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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 | 1I6K | - | TYM | C21 H24 N7 O8 P | c1ccc2c(c1.... |
2 | 1MAU | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
3 | 1M83 | Kd = 0.4 mM | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
4 | 1I6M | - | TYM | C21 H24 N7 O8 P | c1ccc2c(c1.... |
5 | 5DK4 | Ki = 2 nM | 5BX | C14 H15 N3 O2 | C[C@H](c1c.... |
6 | 1I6L | - | TYM | C21 H24 N7 O8 P | c1ccc2c(c1.... |
7 | 2OV4 | Kd = 18 uM | AQP | C10 H17 N5 O16 P4 | c1nc(c2c(n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 1I6K | - | TYM | C21 H24 N7 O8 P | c1ccc2c(c1.... |
2 | 1MAU | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
3 | 1M83 | Kd = 0.4 mM | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
4 | 1I6M | - | TYM | C21 H24 N7 O8 P | c1ccc2c(c1.... |
5 | 5DK4 | Ki = 2 nM | 5BX | C14 H15 N3 O2 | C[C@H](c1c.... |
6 | 1I6L | - | TYM | C21 H24 N7 O8 P | c1ccc2c(c1.... |
7 | 2OV4 | Kd = 18 uM | AQP | C10 H17 N5 O16 P4 | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | TYM | 1 | 1 |
2 | FA5 | 0.72381 | 1 |
3 | SRP | 0.7 | 0.972973 |
4 | AMO | 0.673077 | 0.972973 |
5 | LAD | 0.669811 | 0.923077 |
6 | WSA | 0.666667 | 0.845238 |
7 | 5AL | 0.663366 | 0.945946 |
8 | ME8 | 0.648148 | 0.9 |
9 | NB8 | 0.648148 | 0.935065 |
10 | 8LH | 0.634615 | 0.921053 |
11 | 8QN | 0.632075 | 0.945946 |
12 | PAJ | 0.626168 | 0.875 |
13 | CA0 | 0.62 | 0.933333 |
14 | KG4 | 0.613861 | 0.933333 |
15 | 4AD | 0.611111 | 0.96 |
16 | 8LQ | 0.607477 | 0.946667 |
17 | DLL | 0.605505 | 0.972603 |
18 | PTJ | 0.603604 | 0.886076 |
19 | OOB | 0.601852 | 0.972603 |
20 | 8LE | 0.6 | 0.909091 |
21 | YLP | 0.59322 | 0.878049 |
22 | QA7 | 0.592593 | 0.909091 |
23 | A2D | 0.585859 | 0.932432 |
24 | 3UK | 0.585586 | 0.959459 |
25 | B5V | 0.580357 | 0.946667 |
26 | WAQ | 0.580357 | 0.922078 |
27 | YLC | 0.578512 | 0.9 |
28 | YLB | 0.578512 | 0.878049 |
29 | AN2 | 0.578431 | 0.894737 |
30 | AHX | 0.576577 | 0.910256 |
31 | BA3 | 0.574257 | 0.932432 |
32 | AYB | 0.572581 | 0.86747 |
33 | AP5 | 0.568627 | 0.932432 |
34 | B4P | 0.568627 | 0.932432 |
35 | ADP | 0.568627 | 0.906667 |
36 | YLA | 0.564516 | 0.878049 |
37 | AT4 | 0.563107 | 0.871795 |
38 | 00A | 0.5625 | 0.922078 |
39 | APR | 0.561905 | 0.932432 |
40 | PRX | 0.561905 | 0.858974 |
41 | AR6 | 0.561905 | 0.932432 |
42 | 1ZZ | 0.561404 | 0.853659 |
43 | FYA | 0.561404 | 0.945946 |
44 | ANP | 0.560748 | 0.883117 |
45 | B5M | 0.560345 | 0.934211 |
46 | M33 | 0.557692 | 0.894737 |
47 | ADX | 0.557692 | 0.819277 |
48 | AD9 | 0.556604 | 0.883117 |
49 | A | 0.555556 | 0.905405 |
50 | XAH | 0.555556 | 0.876543 |
51 | AMP | 0.555556 | 0.905405 |
52 | PR8 | 0.552632 | 0.911392 |
53 | 50T | 0.552381 | 0.87013 |
54 | ATP | 0.552381 | 0.906667 |
55 | ACP | 0.552381 | 0.907895 |
56 | HEJ | 0.552381 | 0.906667 |
57 | 9SN | 0.551724 | 0.910256 |
58 | TXA | 0.547826 | 0.921053 |
59 | AQP | 0.54717 | 0.906667 |
60 | 5FA | 0.54717 | 0.906667 |
61 | B5Y | 0.547009 | 0.934211 |
62 | AGS | 0.542056 | 0.860759 |
63 | YLY | 0.541985 | 0.86747 |
64 | A1R | 0.539823 | 0.897436 |
65 | ABM | 0.539216 | 0.881579 |
66 | 45A | 0.539216 | 0.881579 |
67 | AMP MG | 0.534653 | 0.891892 |
68 | 3OD | 0.534483 | 0.933333 |
69 | ACQ | 0.53211 | 0.907895 |
70 | 9ZA | 0.530973 | 0.897436 |
71 | 25A | 0.530973 | 0.932432 |
72 | 9ZD | 0.530973 | 0.897436 |
73 | N0B | 0.529851 | 0.901235 |
74 | AP2 | 0.528846 | 0.896104 |
75 | A12 | 0.528846 | 0.896104 |
76 | AU1 | 0.528302 | 0.883117 |
77 | 4UV | 0.525 | 0.934211 |
78 | V1N | 0.525 | 0.932432 |
79 | DQV | 0.52459 | 0.945946 |
80 | ATF | 0.522523 | 0.871795 |
81 | A22 | 0.522124 | 0.92 |
82 | DAL AMP | 0.522124 | 0.92 |
83 | LAQ | 0.520325 | 0.853659 |
84 | SRA | 0.519608 | 0.858974 |
85 | GAP | 0.518182 | 0.907895 |
86 | 6YZ | 0.517857 | 0.907895 |
87 | OZV | 0.517544 | 0.906667 |
88 | OAD | 0.517241 | 0.933333 |
89 | RBY | 0.513761 | 0.921053 |
90 | ADV | 0.513761 | 0.921053 |
91 | V2G | 0.513514 | 0.910256 |
92 | HQG | 0.513274 | 0.92 |
93 | A3R | 0.513043 | 0.897436 |
94 | JNT | 0.508621 | 0.907895 |
95 | TXE | 0.507937 | 0.897436 |
96 | M24 | 0.507463 | 0.8875 |
97 | ADP BEF | 0.504673 | 0.905405 |
98 | ADP MG | 0.504673 | 0.905405 |
99 | SON | 0.504673 | 0.946667 |
100 | APC | 0.504587 | 0.896104 |
101 | T99 | 0.504505 | 0.871795 |
102 | TAT | 0.504505 | 0.871795 |
103 | 5SV | 0.504348 | 0.817073 |
104 | 9X8 | 0.504274 | 0.884615 |
105 | 25L | 0.504202 | 0.92 |
106 | 4UU | 0.504065 | 0.934211 |
107 | BT5 | 0.5 | 0.86747 |
108 | ADQ | 0.5 | 0.933333 |
109 | NAI | 0.5 | 0.897436 |
110 | DND | 0.5 | 0.946667 |
111 | 4UW | 0.5 | 0.898734 |
112 | 80F | 0.496241 | 0.901235 |
113 | IOT | 0.496124 | 0.86747 |
114 | BEF ADP | 0.495495 | 0.881579 |
115 | 7MD | 0.491935 | 0.9 |
116 | TXD | 0.488189 | 0.897436 |
117 | NAX | 0.488189 | 0.911392 |
118 | AMP DBH | 0.487805 | 0.883117 |
119 | APC MG | 0.486486 | 0.881579 |
120 | ATP MG | 0.486486 | 0.905405 |
121 | ADP PO3 | 0.486486 | 0.905405 |
122 | G3A | 0.483871 | 0.886076 |
123 | BIS | 0.483333 | 0.85 |
124 | MAP | 0.482759 | 0.860759 |
125 | ANP MG | 0.482456 | 0.894737 |
126 | ALF ADP | 0.482456 | 0.8375 |
127 | D4F | 0.481752 | 0.9 |
128 | T5A | 0.480916 | 0.878049 |
129 | L3W | 0.48062 | 0.896104 |
130 | 48N | 0.480315 | 0.910256 |
131 | G5P | 0.48 | 0.886076 |
132 | SSA | 0.478261 | 0.813953 |
133 | 6V0 | 0.476562 | 0.886076 |
134 | LSS | 0.474576 | 0.795455 |
135 | F2R | 0.473684 | 0.878049 |
136 | KMQ | 0.471545 | 0.896104 |
137 | NAE | 0.471014 | 0.909091 |
138 | NAD | 0.470149 | 0.945946 |
139 | 5CA | 0.470085 | 0.813953 |
140 | TSB | 0.470085 | 0.790698 |
141 | A5A | 0.469565 | 0.8 |
142 | VO4 ADP | 0.469565 | 0.883117 |
143 | AP0 | 0.469231 | 0.8625 |
144 | ARG AMP | 0.468254 | 0.865854 |
145 | AFH | 0.468254 | 0.898734 |
146 | GA7 | 0.468254 | 0.896104 |
147 | YSA | 0.467742 | 0.835294 |
148 | NAQ | 0.467626 | 0.886076 |
149 | MYR AMP | 0.467213 | 0.831325 |
150 | LMS | 0.466667 | 0.797619 |
151 | CNA | 0.466165 | 0.946667 |
152 | BV8 | 0.465517 | 0.811111 |
153 | GTA | 0.464567 | 0.853659 |
154 | A3D | 0.463235 | 0.933333 |
155 | KAA | 0.46281 | 0.786517 |
156 | DSZ | 0.462185 | 0.835294 |
157 | 54H | 0.461538 | 0.781609 |
158 | AF3 ADP 3PG | 0.461538 | 0.875 |
159 | OMR | 0.461538 | 0.843373 |
160 | VMS | 0.461538 | 0.781609 |
161 | BVT | 0.460227 | 0.802198 |
162 | PAP | 0.460177 | 0.893333 |
163 | COD | 0.459259 | 0.825581 |
164 | ADJ | 0.458647 | 0.865854 |
165 | 139 | 0.458647 | 0.8875 |
166 | UPA | 0.458015 | 0.897436 |
167 | AOC | 0.457944 | 0.789474 |
168 | 53H | 0.457627 | 0.772727 |
169 | ADP BMA | 0.454545 | 0.907895 |
170 | UP5 | 0.453846 | 0.909091 |
171 | 2A5 | 0.451327 | 0.858974 |
172 | GSU | 0.45082 | 0.835294 |
173 | ALF ADP 3PG | 0.450382 | 0.875 |
174 | BJW | 0.45 | 0.820225 |
175 | 52H | 0.449153 | 0.772727 |
176 | XYA | 0.44898 | 0.786667 |
177 | ADN | 0.44898 | 0.786667 |
178 | RAB | 0.44898 | 0.786667 |
179 | AMP NAD | 0.448529 | 0.945946 |
180 | BTX | 0.448529 | 0.855422 |
181 | PPS | 0.448276 | 0.797619 |
182 | ATP A A A | 0.448 | 0.918919 |
183 | 8PZ | 0.448 | 0.835294 |
184 | ATP A | 0.448 | 0.918919 |
185 | EAD | 0.447552 | 0.8875 |
186 | 9K8 | 0.447154 | 0.747253 |
187 | JB6 | 0.447154 | 0.897436 |
188 | NAD TDB | 0.44697 | 0.932432 |
189 | NAD IBO | 0.44697 | 0.932432 |
190 | 7MC | 0.44697 | 0.878049 |
191 | 4TC | 0.44697 | 0.910256 |
192 | A3P | 0.445455 | 0.905405 |
193 | DZD | 0.445255 | 0.898734 |
194 | A4P | 0.443609 | 0.835294 |
195 | G5A | 0.443478 | 0.813953 |
196 | LEU LMS | 0.442623 | 0.784091 |
197 | 5X8 | 0.442478 | 0.826667 |
198 | TAD | 0.44186 | 0.875 |
199 | 5AS | 0.441441 | 0.752809 |
200 | NSS | 0.438017 | 0.813953 |
201 | 0WD | 0.437956 | 0.886076 |
