.437956 | 0.833333 |
185 | 53H | 0.436975 | 0.758242 |
186 | ZID | 0.43662 | 0.886076 |
187 | 38V | 0.43662 | 0.813953 |
188 | 80F | 0.434783 | 0.880952 |
189 | LEU LMS | 0.434426 | 0.731183 |
190 | MTA | 0.432692 | 0.75 |
191 | FB0 | 0.432432 | 0.763441 |
192 | SSA | 0.432203 | 0.73913 |
193 | 5N5 | 0.43 | 0.725 |
194 | DSZ | 0.429752 | 0.758242 |
195 | LSS | 0.429752 | 0.741935 |
196 | A2R | 0.428571 | 0.873418 |
197 | P1H | 0.428571 | 0.891566 |
198 | 7D5 | 0.428571 | 0.780488 |
199 | 7D3 | 0.427273 | 0.783133 |
200 | EP4 | 0.427184 | 0.731707 |
201 | AR6 AR6 | 0.426357 | 0.884615 |
202 | NVA LMS | 0.42623 | 0.734043 |
203 | 6RE | 0.425926 | 0.678161 |
204 | A4D | 0.425743 | 0.725 |
205 | 5CA | 0.425 | 0.73913 |
206 | ITT | 0.424779 | 0.8125 |
207 | 7D4 | 0.424779 | 0.783133 |
208 | 3DH | 0.424528 | 0.728395 |
209 | 6FA | 0.423841 | 0.816092 |
210 | A2P | 0.423423 | 0.846154 |
211 | DTA | 0.423077 | 0.740741 |
212 | M2T | 0.423077 | 0.714286 |
213 | NDC | 0.422819 | 0.843373 |
214 | AMP DBH | 0.421875 | 0.839506 |
215 | ALF ADP 3PG | 0.421053 | 0.811765 |
216 | H1Q | 0.421053 | 0.825 |
217 | 5X8 | 0.421053 | 0.740741 |
218 | AF3 ADP 3PG | 0.421053 | 0.811765 |
219 | 3AM | 0.420561 | 0.822785 |
220 | AMP NAD | 0.42029 | 0.897436 |
221 | 0WD | 0.42029 | 0.9125 |
222 | 4TA | 0.42029 | 0.869048 |
223 | A3N | 0.418182 | 0.719512 |
224 | J7C | 0.418182 | 0.686047 |
225 | NSS | 0.418033 | 0.73913 |
226 | 6AD | 0.415254 | 0.833333 |
227 | ARU | 0.414634 | 0.770115 |
228 | NA7 | 0.41129 | 0.829268 |
229 | FAD | 0.409091 | 0.825581 |
230 | SFD | 0.409091 | 0.717172 |
231 | FAS | 0.409091 | 0.825581 |
232 | NDP | 0.408759 | 0.9125 |
233 | SMM | 0.408333 | 0.727273 |
234 | KAA | 0.408 | 0.715789 |
235 | GSU | 0.408 | 0.758242 |
236 | FDA | 0.407895 | 0.829545 |
237 | 7C5 | 0.407692 | 0.792683 |
238 | FNK | 0.407643 | 0.802198 |
239 | V3L | 0.40678 | 0.884615 |
240 | IMO | 0.405405 | 0.822785 |
241 | FAY | 0.405063 | 0.835294 |
242 | P5F | 0.404908 | 0.820225 |
243 | AAT | 0.403361 | 0.689655 |
244 | YSA | 0.403101 | 0.758242 |
245 | NJP | 0.402878 | 0.864198 |
246 | 6MZ | 0.401786 | 0.871795 |
247 | S4M | 0.401786 | 0.67033 |
248 | GJV | 0.401786 | 0.670455 |
249 | SA8 | 0.401709 | 0.729412 |
250 | NAJ PZO | 0.401408 | 0.888889 |
251 | FAJ | 0.401198 | 0.806818 |
252 | NDE | 0.4 | 0.875 |
253 | NAJ PYZ | 0.4 | 0.847059 |
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 |