Receptor
PDB id Resolution Class Description Source Keywords
1W1Q 1.8 Å EC: 1.5.99.12 PLANT CYTOKININ DEHYDROGENASE IN COMPLEX WITH ISOPENTENYLADE ZEA MAYS FLAVIN CYTOKININ OXIDOREDUCTASE FLAVOPROTEIN FAD
Ref.: STRUCTURES OF MICHAELIS AND PRODUCT COMPLEXES OF PL CYTOKININ DEHYDROGENASE: IMPLICATIONS FOR FLAVOENZY CATALYSIS J.MOL.BIOL. V. 341 1237 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FAD A:1535;
Part of Protein;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
NAG A:1537;
A:1538;
A:1541;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
NAG NAG B:1;
Part of Protein;
none;
submit data
408.404 n/a O=C(N...
ZIP A:1536;
Valid;
none;
submit data
203.244 C10 H13 N5 CC(=C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3KJM 1.9 Å EC: 1.5.99.12 LEU492ALA MUTANT OF MAIZE CYTOKININ OXIDASE/DEHYDROGENASE CO WITH PHENYLUREA INHIBITOR CPPU ZEA MAYS CYTOKININ OXIDASE/DEHYDROGENASE FLAVOPROTEIN FAD INHIBITOGLYCOPROTEIN SECRETED OXIDOREDUCTASE-INHIBITOR COMPLEX
Ref.: PHENYL- AND BENZYLUREA CYTOKININS AS COMPETITIVE IN OF CYTOKININ OXIDASE/DEHYDROGENASE: A STRUCTURAL ST BIOCHIMIE V. 92 1052 2010
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1W1Q - ZIP C10 H13 N5 CC(=CCNc1c....
2 2QKN ic50 = 18 uM 245 C12 H10 Cl N3 O c1ccc(cc1)....
3 2QPM ic50 = 42 uM 246 C13 H12 Cl N3 O c1ccc(cc1)....
4 3KJM ic50 = 1.5 uM 245 C12 H10 Cl N3 O c1ccc(cc1)....
5 1W1S - EMU C12 H11 N5 c1ccc(cc1)....
6 1W1R - ZEA C10 H13 N5 O C/C(=CCNc1....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1W1Q - ZIP C10 H13 N5 CC(=CCNc1c....
2 2QKN ic50 = 18 uM 245 C12 H10 Cl N3 O c1ccc(cc1)....
3 2QPM ic50 = 42 uM 246 C13 H12 Cl N3 O c1ccc(cc1)....
4 3KJM ic50 = 1.5 uM 245 C12 H10 Cl N3 O c1ccc(cc1)....
5 1W1S - EMU C12 H11 N5 c1ccc(cc1)....
6 1W1R - ZEA C10 H13 N5 O C/C(=CCNc1....
50% Homology Family (15)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4OAL - 245 C12 H10 Cl N3 O c1ccc(cc1)....
2 5HMR ic50 = 35 uM FDZ C10 H7 F3 N4 O2 S c1cc(cc(c1....
3 6YAP ic50 = 0.37 uM OHZ C16 H14 Cl F3 N2 O3 c1ccc(c(c1....
4 5HHZ - ZME C10 H9 N5 Cc1ccn(c1)....
5 5HQX ic50 = 120 uM EDZ C11 H12 N4 O2 S c1ccc(c(c1....
6 6YAO ic50 = 1.5 uM OJ2 C16 H15 F3 N2 O3 c1ccc(c(c1....
7 4O95 - 245 C12 H10 Cl N3 O c1ccc(cc1)....
8 2Q4W - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
9 1W1Q - ZIP C10 H13 N5 CC(=CCNc1c....
10 2QKN ic50 = 18 uM 245 C12 H10 Cl N3 O c1ccc(cc1)....
11 2QPM ic50 = 42 uM 246 C13 H12 Cl N3 O c1ccc(cc1)....
12 3KJM ic50 = 1.5 uM 245 C12 H10 Cl N3 O c1ccc(cc1)....
13 1W1S - EMU C12 H11 N5 c1ccc(cc1)....
14 1W1R - ZEA C10 H13 N5 O C/C(=CCNc1....
15 6YAQ ic50 = 0.059 uM OHZ C16 H14 Cl F3 N2 O3 c1ccc(c(c1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ZIP; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 ZIP 1 1
2 ZEZ 0.745455 0.808511
3 ZEA 0.745455 0.808511
4 2KU 0.533333 0.636364
5 EMU 0.492063 0.804878
Similar Ligands (3D)
Ligand no: 1; Ligand: ZIP; Similar ligands found: 631
No: Ligand Similarity coefficient
1 WA2 0.9798
2 L21 0.9765
3 H35 0.9688
4 3IB 0.9568
5 12R 0.9513
6 TRP 0.9478
7 MBP 0.9464
8 9F8 0.9460
9 IOP 0.9457
10 I2E 0.9457
11 HWH 0.9434
12 Q5M 0.9429
13 ASE 0.9424
14 ONZ 0.9417
15 EYY 0.9391
16 3D8 0.9388
17 QUB 0.9377
18 3EB 0.9375
19 A4V 0.9354
20 9BF 0.9333
21 C9E 0.9324
22 DHC 0.9287
23 FER 0.9284
24 6HP 0.9284
25 HA6 0.9278
26 GJK 0.9272
27 9E3 0.9265
28 C9M 0.9261
29 NAL 0.9260
30 HBI 0.9256
31 7PJ 0.9250
32 GO8 0.9247
33 8BD 0.9235
34 PLP 0.9230
35 ZME 0.9229
36 C4E 0.9226
37 HHV 0.9225
38 9JT 0.9223
39 5WN 0.9215
40 BDI 0.9207
41 ELH 0.9205
42 55D 0.9202
43 6Q3 0.9199
44 4ZF 0.9198
45 M02 0.9198
46 PMP 0.9194
47 ZZ2 0.9190
48 DTR 0.9187
49 4BX 0.9186
50 NFZ 0.9185
51 5WT 0.9182
52 0FR 0.9178
53 EYJ 0.9177
54 3D3 0.9176
55 EXG 0.9171
56 KYN 0.9167
57 EYM 0.9162
58 F5C 0.9157
59 XQI 0.9154
60 FUZ 0.9154
61 FF2 0.9150
62 QIV 0.9144
63 UAY 0.9139
64 CX4 0.9137
65 G6P 0.9136
66 IPL 0.9129
67 3LJ 0.9129
68 AC2 0.9128
69 CMG 0.9127
70 4FE 0.9126
71 OSB 0.9119
72 CIY 0.9117
73 4Z9 0.9115
74 5ER 0.9112
75 AEY 0.9111
76 HVE 0.9110
77 PXP 0.9110
78 ML1 0.9105
79 2LT 0.9102
80 QH3 0.9102
81 DTE 0.9099
82 67Y 0.9095
83 PLR 0.9087
84 GA2 0.9086
85 B41 0.9086
86 SB9 0.9083
87 N7I 0.9082
88 PE2 0.9082
89 HPT 0.9081
90 5JT 0.9080
91 AOY 0.9080
92 20D 0.9078
93 JXQ 0.9073
94 JPQ 0.9073
95 D9Z 0.9070
96 DFL 0.9068
97 YE7 0.9065
98 STV 0.9063
99 LLG 0.9062
100 LR2 0.9060
101 ZRK 0.9054
102 UN4 0.9048
103 AUY 0.9047
104 MD6 0.9044
105 LI4 0.9043
106 CTE 0.9042
107 O2Y 0.9042
108 RE4 0.9041
109 AVX 0.9041
110 2GQ 0.9040
111 ITW 0.9040
112 M01 0.9039
113 JBB 0.9039
114 SCE 0.9037
115 ZRL 0.9032
116 BG6 0.9032
117 XEN 0.9030
118 MPP 0.9029
119 BGP 0.9027
120 1V1 0.9027
121 8Y7 0.9027
122 MUX 0.9027
123 R4E 0.9026
124 FNA 0.9025
125 A73 0.9025
126 28S 0.9023
127 ZHA 0.9023
128 EGR 0.9023
129 AYS 0.9022
130 1Q4 0.9021
131 NIY 0.9018
132 4GU 0.9015
133 DXK 0.9012
134 MH5 0.9011
135 PIQ 0.9011
136 GZV 0.9010
137 DE7 0.9009
138 BSA 0.9009
139 KWB 0.9007
140 5VU 0.9006
141 B23 0.9004
142 LTN 0.9003
143 RK4 0.9002
144 LRW 0.9001
145 7PS 0.9000
146 5TO 0.9000
147 1QV 0.8999
148 M6P 0.8998
149 1FE 0.8998
150 GOE 0.8996
151 52F 0.8993
152 X04 0.8993
153 WLH 0.8992
154 B21 0.8992
155 4RG 0.8991
156 0XR 0.8990
157 6J5 0.8988
158 6DQ 0.8987
159 QIF 0.8986
160 3IL 0.8985
161 H4B 0.8984
162 F18 0.8980
163 SYE 0.8979
164 C09 0.8978
165 OLU 0.8977
166 SNR 0.8973
167 EQA 0.8973
168 F40 0.8972
169 6NJ 0.8968
170 TJM 0.8965
171 5O5 0.8964
172 YIH 0.8964
173 3VX 0.8964
174 4R1 0.8963
175 FY8 0.8962
176 TB8 0.8961
177 5WM 0.8959
178 B5A 0.8958
179 JFS 0.8957
180 EYA 0.8956
181 3WN 0.8956
182 3WO 0.8956
183 LQG 0.8954
184 BTN 0.8953
185 3AK 0.8951
186 5WS 0.8950
187 IAG 0.8950
188 YIP 0.8949
189 5B2 0.8949
190 6C8 0.8949
191 FHV 0.8947
192 1QP 0.8944
193 ALN 0.8944
194 ZYC 0.8943
195 833 0.8942
196 KLV 0.8941
197 5NN 0.8941
198 8M5 0.8940
199 YF3 0.8939
200 7L4 0.8939
201 0OP 0.8938
202 6FG 0.8937
203 M9N 0.8937
204 P80 0.8936
205 3Y7 0.8935
206 NKI 0.8934
207 2FX 0.8933
208 ZYV 0.8933
209 M6D 0.8929
210 848 0.8928
211 G30 0.8926
212 GLP 0.8926
213 ZYQ 0.8923
214 P2L 0.8922
215 25F 0.8921
216 14W 0.8921
217 D8Q 0.8918
218 MJW 0.8915
219 C0W 0.8914
220 NW1 0.8913
221 AMR 0.8913
222 YOF 0.8913
223 RNK 0.8912
224 L12 0.8912
225 FIP 0.8912
226 GHQ 0.8911
227 3WK 0.8909
228 MFZ 0.8907
229 7VY 0.8907
230 V15 0.8904
231 2JX 0.8904
232 2UD 0.8904
233 3IP 0.8903
234 5E5 0.8903
235 H2B 0.8902
236 JCZ 0.8900
237 GI4 0.8899
238 0SY 0.8899
239 TOH 0.8899
240 S7D 0.8898
241 3N0 0.8895
242 JY2 0.8895
243 NPL 0.8895
244 XG1 0.8894
245 A5H 0.8894
246 1A6 0.8893
247 NQH 0.8890
248 96Z 0.8890
249 SZ5 0.8889
250 GB4 0.8889
251 VJJ 0.8889
252 BC3 0.8887
253 U13 0.8886
254 TOM 0.8885
255 RCV 0.8885
256 4YE 0.8885
257 6J9 0.8885
258 M3W 0.8884
259 NIP 0.8882
260 A6W 0.8882
261 0QV 0.8882
262 3F4 0.8882
263 CHQ 0.8881
264 0UL 0.8881
265 L07 0.8879
266 B2E 0.8876
267 5V7 0.8875
268 RGK 0.8875
269 EXL 0.8875
270 JTF 0.8873
271 4CN 0.8873
272 O2A 0.8872
273 BTI 0.8871
274 SQM 0.8871
275 SXX 0.8869
276 XRS 0.8867
277 D87 0.8867
278 B4L 0.8867
279 5HG 0.8866
280 78P 0.8865
281 VBC 0.8864
282 IKY 0.8863
283 JYE 0.8862
284 SRO 0.8861
285 BIO 0.8861
286 LL1 0.8861
287 IDZ 0.8860
288 5AV 0.8859
289 6GP 0.8858
290 RVE 0.8858
291 2VQ 0.8857
292 JVD 0.8857
293 BTQ 0.8856
294 JSX 0.8855
295 APS 0.8855
296 S1D 0.8854
297 0QA 0.8854
298 FSU 0.8853
299 S7G 0.8853
300 MXD 0.8853
301 AZY 0.8852
302 6N4 0.8851
303 47V 0.8851
304 363 0.8849
305 NU3 0.8846
306 XCG 0.8845
307 56N 0.8844
308 27F 0.8844
309 092 0.8843
310 3GX 0.8842
311 JXT 0.8840
312 MP5 0.8840
313 DAH 0.8839
314 H0V 0.8838
315 3B4 0.8838
316 LVD 0.8836
317 GO2 0.8835
318 HH6 0.8834
319 ARP 0.8834
320 108 0.8832
321 XDE 0.8832
322 GXG 0.8831
323 CG 0.8830
324 AZC 0.8829
325 8MP 0.8828
326 CBE 0.8827
327 D80 0.8826
328 8UY 0.8825
329 6C9 0.8822
330 E9S 0.8822
331 3XH 0.8822
332 BZM 0.8821
333 1BW 0.8819
334 AGI 0.8819
335 NTF 0.8817
336 1HR 0.8816
337 MMS 0.8816
338 Q9T 0.8814
339 ETV 0.8812
340 FCW 0.8811
341 DDC 0.8810
342 S8D 0.8809
343 NFK 0.8808
344 WCU 0.8808
345 A7K 0.8808
346 QS4 0.8806
347 TSS 0.8805
348 PBN 0.8804
349 JP2 0.8804
350 4OG 0.8803
351 27K 0.8803
352 ET0 0.8802
353 LSQ 0.8802
354 QC1 0.8802
355 P4L 0.8801
356 4K2 0.8801
357 LJ1 0.8799
358 7EH 0.8799
359 ARG 0.8799
360 FWD 0.8798
361 STT 0.8797
362 4AB 0.8797
363 ZYW 0.8797
364 0DF 0.8797
365 2P3 0.8797
366 TMG 0.8796
367 YE6 0.8796
368 S0D 0.8796
369 TXW 0.8794
370 5P3 0.8794
371 PMM 0.8792
372 4FF 0.8790
373 4AU 0.8789
374 HMZ 0.8788
375 5F8 0.8787
376 A63 0.8787
377 TL5 0.8784
378 BQ2 0.8783
379 3SU 0.8782
380 E9L 0.8779
381 1UZ 0.8779
382 DBS 0.8777
383 3JC 0.8776
384 F91 0.8775
385 GVI 0.8775
386 BB4 0.8774
387 VT3 0.8774
388 N91 0.8773
389 MUK 0.8773
390 BK9 0.8772
391 DL6 0.8771
392 RSV 0.8770
393 5C1 0.8769
394 RNP 0.8768
395 22T 0.8768
396 PQT 0.8768
397 78U 0.8766
398 1HP 0.8765
399 N1E 0.8765
400 D1Y 0.8762
401 AX5 0.8760
402 H7Y 0.8760
403 STL 0.8755
404 A51 0.8755
405 5FL 0.8755
406 JD7 0.8751
407 57D 0.8750
408 CX6 0.8748
409 CDJ 0.8746
410 NHT 0.8745
411 NBV 0.8745
412 FT6 0.8743
413 4XF 0.8742
414 S8G 0.8742
415 1V4 0.8742
416 1VQ 0.8742
417 PJK 0.8741
418 26C 0.8741
419 M1D 0.8740
420 MHB 0.8739
421 6XC 0.8738
422 3WL 0.8738
423 VM1 0.8737
424 68B 0.8736
425 RDV 0.8735
426 QME 0.8734
427 EBQ 0.8734
428 FC3 0.8732
429 GJB 0.8731
430 SIJ 0.8730
431 6C5 0.8729
432 2WU 0.8729
433 HPX 0.8728
434 WG8 0.8728
435 PZP 0.8726
436 78Y 0.8723
437 O9Z 0.8723
438 4I8 0.8722
439 ZIQ 0.8717
440 6PB 0.8717
441 5F1 0.8716
442 EMF 0.8716
443 BGU 0.8715
444 159 0.8715
445 ALE 0.8715
446 0OK 0.8715
447 CR1 0.8715
448 15I 0.8714
449 HBO 0.8714
450 GI2 0.8713
451 L3L 0.8713
452 6L6 0.8713
453 4MX 0.8710
454 2LY 0.8709
455 Z25 0.8709
456 1V3 0.8708
457 CQW 0.8708
458 IM5 0.8707
459 P93 0.8706
460 4Z1 0.8706
461 NWD 0.8705
462 H2W 0.8704
463 1PS 0.8704
464 O9Q 0.8702
465 TU0 0.8702
466 08C 0.8702
467 0H5 0.8702
468 1FL 0.8700
469 2L1 0.8698
470 HC4 0.8698
471 AVA 0.8698
472 X2M 0.8698
473 2HC 0.8697
474 0LH 0.8696
475 S98 0.8695
476 W8L 0.8694
477 AP6 0.8694
478 OJD 0.8693
479 GGB 0.8693
480 RUG 0.8693
481 QBM 0.8691
482 F6P 0.8690
483 5E4 0.8690
484 LI7 0.8689
485 3M8 0.8689
486 TA6 0.8688
487 7VF 0.8687
488 2QV 0.8687
489 4GP 0.8687
490 L5D 0.8686
491 KPV 0.8686
492 NAR 0.8685
493 JGY 0.8685
494 RGG 0.8685
495 5OO 0.8684
496 6BK 0.8680
497 PUE 0.8680
498 4YF 0.8679
499 S0A 0.8677
500 2QU 0.8676
501 TZP 0.8676
502 SNY 0.8676
503 2L2 0.8675
504 R9G 0.8674
505 EV2 0.8674
506 RKV 0.8674
507 RDM 0.8672
508 M78 0.8672
509 D6G 0.8669
510 DX6 0.8666
511 RCM 0.8666
512 SYY 0.8665
513 2D2 0.8664
514 LAH 0.8664
515 FCD 0.8663
516 J4K 0.8662
517 LOT 0.8662
518 II4 0.8658
519 ZSP 0.8657
520 SB7 0.8657
521 Q4G 0.8654
522 S7V 0.8652
523 IQQ 0.8652
524 28B 0.8652
525 3TI 0.8652
526 JYT 0.8652
527 15A 0.8650
528 8YH 0.8649
529 Q0K 0.8647
530 4F8 0.8645
531 SQV 0.8645
532 1XS 0.8644
533 FC2 0.8644
534 S7S 0.8643
535 JXK 0.8642
536 LEU PRO 0.8642
537 0ON 0.8641
538 M5H 0.8639
539 EV3 0.8639
540 3VQ 0.8638
541 OLN 0.8635
542 CX5 0.8634
543 KLS 0.8634
544 LJ2 0.8633
545 TRF 0.8633
546 5GV 0.8633
547 M77 0.8632
548 S60 0.8631
549 S7P 0.8629
550 OTA 0.8629
551 GB5 0.8629
552 PLP PMP 0.8628
553 PTB 0.8626
554 9GP 0.8624
555 HJ1 0.8624
556 HL6 0.8624
557 5F5 0.8623
558 11X 0.8623
559 0HZ 0.8620
560 CWD 0.8620
561 MR4 0.8619
562 7ZO 0.8618
563 BBY 0.8618
564 245 0.8616
565 7G2 0.8612
566 NEU 0.8612
567 6TJ 0.8609
568 U4J 0.8606
569 IDD 0.8606
570 CIR 0.8606
571 NFM 0.8606
572 LU2 0.8605
573 3TC 0.8605
574 M83 0.8603
575 9CE 0.8602
576 8KW 0.8601
577 7NU 0.8599
578 QUG 0.8597
579 O9T 0.8596
580 58X 0.8596
581 91F 0.8596
582 1A5 0.8595
583 97K 0.8594
584 1V0 0.8593
585 5WW 0.8592
586 LUM 0.8590
587 HL4 0.8589
588 GI1 0.8589
589 5O6 0.8589
590 ALY 0.8589
591 1SF 0.8587
592 BMC 0.8583
593 36M 0.8582
594 IYR 0.8581
595 4TX 0.8580
596 ITE 0.8580
597 1V8 0.8580
598 RKY 0.8578
599 S2C 0.8576
600 IQS 0.8575
601 B61 0.8573
602 6C4 0.8572
603 MR6 0.8571
604 OPA 0.8571
605 KTM 0.8567
606 GAT 0.8567
607 38E 0.8566
608 A7H 0.8562
609 SSY 0.8556
610 MW5 0.8556
611 2M7 0.8555
612 0K7 0.8551
613 XEV 0.8550
614 3GV 0.8549
615 263 0.8549
616 1EB 0.8549
617 34L 0.8547
618 4Z3 0.8546
619 3G1 0.8545
620 BVB 0.8541
621 ISC 0.8541
622 HRD 0.8540
623 WA1 0.8540
624 5SJ 0.8540
625 NEO 0.8534
626 PAL 0.8534
627 CDY 0.8533
628 MKN 0.8532
629 3D1 0.8521
630 PCX 0.8521
631 P81 0.8510
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3KJM; Ligand: 245; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3kjm.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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