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- Structure Biounit | Ligand Information
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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 1331 families. | |||||
1 | 3NIF | - | NIF | C11 H15 N5 O S | CCC1=NN2C(.... |
2 | 3ZDY | - | GLY ARG GLY ASP SER PRO | n/a | n/a |
3 | 3ZE2 | - | GLY ARG GLY ASP SER PRO | n/a | n/a |
4 | 2VDR | - | LEU GLY GLY ALA LYS GLN ARG GLY ASP VAL | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 3GJF | Kd = 46 nM | SER LEU LEU MET TRP ILE THR GLN VAL | n/a | n/a |
2 | 2ZPK | - | PRO ARG GLY TYR PRO GLY GLN VAL | n/a | n/a |
3 | 3NIF | - | NIF | C11 H15 N5 O S | CCC1=NN2C(.... |
4 | 3ZDY | - | GLY ARG GLY ASP SER PRO | n/a | n/a |
5 | 3ZE2 | - | GLY ARG GLY ASP SER PRO | n/a | n/a |
6 | 2VDR | - | LEU GLY GLY ALA LYS GLN ARG GLY ASP VAL | n/a | n/a |
7 | 3WFD | - | AXO | C2 H5 N O | C/C=N/O |
8 | 4XTR | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
9 | 1W72 | Kd = 14 nM | GLU ALA ASP PRO THR GLY HIS SER TYR | n/a | n/a |
10 | 6O24 | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
11 | 6ID4 | Kd = 0.000000064 M | ALA ILE PHE GLN SER SER MET THR LYS | n/a | n/a |
12 | 5X2N | - | ALA | C3 H7 N O2 | C[C@@H](C(.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | NIF | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 1V4 | 0.9615 |
2 | 1V3 | 0.9606 |
3 | 40N | 0.9470 |
4 | 6QT | 0.9461 |
5 | F40 | 0.9407 |
6 | P4L | 0.9392 |
7 | 7L4 | 0.9385 |
8 | 0UL | 0.9381 |
9 | DFL | 0.9375 |
10 | 20D | 0.9372 |
11 | LIG | 0.9344 |
12 | PIQ | 0.9340 |
13 | NKI | 0.9336 |
14 | 3GX | 0.9323 |
15 | DDC | 0.9306 |
16 | A73 | 0.9282 |
17 | 25F | 0.9279 |
18 | 6JO | 0.9273 |
19 | RGK | 0.9272 |
20 | 1V1 | 0.9265 |
21 | 5NN | 0.9264 |
22 | SZ5 | 0.9262 |
23 | 1FE | 0.9260 |
24 | CUE | 0.9259 |
25 | 3F4 | 0.9254 |
26 | FCW | 0.9251 |
27 | 0DF | 0.9247 |
28 | 7EH | 0.9247 |
29 | 2GQ | 0.9246 |
30 | AJG | 0.9242 |
31 | HH6 | 0.9241 |
32 | YZ9 | 0.9239 |
33 | A05 | 0.9238 |
34 | II4 | 0.9236 |
35 | WLH | 0.9233 |
36 | 7EL | 0.9227 |
37 | 3SU | 0.9224 |
38 | 57D | 0.9219 |
39 | 272 | 0.9210 |
40 | AJ1 | 0.9209 |
41 | SNJ | 0.9202 |
42 | NPS | 0.9199 |
43 | 3WL | 0.9196 |
44 | 62D | 0.9188 |
45 | 9CE | 0.9184 |
46 | Q0K | 0.9178 |
47 | Q8D | 0.9175 |
48 | 121 | 0.9173 |
49 | Q8G | 0.9169 |
50 | RSV | 0.9169 |
51 | HRD | 0.9168 |
52 | UN3 | 0.9167 |