202 | A2R | 0.436975 | 0.92 |
203 | 5CD | 0.435644 | 0.773333 |
204 | COT | 0.435583 | 0.818182 |
205 | P1H | 0.435374 | 0.865854 |
206 | NDE | 0.435374 | 0.921053 |
207 | LPA AMP | 0.435115 | 0.831325 |
208 | SA8 | 0.434783 | 0.765432 |
209 | ATR | 0.434783 | 0.88 |
210 | NVA LMS | 0.434426 | 0.786517 |
211 | AR6 AR6 | 0.434109 | 0.932432 |
212 | ZID | 0.433566 | 0.933333 |
213 | 8X1 | 0.433333 | 0.786517 |
214 | SAH | 0.431034 | 0.805195 |
215 | SAI | 0.431034 | 0.794872 |
216 | CA3 | 0.430303 | 0.818182 |
217 | SFG | 0.429825 | 0.813333 |
218 | SMM | 0.428571 | 0.741176 |
219 | NAJ PZO | 0.428571 | 0.8625 |
220 | AHZ | 0.427481 | 0.831325 |
221 | P5A | 0.427419 | 0.777778 |
222 | SAM | 0.42735 | 0.746988 |
223 | 5N5 | 0.425743 | 0.763158 |
224 | 7D5 | 0.424528 | 0.820513 |
225 | KOY | 0.424242 | 0.842105 |
226 | EEM | 0.423729 | 0.746988 |
227 | 7D3 | 0.423423 | 0.822785 |
228 | B1U | 0.421875 | 0.75 |
229 | A4D | 0.421569 | 0.763158 |
230 | 7D4 | 0.421053 | 0.822785 |
231 | A2P | 0.419643 | 0.891892 |
232 | DTA | 0.419048 | 0.779221 |
233 | H1Q | 0.417391 | 0.868421 |
234 | 4TA | 0.417266 | 0.865854 |
235 | V47 | 0.416667 | 0.824324 |
236 | 3AM | 0.416667 | 0.866667 |
237 | J4G | 0.416 | 0.96 |
238 | V3L | 0.415254 | 0.932432 |
239 | 38V | 0.413793 | 0.876543 |
240 | 6AD | 0.411765 | 0.829268 |
241 | ARU | 0.41129 | 0.785714 |
242 | NDC | 0.410596 | 0.886076 |
243 | FB0 | 0.410596 | 0.797753 |
244 | A5D | 0.410256 | 0.779221 |
245 | NJP | 0.410072 | 0.909091 |
246 | EP4 | 0.409524 | 0.725 |
247 | 6RE | 0.409091 | 0.753086 |
248 | 4YB | 0.409091 | 0.837209 |
249 | ITT | 0.408696 | 0.855263 |
250 | 3DH | 0.407407 | 0.74359 |
251 | NAJ PYZ | 0.406897 | 0.821429 |
252 | QXP | 0.406504 | 0.758621 |
253 | NDP | 0.405797 | 0.886076 |
254 | M2T | 0.40566 | 0.707317 |
255 | DCA | 0.405594 | 0.816092 |
256 | FDA | 0.405229 | 0.825581 |
257 | FNK | 0.405063 | 0.818182 |
258 | S7M | 0.404959 | 0.746988 |
259 | 7C5 | 0.40458 | 0.833333 |
260 | OZP | 0.402985 | 0.810127 |
261 | 67D | 0.402878 | 0.795455 |
262 | MTA | 0.401869 | 0.74359 |
263 | J7C | 0.401786 | 0.7625 |
264 | IMO | 0.401786 | 0.866667 |
265 | A3S | 0.4 | 0.826667 |
266 | LQJ | 0.4 | 0.906667 |
267 | 62X | 0.4 | 0.72093 |
This union binding pocket(no: 1) in the query (biounit: 5dk4.bio1) has 43 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 5dk4.bio1) has 43 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 5dk4.bio1) has 42 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 5dk4.bio1) has 42 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |