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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 29 families. | |||||
1 | 3HK9 | - | REL | C6 H10 O7 | C(=O)[C@@H.... |
2 | 3HK8 | - | HDL | C5 H9 N O7 | [C@@H]([C@.... |
3 | 3HK7 | - | RAT | C5 H8 O7 | C([C@@H](C.... |
4 | 3HKA | - | FIX | C6 H8 O7 | C(=O)C(=O).... |
5 | 3HK5 | - | RAT | C5 H8 O7 | C([C@@H](C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 21 families. | |||||
1 | 3HK9 | - | REL | C6 H10 O7 | C(=O)[C@@H.... |
2 | 3HK8 | - | HDL | C5 H9 N O7 | [C@@H]([C@.... |
3 | 3HK7 | - | RAT | C5 H8 O7 | C([C@@H](C.... |
4 | 3HKA | - | FIX | C6 H8 O7 | C(=O)C(=O).... |
5 | 3HK5 | - | RAT | C5 H8 O7 | C([C@@H](C.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | CS2 | 0.9808 |
2 | MTL | 0.9572 |
3 | GCO | 0.9543 |
4 | SOR | 0.9534 |
5 | LFC | 0.9501 |
6 | XYH | 0.9490 |
7 | GLO | 0.9482 |
8 | FUD | 0.9459 |
9 | SOL | 0.9440 |
10 | KDG | 0.9360 |
11 | FRU | 0.9249 |
12 | HIS | 0.9236 |
13 | PPY | 0.9229 |
14 | 3MF | 0.9228 |
15 | GLU | 0.9226 |
16 | FOC | 0.9211 |
17 | CUW | 0.9169 |
18 | TYR | 0.9167 |
19 | PDC | 0.9164 |
20 | 3YP | 0.9152 |
21 | A3M | 0.9145 |
22 | DNF | 0.9120 |
23 | HMS | 0.9118 |
24 | DPN | 0.9117 |
25 | M5E | 0.9116 |
26 | 61M | 0.9116 |
27 | PHE | 0.9097 |
28 | HHH | 0.9084 |
29 | SMN | 0.9082 |
30 | 173 | 0.9081 |
31 | AOS | 0.9074 |
32 | HQJ | 0.9072 |
33 | HDL | 0.9072 |
34 | 2ZM | 0.9071 |
35 | NFA | 0.9069 |
36 | 3A9 | 0.9068 |
37 | E1P | 0.9067 |
38 | NVU | 0.9067 |
39 | ALE | 0.9065 |
40 | ONR | 0.9060 |
41 | 6NT | 0.9042 |
42 | DHI | 0.9040 |
43 | AKG | 0.9036 |
44 | 3BU | 0.9035 |
45 | PD2 | 0.9032 |
46 | TAG | 0.9032 |
47 | AL0 | 0.9027 |
48 | KMH | 0.9019 |
49 | SYM | 0.9017 |
50 | R20 | 0.9016 |
51 | 9FE | 0.9016 |
52 | GLN | 0.9014 |
53 | 9ON | 0.9006 |
54 | 4VY | 0.9002 |
55 | 5XB | 0.9000 |
56 | 9RW | 0.8992 |
57 | BCU | 0.8992 |
58 | HDH | 0.8989 |
59 | 0F9 | 0.8988 |
60 | 0HN | 0.8988 |
61 | 1F1 | 0.8987 |
62 | S2G | 0.8980 |
63 | 0HO | 0.8977 |
64 | SDD | 0.8974 |
65 | 3NY | 0.8969 |
66 | DAL DAL | 0.8969 |
67 | PFL | 0.8969 |
68 | XRX | 0.8968 |
69 | 2LY | 0.8965 |
70 | N2I | 0.8964 |
71 | 269 | 0.8964 |
72 | 091 | 0.8960 |
73 | 9R5 | 0.8956 |
74 | R2P | 0.8956 |
75 | 5NI | 0.8956 |
76 | OW7 | 0.8953 |
77 | 5XC | 0.8953 |
78 | C2Y | 0.8951 |
79 | RNT | 0.8946 |
80 | 7UC | 0.8940 |
81 | LLH | 0.8938 |
82 | F0J | 0.8938 |
83 | 41K | 0.8937 |
84 | NAG | 0.8937 |
85 | TSS | 0.8937 |
86 | UN1 | 0.8936 |
87 | 8SZ | 0.8935 |
88 | M74 | 0.8934 |
89 | DEW | 0.8934 |
90 | DZA | 0.8933 |
91 | TT4 | 0.8932 |
92 | PQK | 0.8931 |
93 | M4E | 0.8931 |
94 | LPK | 0.8931 |
95 | E4P | 0.8931 |
96 | 23J | 0.8930 |
97 | ABI | 0.8929 |
98 | 6NI | 0.8929 |
99 | BDP | 0.8928 |
100 | SEP | 0.8922 |
101 | 5OB | 0.8919 |
102 | OW4 | 0.8919 |
103 | 3MB | 0.8915 |
104 | 8ZE | 0.8913 |
105 | MCO | 0.8912 |
106 | PO6 | 0.8911 |
107 | 15N | 0.8907 |
108 | 92K | 0.8907 |
109 | KJU | 0.8907 |
110 | OVM | 0.8906 |
111 | EUG | 0.8905 |
112 | GLR | 0.8905 |
113 | 92P | 0.8905 |
114 | 8OZ | 0.8904 |
115 | IAC | 0.8903 |
116 | 2O6 | 0.8902 |
117 | AMH | 0.8901 |
118 | BZ3 | 0.8901 |
119 | F31 | 0.8901 |
120 | 4AV | 0.8901 |
121 | 0LH | 0.8894 |
122 | BK9 | 0.8893 |
123 | RNS | 0.8892 |
124 | 9ZE | 0.8890 |
125 | HA7 | 0.8888 |
126 | BQ2 | 0.8886 |
127 | NCD | 0.8882 |
128 | 8WQ | 0.8879 |
129 | JB8 | 0.8878 |
130 | PSJ | 0.8877 |
131 | EEL | 0.8876 |
132 | EGV | 0.8875 |
133 | HA5 | 0.8875 |
134 | CN0 | 0.8874 |
135 | APG | 0.8873 |
136 | TAR | 0.8870 |
137 | AHN | 0.8870 |
138 | VNL | 0.8864 |
139 | 2C2 | 0.8862 |
140 | RJY | 0.8862 |
141 | VXX | 0.8861 |
142 | JZA | 0.8858 |
143 | SRO | 0.8858 |
144 | ICO | 0.8858 |
145 | 3HG | 0.8857 |
146 | HCI | 0.8855 |
147 | 2FY | 0.8854 |
148 | 4TU | 0.8851 |
149 | JAW | 0.8851 |
150 | V55 | 0.8850 |
151 | 1VK | 0.8848 |
152 | DXG | 0.8848 |
153 | 8GK | 0.8847 |
154 | 94W | 0.8847 |
155 | 12T | 0.8847 |
156 | GGB | 0.8846 |
157 | JDN | 0.8841 |
158 | 1A7 | 0.8841 |
159 | FLC | 0.8840 |
160 | CFI | 0.8839 |
161 | XUL | 0.8837 |
162 | P58 | 0.8835 |
163 | CSN | 0.8835 |
164 | CIT | 0.8834 |
165 | SSC | 0.8831 |
166 | DER | 0.8831 |
167 | QBM | 0.8831 |
168 | P7Y | 0.8829 |
169 | MAH | 0.8827 |
170 | 0W1 | 0.8827 |
171 | PQ0 | 0.8827 |
172 | TPO | 0.8825 |
173 | ENV | 0.8823 |
174 | D3G | 0.8822 |
175 | CXP | 0.8819 |
176 | MEQ | 0.8818 |
177 | LYN | 0.8815 |
178 | 5RN | 0.8814 |
179 | K6H | 0.8813 |
180 | 7BC | 0.8813 |
181 | GLC | 0.8813 |
182 | FK8 | 0.8812 |
183 | 8G0 | 0.8808 |
184 | URO | 0.8808 |
185 | DA4 | 0.8807 |
186 | SLS | 0.8807 |
187 | SHA | 0.8807 |
188 | K7M | 0.8806 |
189 | SAF | 0.8804 |
190 | XLS | 0.8802 |
191 | 0JD | 0.8801 |
192 | S7A | 0.8801 |
193 | A7H | 0.8800 |
194 | LX1 | 0.8800 |
195 | CWJ | 0.8800 |
196 | Q9Z | 0.8793 |
197 | I3A | 0.8792 |
198 | 8WO | 0.8788 |
199 | 0FK | 0.8785 |
200 | NF3 | 0.8785 |
201 | CCB | 0.8785 |
202 | XX3 | 0.8784 |
203 | QBS | 0.8784 |
204 | MAJ | 0.8783 |
205 | 2UZ | 0.8781 |
206 | 5WZ | 0.8778 |
207 | 5GU | 0.8777 |
208 | 40F | 0.8776 |
209 | 268 | 0.8776 |
210 | M5H | 0.8773 |
211 | RES | 0.8773 |
212 | NGO | 0.8770 |
213 | LT2 | 0.8768 |
214 | 2BG | 0.8766 |
215 | 1X4 | 0.8766 |
216 | M6Z | 0.8765 |
217 | ASO | 0.8765 |
218 | BHO | 0.8763 |
219 | SOE | 0.8762 |
220 | NOJ | 0.8760 |
221 | DE5 | 0.8759 |
222 | URC | 0.8759 |
223 | 7VS | 0.8759 |
224 | 2CG | 0.8759 |
225 | ONH | 0.8759 |
226 | 4ME | 0.8758 |
227 | 5RO | 0.8758 |
228 | Q03 | 0.8757 |
229 | XDE | 0.8756 |
230 | GCU | 0.8755 |
231 | MS9 | 0.8750 |
232 | HJ7 | 0.8749 |
233 | Z13 | 0.8746 |
234 | 5FX | 0.8742 |
235 | MXN | 0.8741 |
236 | OVP | 0.8740 |
237 | XI7 | 0.8740 |
238 | 9UL | 0.8739 |
239 | NIZ | 0.8739 |
240 | HGA | 0.8738 |
241 | F12 | 0.8738 |
242 | 0W8 | 0.8738 |
243 | 7ME | 0.8737 |
244 | 2CZ | 0.8736 |
245 | 36M | 0.8735 |
246 | RMN | 0.8735 |
247 | EQW | 0.8734 |
248 | OIA | 0.8734 |
249 | CFA | 0.8734 |
250 | 9YT | 0.8733 |
251 | KW8 | 0.8733 |
252 | 0A9 | 0.8732 |
253 | NGW | 0.8732 |
254 | NGT | 0.8732 |
255 | PRO GLY | 0.8731 |
256 | ONL | 0.8731 |
257 | 4A5 | 0.8728 |
258 | 3QM | 0.8728 |
259 | 1H1 | 0.8727 |
260 | PCS | 0.8727 |
261 | XEN | 0.8726 |
262 | RD4 | 0.8724 |
263 | OA3 | 0.8723 |
264 | GTQ | 0.8720 |
265 | 8NX | 0.8720 |
266 | DEZ | 0.8719 |
267 | PBN | 0.8719 |
268 | BNF | 0.8719 |
269 | 4HM | 0.8718 |
270 | MWP | 0.8717 |
271 | AEF | 0.8717 |
272 | HYA | 0.8717 |
273 | ODO | 0.8716 |
274 | 7OD | 0.8716 |
275 | ITW | 0.8715 |
276 | R9Y | 0.8714 |
277 | EYK | 0.8714 |
278 | 5FN | 0.8713 |
279 | E79 | 0.8711 |
280 | NFM | 0.8710 |
281 | Q02 | 0.8709 |
282 | JXW | 0.8708 |
283 | 6R8 | 0.8708 |
284 | IFL | 0.8707 |
285 | DIE | 0.8706 |
286 | BZQ | 0.8703 |
287 | LY0 | 0.8702 |
288 | TSR | 0.8701 |
289 | 1U6 | 0.8700 |
290 | 54G | 0.8699 |
291 | W81 | 0.8699 |
292 | DA3 | 0.8696 |
293 | MNP | 0.8696 |
294 | 3DM | 0.8695 |
295 | 7MW | 0.8695 |
296 | EHM | 0.8695 |
297 | 3R6 | 0.8694 |
298 | INE | 0.8692 |
299 | 7MX | 0.8689 |
300 | 9GB | 0.8687 |
301 | 86L | 0.8687 |
302 | TX4 | 0.8685 |
303 | FOM | 0.8684 |
304 | 5DL | 0.8683 |
305 | QDK | 0.8682 |
306 | TOH | 0.8679 |
307 | PRF | 0.8675 |
308 | PH2 | 0.8674 |
309 | RVE | 0.8672 |
310 | M0W | 0.8672 |
311 | MQB | 0.8672 |
312 | LNO | 0.8672 |
313 | GVM | 0.8670 |
314 | GOJ | 0.8670 |
315 | NDG | 0.8668 |
316 | 2ZQ | 0.8668 |
317 | 463 | 0.8667 |
318 | 5LD | 0.8667 |
319 | H4E | 0.8666 |
320 | RBL | 0.8665 |
321 | FF3 | 0.8665 |
322 | HWD | 0.8665 |
323 | HL5 | 0.8662 |
324 | 2A9 | 0.8661 |
325 | G2F | 0.8660 |
326 | YTX | 0.8660 |
327 | ARP | 0.8659 |
328 | GCB | 0.8657 |
329 | PBA | 0.8656 |
330 | TXW | 0.8656 |
331 | APS | 0.8653 |
332 | 9J3 | 0.8653 |
333 | H7Y | 0.8652 |
334 | 0OL | 0.8652 |
335 | DIU | 0.8650 |
336 | AT3 | 0.8650 |
337 | EF9 | 0.8650 |
338 | M45 | 0.8649 |
339 | ALA ALA | 0.8649 |
340 | GNL | 0.8648 |
341 | NSG | 0.8648 |
342 | ES2 | 0.8648 |
343 | O45 | 0.8647 |
344 | B62 | 0.8647 |
345 | 2HU | 0.8647 |
346 | DOB | 0.8646 |
347 | 650 | 0.8644 |
348 | 6VD | 0.8643 |
349 | 1QP | 0.8642 |
350 | EPR | 0.8642 |
351 | ICT | 0.8638 |
352 | MR1 | 0.8637 |
353 | 5NE | 0.8637 |
354 | 3GZ | 0.8636 |
355 | OOG | 0.8633 |
356 | MES | 0.8630 |
357 | BHU | 0.8625 |
358 | 67X | 0.8615 |
359 | MZM | 0.8614 |
360 | MEV | 0.8613 |
361 | EVA | 0.8613 |
362 | DEE | 0.8613 |
363 | RQD | 0.8609 |
364 | 3TC | 0.8609 |
365 | NOY | 0.8609 |
366 | PJL | 0.8608 |
367 | IPB | 0.8607 |
368 | LTT | 0.8607 |
369 | IOS | 0.8606 |
370 | RM1 | 0.8603 |
371 | OTD | 0.8601 |
372 | M1H | 0.8601 |
373 | 1P8 | 0.8601 |
374 | LZ2 | 0.8600 |
375 | XXG | 0.8598 |
376 | 6M4 | 0.8597 |
377 | D8Q | 0.8596 |
378 | MB1 | 0.8596 |
379 | ZON | 0.8595 |
380 | NPA | 0.8593 |
381 | AH8 | 0.8588 |
382 | EDR | 0.8587 |
383 | E1T | 0.8586 |
384 | AFS | 0.8585 |
385 | 5SP | 0.8582 |
386 | GC2 | 0.8581 |
387 | JYT | 0.8581 |
388 | GV9 | 0.8578 |
389 | DIR | 0.8577 |
390 | MO8 | 0.8576 |
391 | GLY LEU | 0.8572 |
392 | TWO | 0.8571 |
393 | LUQ | 0.8570 |
394 | 2HC | 0.8569 |
395 | CTL | 0.8567 |
396 | LGC | 0.8561 |
397 | 0GZ | 0.8559 |
398 | ATX | 0.8552 |
399 | LKA | 0.8549 |
400 | 44V | 0.8548 |
401 | 4Z4 | 0.8547 |
402 | NGA | 0.8545 |
403 | HLZ | 0.8544 |
404 | 30G | 0.8539 |
405 | C9E | 0.8539 |
406 | DJN | 0.8534 |
407 | A5P | 0.8532 |
408 | SX1 | 0.8529 |
409 | 3LR | 0.8529 |
410 | M3Q | 0.8527 |
411 | 2F6 | 0.8523 |
412 | G5V | 0.8521 |
413 | D5X | 0.8518 |
This union binding pocket(no: 1) in the query (biounit: 3hka.bio1) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 3hka.bio1) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 3hka.bio1) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |