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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
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- 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 | 4G37 | - | SLU | C21 H18 N8 O8 S3 | c1cc2c(cc1.... |
2 | 3RIX | - | 923 | C27 H28 O7 | CC(C)([C@H.... |
3 | 5KYT | - | SLU | C21 H18 N8 O8 S3 | c1cc2c(cc1.... |
4 | 4E5D | - | 0NJ | C14 H10 F N O S | COc1ccc2c(.... |
5 | 3IES | Kd ~ 120 pM | M24 | C25 H21 F N7 O9 P | c1ccc(c(c1.... |
6 | 6K4C | - | SLU | C21 H18 N8 O8 S3 | c1cc2c(cc1.... |
7 | 6K4D | - | ESJ | C11 H8 N2 O3 S2 | c1cc2c(cc1.... |
8 | 2D1R | - | OLU | C10 H6 N2 O2 S2 | c1cc2c(cc1.... |
9 | 2D1Q | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
10 | 2D1T | - | SLU | C21 H18 N8 O8 S3 | c1cc2c(cc1.... |
11 | 2D1S | - | SLU | C21 H18 N8 O8 S3 | c1cc2c(cc1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 4G37 | - | SLU | C21 H18 N8 O8 S3 | c1cc2c(cc1.... |
2 | 3RIX | - | 923 | C27 H28 O7 | CC(C)([C@H.... |
3 | 5KYT | - | SLU | C21 H18 N8 O8 S3 | c1cc2c(cc1.... |
4 | 4E5D | - | 0NJ | C14 H10 F N O S | COc1ccc2c(.... |
5 | 2D1R | - | OLU | C10 H6 N2 O2 S2 | c1cc2c(cc1.... |
6 | 2D1Q | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | CR4 | 0.9711 |
2 | BMZ | 0.9711 |
3 | ZTW | 0.9640 |
4 | 120 | 0.9603 |
5 | 124 | 0.9599 |
6 | 122 | 0.9598 |
7 | OLU | 0.9588 |
8 | 801 | 0.9586 |
9 | 205 | 0.9578 |
10 | 22M | 0.9574 |
11 | WG8 | 0.9537 |
12 | MI2 | 0.9532 |
13 | 397 | 0.9496 |
14 | 121 | 0.9479 |
15 | 27F | 0.9460 |
16 | 802 | 0.9456 |
17 | 08C | 0.9448 |
18 | 5OR | 0.9431 |
19 | 7EH | 0.9419 |
20 | 135 | 0.9410 |
21 | WA1 | 0.9403 |
22 | 97K | 0.9400 |
23 | 7G2 | 0.9396 |
24 | 5TT | 0.9392 |
25 | MBT | 0.9389 |
26 | 1DR | 0.9387 |
27 | A63 | 0.9383 |
28 | U13 | 0.9379 |
29 | 1UZ | 0.9379 |
30 | F36 | 0.9367 |
31 | 907 | 0.9364 |
32 | EES | 0.9353 |
33 | 1V8 | 0.9350 |
34 | 68C | 0.9345 |
35 | 1V0 | 0.9343 |
36 | 1UT | 0.9340 |
37 | MR4 | 0.9338 |
38 | GEN | 0.9322 |
39 | J2N | 0.9321 |
40 | 1UR | 0.9314 |
41 | 0UL | 0.9314 |
42 | 5VU | 0.9313 |
43 | 20D | 0.9309 |
44 | S0D | 0.9308 |
45 | LUM | 0.9304 |
46 | DFL | 0.9300 |
47 | BSU | 0.9299 |
48 | 5ER | 0.9296 |
49 | 4CN | 0.9289 |
50 | F18 | 0.9287 |
51 | 4FC | 0.9282 |
52 | 334 | 0.9281 |
53 | G2V | 0.9278 |
54 | A73 | 0.9271 |
55 | 7EL | 0.9270 |
56 | 7KE | 0.9266 |
57 | 1V1 | 0.9265 |
58 | EQU | 0.9258 |
59 | NKI | 0.9244 |
60 | AP6 | 0.9240 |
61 | ESJ | 0.9232 |
62 | PRL | 0.9230 |
63 | 6P3 | 0.9228 |
64 | SJR | 0.9227 |
65 | RSV | 0.9219 |
66 | 23M | 0.9217 |
67 | A8D | 0.9214 |
68 | RGK | 0.9214 |
69 | A64 | 0.9213 |
70 | AO | 0.9207 |
71 | 25F | 0.9206 |
72 | TPM | 0.9197 |
73 | 91F | 0.9196 |
74 | 6H2 | 0.9196 |
75 | SZ5 | 0.9195 |
76 | JCZ | 0.9190 |
77 | 2P3 | 0.9188 |
78 | P4T | 0.9184 |
79 | XAV | 0.9182 |
80 | 83D | 0.9179 |
81 | 3F4 | 0.9179 |
82 | 5S9 | 0.9177 |
83 | HMO | 0.9173 |
84 | LR8 | 0.9173 |
85 | AZB | 0.9170 |
86 | 245 | 0.9166 |
87 | F08 | 0.9165 |
88 | 789 | 0.9165 |
89 | 29F | 0.9163 |
90 | NPS | 0.9163 |
91 | L2K | 0.9157 |
92 | H4B | 0.9154 |
93 | TFX | 0.9153 |
94 | 3MI | 0.9151 |
95 | ZSP | 0.9151 |
96 | C0V | 0.9148 |
97 | AJG | 0.9147 |
98 | LU2 | 0.9147 |
99 | OA4 | 0.9147 |
100 | IDZ | 0.9144 |
101 | KLS | 0.9144 |
102 | 4UM | 0.9142 |
103 | K7H | 0.9141 |
104 | MRE | 0.9140 |
105 | MR5 | 0.9138 |
106 | 7FZ | 0.9136 |
107 | FHV | 0.9132 |
108 | Z3R | 0.9129 |
109 | LI7 | 0.9126 |
110 | 6BK | 0.9122 |
111 | O53 | 0.9120 |
112 | QME | 0.9119 |
113 | 5WW | 0.9119 |
114 | U14 | 0.9118 |
115 | A9B | 0.9117 |
116 | EI1 | 0.9117 |
117 | 0X2 | 0.9116 |
118 | XYP XYP | 0.9111 |
119 | AV7 | 0.9109 |
120 | 4ZF | 0.9107 |
121 | J3B | 0.9106 |
122 | JCQ | 0.9104 |
123 | 338 | 0.9104 |
124 | FCW | 0.9099 |
125 | J3Z | 0.9098 |
126 | II4 | 0.9098 |
127 | ZRK | 0.9097 |
128 | 2PV | 0.9097 |
129 | PQS | 0.9096 |
130 | WCU | 0.9095 |
131 | 272 | 0.9094 |
132 | D26 | 0.9092 |
133 | EST | 0.9092 |
134 | VGV | 0.9091 |
135 | HRD | 0.9090 |
136 | M3W | 0.9082 |
137 | WLH | 0.9081 |
138 | SDN | 0.9080 |
139 | N5B | 0.9079 |
140 | LC1 | 0.9077 |
141 | X2M | 0.9077 |
142 | GN5 | 0.9076 |
143 | CBE | 0.9076 |
144 | 06R | 0.9075 |
145 | 90M | 0.9074 |
146 | FYR | 0.9072 |
147 | 2ZI | 0.9072 |
148 | PQM | 0.9071 |
149 | 9JT | 0.9071 |
150 | BX4 | 0.9070 |
151 | M4N | 0.9070 |
152 | STL | 0.9065 |
153 | 2PK | 0.9064 |
154 | 0SY | 0.9060 |
155 | NAR | 0.9054 |
156 | 2QU | 0.9052 |
157 | 2WU | 0.9051 |
158 | ZAR | 0.9051 |
159 | PIQ | 0.9050 |
160 | 18E | 0.9048 |
161 | 0OK | 0.9047 |
162 | 123 | 0.9043 |
163 | 1R5 | 0.9043 |
164 | UAY | 0.9041 |
165 | 39R | 0.9039 |
166 | DX2 | 0.9034 |
167 | KWV | 0.9032 |
168 | 1HP | 0.9029 |
169 | 7G0 | 0.9028 |
170 | 5WK | 0.9024 |
171 | YE6 | 0.9024 |
172 | A6W | 0.9024 |
173 | JMM | 0.9023 |
174 | 3K1 | 0.9023 |
175 | 4YE | 0.9021 |
176 | 0DF | 0.9020 |
177 | 8M5 | 0.9020 |
178 | NDD | 0.9019 |
179 | 5TU | 0.9018 |
180 | IEE | 0.9018 |
181 | 6T5 | 0.9018 |
182 | 9CE | 0.9016 |
183 | NIF | 0.9013 |
184 | 5BX | 0.9012 |
185 | K97 | 0.9004 |
186 | GJG | 0.9002 |
187 | 2OX | 0.9002 |
188 | SNV | 0.9000 |
189 | MR6 | 0.8998 |
190 | 1Q2 | 0.8998 |
191 | 2J1 | 0.8995 |
192 | W2E | 0.8994 |
193 | 1Q1 | 0.8994 |
194 | 51Y | 0.8993 |
195 | D25 | 0.8989 |
196 | TID | 0.8984 |
197 | 041 | 0.8981 |
198 | 1XS | 0.8980 |
199 | CUE | 0.8979 |
200 | ESR | 0.8978 |
201 | 47V | 0.8978 |
202 | D64 | 0.8976 |
203 | T21 | 0.8976 |
204 | 31F | 0.8975 |
205 | 1V3 | 0.8973 |
206 | HBI | 0.8969 |
207 | H2B | 0.8969 |
208 | XDL XYP | 0.8966 |
209 | K0G | 0.8966 |
210 | NRA | 0.8963 |
211 | LWA | 0.8958 |
212 | A45 | 0.8958 |
213 | AGI | 0.8958 |
214 | X2L | 0.8957 |
215 | 38E | 0.8957 |
216 | 7ZO | 0.8952 |
217 | AOY | 0.8950 |
218 | HRM | 0.8949 |
219 | 4AU | 0.8948 |
220 | 6VW | 0.8946 |
221 | CIU | 0.8946 |
222 | BXS | 0.8945 |
223 | A5Q | 0.8945 |
224 | S98 | 0.8944 |
225 | 833 | 0.8944 |
226 | M83 | 0.8943 |
227 | IIH | 0.8943 |
228 | LFN | 0.8939 |
229 | ITE | 0.8938 |
230 | QIV | 0.8938 |
231 | 72D | 0.8937 |
232 | J2W | 0.8935 |
233 | ZRL | 0.8935 |
234 | 8CC | 0.8933 |
235 | VT3 | 0.8933 |
236 | 28A | 0.8931 |
237 | 68B | 0.8931 |
238 | 4AB | 0.8929 |
239 | CDJ | 0.8929 |
240 | H2W | 0.8929 |
241 | LIG | 0.8928 |
242 | WDW | 0.8927 |
243 | A26 | 0.8925 |
244 | XYS XYS | 0.8924 |
245 | LR2 | 0.8922 |
246 | 0XR | 0.8920 |
247 | AVX | 0.8917 |
248 | 6FB | 0.8916 |
249 | EAT | 0.8916 |
250 | E9L | 0.8915 |
251 | 94X | 0.8910 |
252 | LVY | 0.8908 |
253 | 581 | 0.8906 |
254 | AD6 | 0.8905 |
255 | DX8 | 0.8904 |
256 | Y3L | 0.8904 |
257 | DHT | 0.8903 |
258 | RF2 | 0.8899 |
259 | 6DQ | 0.8897 |
260 | S0A | 0.8896 |
261 | W8L | 0.8896 |
262 | MHB | 0.8894 |
263 | CX6 | 0.8894 |
264 | H75 | 0.8893 |
265 | Y27 | 0.8892 |
266 | C4E | 0.8892 |
267 | A9E | 0.8891 |
268 | YE7 | 0.8890 |
269 | VC3 | 0.8889 |
270 | YZ9 | 0.8886 |
271 | IY5 | 0.8884 |
272 | 5SJ | 0.8884 |
273 | VUP | 0.8884 |
274 | PIC | 0.8884 |
275 | AJ1 | 0.8884 |
276 | NEU | 0.8883 |
277 | 1V4 | 0.8883 |
278 | 9EG | 0.8882 |
279 | HDI | 0.8881 |
280 | 4HG | 0.8880 |
281 | XCG | 0.8880 |
282 | 1ZC | 0.8877 |
283 | NEO | 0.8875 |
284 | 8V8 | 0.8875 |
285 | BBP | 0.8870 |
286 | F02 | 0.8870 |
287 | 697 | 0.8870 |
288 | 2JX | 0.8870 |
289 | 5SD | 0.8867 |
290 | Q11 | 0.8867 |
291 | 40N | 0.8866 |
292 | FY8 | 0.8864 |
293 | 3WK | 0.8864 |
294 | QC1 | 0.8862 |
295 | JF8 | 0.8861 |
296 | 3Q0 | 0.8858 |
297 | ZHA | 0.8857 |
298 | MT6 | 0.8856 |
299 | 7FU | 0.8856 |
300 | LJ1 | 0.8855 |
301 | Q92 | 0.8855 |
302 | 79X | 0.8855 |
303 | XYS XYP | 0.8853 |
304 | 3VQ | 0.8852 |
305 | U12 | 0.8851 |
306 | E3X | 0.8851 |
307 | 6JP | 0.8850 |
308 | F40 | 0.8850 |
309 | LJ2 | 0.8848 |
310 | 7L4 | 0.8846 |
311 | 5XM | 0.8845 |
312 | 0LA | 0.8844 |
313 | M16 | 0.8844 |
314 | Z21 | 0.8843 |
315 | KHP | 0.8841 |
316 | LOT | 0.8841 |
317 | 109 | 0.8839 |
318 | ERZ | 0.8838 |
319 | FQX | 0.8836 |
320 | 4ZW | 0.8831 |
321 | 1EL | 0.8831 |
322 | AON | 0.8830 |
323 | 0K7 | 0.8824 |
324 | J45 | 0.8821 |
325 | BVB | 0.8821 |
326 | LZ7 | 0.8815 |
327 | 17M | 0.8814 |
328 | A05 | 0.8814 |
329 | 6FX | 0.8814 |
330 | 6ZE | 0.8813 |
331 | FSE | 0.8813 |
332 | WF4 | 0.8812 |
333 | TMG | 0.8808 |
334 | E6Q | 0.8808 |
335 | 1A5 | 0.8808 |
336 | TVC | 0.8807 |
337 | 90G | 0.8807 |
338 | DZ1 | 0.8807 |
339 | NQ8 | 0.8807 |
340 | PIT | 0.8806 |
341 | P7V | 0.8805 |
342 | 613 | 0.8805 |
343 | 4DE | 0.8804 |
344 | BER | 0.8803 |
345 | AOM | 0.8802 |
346 | BC5 | 0.8800 |
347 | BRY | 0.8800 |
348 | 6X1 | 0.8798 |
349 | N9M | 0.8798 |
350 | U55 | 0.8797 |
351 | IW5 | 0.8796 |
352 | 4P9 | 0.8795 |
353 | S60 | 0.8790 |
354 | NVS | 0.8790 |
355 | 6QT | 0.8788 |
356 | HNT | 0.8788 |
357 | NY4 | 0.8787 |
358 | OSP | 0.8784 |
359 | D59 | 0.8784 |
360 | 20N | 0.8784 |
361 | 0DJ | 0.8783 |
362 | 244 | 0.8783 |
363 | K3T | 0.8781 |
364 | 0ON | 0.8780 |
365 | E92 | 0.8778 |
366 | 6SD | 0.8778 |
367 | DX7 | 0.8777 |
368 | WV7 | 0.8776 |
369 | TES | 0.8776 |
370 | HHB | 0.8775 |
371 | 92O | 0.8774 |
372 | HH6 | 0.8774 |
373 | IW4 | 0.8773 |
374 | C0E | 0.8772 |
375 | 0MB | 0.8771 |
376 | 1OT | 0.8770 |
377 | JL7 | 0.8769 |
378 | FBC | 0.8769 |
379 | JAH | 0.8769 |
380 | 4Z1 | 0.8768 |
381 | A51 | 0.8768 |
382 | BIO | 0.8767 |
383 | 1UW | 0.8764 |
384 | ESZ | 0.8763 |
385 | 5ZM | 0.8762 |
386 | BOS | 0.8761 |
387 | 72H | 0.8761 |
388 | 4GU | 0.8761 |
389 | 57D | 0.8761 |
390 | 2UV | 0.8759 |
391 | NU3 | 0.8754 |
392 | 3IP | 0.8754 |
393 | CT7 | 0.8752 |
394 | TVZ | 0.8750 |
395 | 3VS | 0.8748 |
396 | 1EB | 0.8747 |
397 | 2QV | 0.8746 |
398 | ZUF | 0.8746 |
399 | FZM | 0.8744 |
400 | MJW | 0.8743 |
401 | 738 | 0.8741 |
402 | PJK | 0.8735 |
403 | J8D | 0.8733 |
404 | 5E5 | 0.8733 |
405 | MBE | 0.8727 |
406 | S1C | 0.8723 |
407 | AOX | 0.8721 |
408 | 3WL | 0.8721 |
409 | AX1 | 0.8720 |
410 | UL1 | 0.8719 |
411 | BP5 | 0.8717 |
412 | EZL | 0.8717 |
413 | 5H6 | 0.8716 |
414 | 1KN | 0.8715 |
415 | 5CK | 0.8715 |
416 | 2Q0 | 0.8714 |
417 | S45 | 0.8710 |
418 | DFV | 0.8709 |
419 | GBJ | 0.8709 |
420 | XYS AZI XYS | 0.8709 |
421 | 100 | 0.8707 |
422 | NZ4 | 0.8707 |
423 | 72G | 0.8704 |
424 | X8I | 0.8704 |
425 | 1SX | 0.8704 |
426 | EDZ | 0.8704 |
427 | XIL | 0.8703 |
428 | GJB | 0.8702 |
429 | 0S0 | 0.8701 |
430 | HCC | 0.8699 |
431 | LZ5 | 0.8699 |
432 | R3P | 0.8698 |
433 | QUE | 0.8698 |
434 | LZ4 | 0.8695 |
435 | CMG | 0.8694 |
436 | 3DE | 0.8693 |
437 | 1CE | 0.8693 |
438 | NE2 | 0.8693 |
439 | 5B2 | 0.8691 |
440 | 5EZ | 0.8687 |
441 | IW3 | 0.8685 |
442 | 9C8 | 0.8685 |
443 | CT0 | 0.8684 |
444 | XYP XDN | 0.8683 |
445 | F1T | 0.8682 |
446 | AT2 | 0.8676 |
447 | E98 | 0.8675 |
448 | AND | 0.8674 |
449 | 5NN | 0.8673 |
450 | XYP XIF | 0.8672 |
451 | XIF XYP | 0.8672 |
452 | SWX | 0.8672 |
453 | ESL | 0.8671 |
454 | P4L | 0.8668 |
455 | BVS | 0.8666 |
456 | HPK | 0.8665 |
457 | A11 | 0.8664 |
458 | 1FE | 0.8664 |
459 | HPX | 0.8664 |
460 | XEV | 0.8663 |
461 | FMH | 0.8663 |
462 | 2D2 | 0.8659 |
463 | 5NR | 0.8659 |
464 | GA6 | 0.8657 |
465 | AOI | 0.8657 |
466 | XDN XYP | 0.8656 |
467 | 4KN | 0.8655 |
468 | KWD | 0.8655 |
469 | H0V | 0.8651 |
470 | U4J | 0.8648 |
471 | GF7 | 0.8646 |
472 | G1L | 0.8644 |
473 | HWB | 0.8642 |
474 | JVD | 0.8641 |
475 | 3CX | 0.8639 |
476 | ESE | 0.8635 |
477 | NPX | 0.8633 |
478 | OQR | 0.8618 |
479 | T5J | 0.8618 |
480 | TH1 | 0.8617 |
481 | 6DE | 0.8614 |
482 | LJ5 | 0.8613 |
483 | SNP | 0.8612 |
484 | CWE | 0.8608 |
485 | OJM | 0.8600 |
486 | S16 | 0.8598 |
487 | 6WU | 0.8598 |
488 | 5P7 | 0.8596 |
489 | AV6 | 0.8594 |
490 | DDC | 0.8590 |
491 | 22T | 0.8589 |
492 | 4L2 | 0.8584 |
493 | 2L1 | 0.8584 |
494 | H32 | 0.8582 |
495 | HAU | 0.8574 |
496 | ECS | 0.8570 |
497 | A5W | 0.8565 |
498 | 62D | 0.8563 |
499 | 3GX | 0.8561 |
500 | JTE | 0.8557 |
501 | UN4 | 0.8551 |
502 | ODK | 0.8546 |
503 | GAL NPO | 0.8543 |
504 | BON | 0.8542 |
505 | J38 | 0.8531 |
506 | DMB | 0.8528 |
507 | N08 | 0.8524 |
508 | 521 | 0.8520 |
This union binding pocket(no: 1) in the query (biounit: 3ies.bio1) has 40 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 1RY2 | AMP | 32.3049 |
2 | 6IJB | AMP | 42.8571 |