53 | FSE | 0.9165 |
54 | 6DQ | 0.9165 |
55 | 1Q4 | 0.9163 |
56 | M3W | 0.9155 |
57 | E9L | 0.9146 |
58 | 1HP | 0.9146 |
59 | YE7 | 0.9141 |
60 | 5NR | 0.9136 |
61 | AGI | 0.9131 |
62 | 6JM | 0.9130 |
63 | H2W | 0.9130 |
64 | O9Z | 0.9129 |
65 | MMJ | 0.9128 |
66 | C4E | 0.9127 |
67 | DXK | 0.9125 |
68 | O9T | 0.9122 |
69 | W8L | 0.9112 |
70 | CDJ | 0.9112 |
71 | NRA | 0.9110 |
72 | IDZ | 0.9100 |
73 | 3JC | 0.9099 |
74 | 801 | 0.9099 |
75 | COL | 0.9097 |
76 | 7G2 | 0.9094 |
77 | 124 | 0.9088 |
78 | O9Q | 0.9086 |
79 | A6W | 0.9086 |
80 | K4T | 0.9082 |
81 | 6B5 | 0.9082 |
82 | 0OK | 0.9079 |
83 | LU2 | 0.9074 |
84 | VT3 | 0.9069 |
85 | 122 | 0.9065 |
86 | RF2 | 0.9063 |
87 | H4B | 0.9061 |
88 | OTA | 0.9054 |
89 | FT6 | 0.9053 |
90 | CX4 | 0.9052 |
91 | 39R | 0.9046 |
92 | 4QX | 0.9046 |
93 | DX2 | 0.9045 |
94 | LC1 | 0.9041 |
95 | AD6 | 0.9038 |
96 | 3DE | 0.9037 |
97 | 5DE | 0.9033 |
98 | KP2 | 0.9033 |
99 | A9B | 0.9032 |
100 | 1R5 | 0.9032 |
101 | 7LU | 0.9031 |
102 | 2D2 | 0.9030 |
103 | GEN | 0.9027 |
104 | LI7 | 0.9022 |
105 | 7FU | 0.9022 |
106 | BBP | 0.9021 |
107 | 120 | 0.9021 |
108 | 6XC | 0.9020 |
109 | D64 | 0.9020 |
110 | 27F | 0.9017 |
111 | 0NJ | 0.9013 |
112 | NAR | 0.9008 |
113 | 5F8 | 0.9008 |
114 | DFV | 0.9006 |
115 | 0SX | 0.9005 |
116 | 3D8 | 0.9005 |
117 | 7KE | 0.9004 |
118 | 5FL | 0.9001 |
119 | A63 | 0.9000 |
120 | EZL | 0.8997 |
121 | 90M | 0.8996 |
122 | IQW | 0.8994 |
123 | 4NR | 0.8994 |
124 | LR2 | 0.8991 |
125 | SJR | 0.8990 |
126 | 5E5 | 0.8990 |
127 | 1V8 | 0.8989 |
128 | 4R0 | 0.8989 |
129 | 5S9 | 0.8986 |
130 | 08C | 0.8985 |
131 | Q4G | 0.8985 |
132 | NYJ | 0.8985 |
133 | ZSP | 0.8984 |
134 | AJD | 0.8984 |
135 | 6BK | 0.8981 |
136 | 90G | 0.8974 |
137 | NPX | 0.8973 |
138 | 78Y | 0.8971 |
139 | AO | 0.8970 |
140 | OPA | 0.8968 |
141 | KMP | 0.8966 |
142 | FYR | 0.8964 |
143 | 5TT | 0.8963 |
144 | 109 | 0.8961 |
145 | 4AU | 0.8960 |
146 | 4CN | 0.8959 |
147 | 5B2 | 0.8959 |
148 | 1UZ | 0.8955 |
149 | 9JT | 0.8953 |
150 | P7V | 0.8949 |
151 | AVX | 0.8948 |
152 | Y3L | 0.8947 |
153 | ZAR | 0.8947 |
154 | 5E2 | 0.8946 |
155 | 2QU | 0.8945 |
156 | 5WT | 0.8940 |
157 | 4UM | 0.8939 |
158 | BVS | 0.8938 |
159 | LWS | 0.8937 |
160 | 5KN | 0.8936 |
161 | 6FX | 0.8936 |
162 | 4Z1 | 0.8934 |
163 | 20N | 0.8934 |
164 | AX1 | 0.8927 |
165 | H2B | 0.8926 |
166 | 0MB | 0.8920 |
167 | CX6 | 0.8919 |
168 | PRL | 0.8917 |
169 | 91F | 0.8915 |
170 | BMZ | 0.8915 |
171 | QUE | 0.8914 |
172 | HBI | 0.8914 |
173 | AVA | 0.8913 |
174 | IK1 | 0.8913 |
175 | 1DR | 0.8913 |
176 | H0V | 0.8912 |
177 | AP6 | 0.8908 |
178 | L2K | 0.8905 |
179 | 3WK | 0.8904 |
180 | IQQ | 0.8904 |
181 | JCZ | 0.8903 |
182 | D26 | 0.8902 |
183 | UAY | 0.8900 |
184 | CR4 | 0.8900 |
185 | 5P3 | 0.8894 |
186 | 5WW | 0.8893 |
187 | HHB | 0.8893 |
188 | 15Q | 0.8888 |
189 | 47V | 0.8888 |
190 | HA6 | 0.8887 |
191 | LZ7 | 0.8886 |
192 | TRP | 0.8886 |
193 | 833 | 0.8882 |
194 | 4L2 | 0.8882 |
195 | DBE | 0.8879 |
196 | U14 | 0.8878 |
197 | DX7 | 0.8878 |
198 | JSX | 0.8878 |
199 | 2WU | 0.8874 |
200 | 5ZM | 0.8873 |
201 | VBC | 0.8872 |
202 | 28A | 0.8871 |
203 | BHS | 0.8869 |
204 | LL1 | 0.8867 |
205 | AH6 | 0.8864 |
206 | BRY | 0.8863 |
207 | L5D | 0.8862 |
208 | GB4 | 0.8861 |
209 | 2QV | 0.8861 |
210 | 7M2 | 0.8861 |
211 | NVS | 0.8860 |
212 | 3C5 | 0.8859 |
213 | H75 | 0.8856 |
214 | 39Z | 0.8855 |
215 | 108 | 0.8854 |
216 | HMZ | 0.8853 |
217 | BIO | 0.8852 |
218 | AMR | 0.8851 |
219 | 2JX | 0.8849 |
220 | BZM | 0.8848 |
221 | 2GE | 0.8846 |
222 | 397 | 0.8846 |
223 | 27M | 0.8846 |
224 | 18E | 0.8845 |
225 | AXX | 0.8845 |
226 | I0G | 0.8843 |
227 | LUM | 0.8840 |
228 | 5TO | 0.8838 |
229 | BGU | 0.8838 |
230 | D25 | 0.8837 |
231 | 5VU | 0.8837 |
232 | 51Y | 0.8834 |
233 | SAK | 0.8834 |
234 | 3MI | 0.8832 |
235 | CHQ | 0.8831 |
236 | 60L | 0.8831 |
237 | CWE | 0.8831 |
238 | 97K | 0.8829 |
239 | EST | 0.8829 |
240 | 338 | 0.8828 |
241 | FY8 | 0.8828 |
242 | RVE | 0.8827 |
243 | 92O | 0.8825 |
244 | 3WO | 0.8824 |
245 | 3WN | 0.8824 |
246 | G2V | 0.8823 |
247 | 5TZ | 0.8820 |
248 | SO7 | 0.8819 |
249 | BBY | 0.8818 |
250 | M78 | 0.8817 |
251 | 205 | 0.8817 |
252 | S60 | 0.8817 |
253 | A8D | 0.8816 |
254 | MKN | 0.8815 |
255 | 8CC | 0.8815 |
256 | S1D | 0.8814 |
257 | OLU | 0.8814 |
258 | 01I | 0.8814 |
259 | 1EL | 0.8814 |
260 | 5E1 | 0.8813 |
261 | S98 | 0.8812 |
262 | 697 | 0.8810 |
263 | 5V7 | 0.8810 |
264 | 4FF | 0.8810 |
265 | H35 | 0.8809 |
266 | LZ4 | 0.8809 |
267 | 1AJ | 0.8808 |
268 | 4HG | 0.8807 |
269 | KU1 | 0.8806 |
270 | 2J1 | 0.8806 |
271 | 0SY | 0.8805 |
272 | K7H | 0.8804 |
273 | SNB | 0.8803 |
274 | 4GU | 0.8803 |
275 | 4DE | 0.8803 |
276 | WDW | 0.8801 |
277 | AQN | 0.8801 |
278 | 19E | 0.8801 |
279 | 6P3 | 0.8801 |
280 | 363 | 0.8797 |
281 | EQU | 0.8796 |
282 | 52F | 0.8795 |
283 | NEO | 0.8795 |
284 | GJG | 0.8794 |
285 | 5C1 | 0.8793 |
286 | IOP | 0.8790 |
287 | 23M | 0.8790 |
288 | AUV | 0.8790 |
289 | QS4 | 0.8790 |
290 | 4AB | 0.8788 |
291 | 8M5 | 0.8786 |
292 | M4N | 0.8786 |
293 | JTF | 0.8784 |
294 | 6C5 | 0.8783 |
295 | QIV | 0.8782 |
296 | MT6 | 0.8781 |
297 | M83 | 0.8781 |
298 | XIF XYP | 0.8779 |
299 | IQZ | 0.8779 |
300 | ZRK | 0.8777 |
301 | EES | 0.8775 |
302 | SU9 | 0.8774 |
303 | E6Q | 0.8774 |
304 | TCR | 0.8772 |
305 | WS7 | 0.8771 |
306 | 196 | 0.8771 |
307 | BJ4 | 0.8766 |
308 | JMG | 0.8766 |
309 | VM1 | 0.8764 |
310 | KLS | 0.8764 |
311 | 6FB | 0.8761 |
312 | B7H | 0.8761 |
313 | EY2 | 0.8758 |
314 | 4UE | 0.8756 |
315 | 22T | 0.8754 |
316 | X2M | 0.8753 |
317 | Z3R | 0.8750 |
318 | 517 | 0.8745 |
319 | N5B | 0.8744 |
320 | GUS | 0.8744 |
321 | 609 | 0.8742 |
322 | MYU | 0.8742 |
323 | MBT | 0.8741 |
324 | 6VW | 0.8740 |
325 | A64 | 0.8735 |
326 | QUG | 0.8734 |
327 | XZ1 | 0.8734 |
328 | 6DH | 0.8733 |
329 | B4L | 0.8732 |
330 | 5F5 | 0.8732 |
331 | 6C8 | 0.8731 |
332 | HMX | 0.8729 |
333 | U12 | 0.8727 |
334 | ZRL | 0.8726 |
335 | 49P | 0.8726 |
336 | TEF | 0.8724 |
337 | 4B8 | 0.8722 |
338 | SGW | 0.8722 |
339 | 4ZF | 0.8721 |
340 | JRO | 0.8720 |
341 | 802 | 0.8720 |
342 | MYC | 0.8716 |
343 | MRI | 0.8716 |
344 | 4I8 | 0.8715 |
345 | RKV | 0.8714 |
346 | NK5 | 0.8714 |
347 | YE6 | 0.8713 |
348 | A5H | 0.8712 |
349 | XYP XIF | 0.8711 |
350 | RCV | 0.8710 |
351 | 0FR | 0.8710 |
352 | V2Z | 0.8709 |
353 | 878 | 0.8708 |
354 | 657 | 0.8706 |
355 | 2P3 | 0.8705 |
356 | FHV | 0.8704 |
357 | XYP XDN | 0.8704 |
358 | 8SK | 0.8703 |
359 | A98 | 0.8702 |
360 | C0W | 0.8702 |
361 | DX8 | 0.8702 |
362 | SDN | 0.8701 |
363 | BHF | 0.8701 |
364 | 68B | 0.8701 |
365 | SVG | 0.8700 |
366 | NAL | 0.8698 |
367 | ET0 | 0.8697 |
368 | U4J | 0.8697 |
369 | 6ZE | 0.8696 |
370 | XDN XYP | 0.8696 |
371 | IQ5 | 0.8694 |
372 | J38 | 0.8694 |
373 | 1EB | 0.8692 |
374 | 4QY | 0.8691 |
375 | 1UT | 0.8691 |
376 | NU3 | 0.8690 |
377 | MXD | 0.8689 |
378 | F18 | 0.8688 |
379 | 761 | 0.8688 |
380 | 2PK | 0.8688 |
381 | 1XS | 0.8684 |
382 | KLV | 0.8682 |
383 | KWB | 0.8682 |
384 | HCC | 0.8681 |
385 | E3U | 0.8681 |
386 | IDD | 0.8680 |
387 | KWV | 0.8679 |
388 | RHN | 0.8678 |
389 | B61 | 0.8678 |
390 | 5OR | 0.8677 |
391 | EAA | 0.8676 |
392 | CC6 | 0.8674 |
393 | U55 | 0.8673 |
394 | MUK | 0.8673 |
395 | 1V0 | 0.8671 |
396 | T21 | 0.8670 |
397 | DN8 | 0.8668 |
398 | FNT | 0.8667 |
399 | HUL | 0.8667 |
400 | IXM | 0.8667 |
401 | 8HH | 0.8667 |
402 | 9BF | 0.8666 |
403 | NFZ | 0.8666 |
404 | BIT | 0.8665 |
405 | 1KX | 0.8665 |
406 | UV4 | 0.8661 |
407 | 5ER | 0.8661 |
408 | GNV | 0.8660 |
409 | MUR | 0.8660 |
410 | 0H5 | 0.8656 |
411 | EAT | 0.8655 |
412 | 27K | 0.8655 |
413 | LR8 | 0.8654 |
414 | TPM | 0.8653 |
415 | S62 | 0.8652 |
416 | T34 | 0.8652 |
417 | KF5 | 0.8651 |
418 | NG6 | 0.8649 |
419 | 041 | 0.8648 |
420 | 4Z9 | 0.8648 |
421 | HNT | 0.8646 |
422 | O53 | 0.8646 |
423 | T61 | 0.8646 |
424 | DQH | 0.8646 |
425 | ESZ | 0.8644 |
426 | HRM | 0.8643 |
427 | B21 | 0.8643 |
428 | Q5M | 0.8641 |
429 | 16G | 0.8638 |
430 | 6FG | 0.8638 |
431 | 3Y7 | 0.8638 |
432 | 7ZL | 0.8637 |
433 | 4G2 | 0.8637 |
434 | 1FL | 0.8637 |
435 | F36 | 0.8635 |
436 | ZEA | 0.8633 |
437 | MJW | 0.8633 |
438 | CG | 0.8633 |
439 | JFS | 0.8632 |
440 | WV7 | 0.8631 |
441 | 17M | 0.8630 |
442 | 0RA | 0.8629 |
443 | OUA | 0.8626 |
444 | SSY | 0.8626 |
445 | 9X3 | 0.8625 |
446 | J1K | 0.8624 |
447 | HWB | 0.8623 |
448 | 0LO | 0.8622 |
449 | 78P | 0.8622 |
450 | 1OT | 0.8617 |
451 | KSF | 0.8616 |
452 | S0J | 0.8615 |
453 | 2OX | 0.8615 |
454 | 7AP | 0.8612 |
455 | 3C3 | 0.8610 |
456 | 0K7 | 0.8610 |
457 | OUG | 0.8608 |
458 | BU7 | 0.8607 |
459 | P4T | 0.8607 |
460 | JHY | 0.8606 |
461 | 6NZ | 0.8605 |
462 | LEL | 0.8602 |
463 | JF8 | 0.8601 |
464 | X2L | 0.8600 |
465 | DTQ | 0.8597 |
466 | X48 | 0.8592 |
467 | NDD | 0.8592 |
468 | ADL | 0.8591 |
469 | 0LA | 0.8589 |
470 | 2PW | 0.8588 |
471 | TMG | 0.8585 |
472 | IS2 | 0.8585 |
473 | CLI | 0.8583 |
474 | XCG | 0.8582 |
475 | 2UD | 0.8580 |
476 | 1UR | 0.8580 |
477 | 6SD | 0.8579 |
478 | 0ON | 0.8578 |
479 | AZN | 0.8574 |
480 | JVD | 0.8572 |
481 | ECS | 0.8570 |
482 | PMM | 0.8570 |
483 | Q7U | 0.8567 |
484 | 3VQ | 0.8565 |
485 | 3VX | 0.8563 |
486 | M3F | 0.8561 |
487 | UN9 | 0.8559 |
488 | 2LW | 0.8558 |
489 | 4YF | 0.8555 |
490 | JF5 | 0.8554 |
491 | N1E | 0.8554 |
492 | U7E | 0.8550 |
493 | AOM | 0.8550 |
494 | 36K | 0.8547 |
495 | L02 | 0.8544 |
496 | ZZA | 0.8541 |
497 | 69W | 0.8534 |
498 | 8NB | 0.8532 |
499 | ZEZ | 0.8529 |
This union binding pocket(no: 1) in the query (biounit: 3ze2.bio2) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |