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Receptor
PDB id Resolution Class Description Source Keywords
4F9C 2.08 Å EC: 2.7.11.1 HUMAN CDC7 KINASE IN COMPLEX WITH DBF4 AND XL413 HOMO SAPIENS SER/THR PROTEIN KINASE TRANSFERASE PHOSPHORYLATION CELL CCELL DIVISION MITOSIS S PHASE SERINE/THREONINE-PROTEIN KDBF4-DEPENDENT KINASE DDK ATP-BINDING NUCLEOTIDE-BINDINGBINDING NUCLEUS TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: CRYSTAL STRUCTURE OF HUMAN CDC7 KINASE IN COMPLEX W ACTIVATOR DBF4. NAT.STRUCT.MOL.BIOL. V. 19 1101 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
0SX A:601;
 Valid;
 none;
 submit data
289.717 C14 H12 Cl N3 O2 c1cc2...
ZN B:401;
 Part of Protein;
 none;
 submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4F9C 2.08 Å EC: 2.7.11.1 HUMAN CDC7 KINASE IN COMPLEX WITH DBF4 AND XL413 HOMO SAPIENS SER/THR PROTEIN KINASE TRANSFERASE PHOSPHORYLATION CELL CCELL DIVISION MITOSIS S PHASE SERINE/THREONINE-PROTEIN KDBF4-DEPENDENT KINASE DDK ATP-BINDING NUCLEOTIDE-BINDINGBINDING NUCLEUS TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: CRYSTAL STRUCTURE OF HUMAN CDC7 KINASE IN COMPLEX W ACTIVATOR DBF4. NAT.STRUCT.MOL.BIOL. V. 19 1101 2012
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 117 families.
1 4F99 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 4F9C - 0SX C14 H12 Cl N3 O2 c1cc2c(cc1....
3 4F9B - 0SY C12 H11 N3 O c1cnccc1c2....
4 4F9A - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 91 families.
1 4F99 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 4F9C - 0SX C14 H12 Cl N3 O2 c1cc2c(cc1....
3 4F9B - 0SY C12 H11 N3 O c1cnccc1c2....
4 4F9A - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 60 families.
1 4F99 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 4F9C - 0SX C14 H12 Cl N3 O2 c1cc2c(cc1....
3 4F9B - 0SY C12 H11 N3 O c1cnccc1c2....
4 4F9A - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 0SX; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 0SX 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4F9C; Ligand: 0SX; Similar sites found with APoc: 493
This union binding pocket(no: 1) in the query (biounit: 4f9c.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 2BOS GLA GAL None
2 2BOS GLA GAL GLC None
3 1CKN GTP 2.08333
4 4BNU 9KQ 2.23048
5 2PHN GDP 2.77778
6 3BP1 GUN 2.77778
7 3OF1 CMP 2.84553
8 1E4E ADP 2.91545
9 4K55 H6P 3.22581
10 1IOW PHY 3.3241
11 1IOW ADP 3.3241
12 2QK4 ATP 3.3241
13 1D1T NAD 3.3241
14 1JXZ BCA 3.34572
15 1GSA ADP 3.47222
16 2Z3U CRR 3.47222
17 3IES M24 3.47222
18 5KJW 53C 3.47222
19 1YB5 NAP 3.7037
20 4KM2 ATR 3.91061
21 4NJH 2K8 3.91304
22 4NJH SAM 3.91304
23 2E5A LAQ 4.03458
24 2Q7D ANP 4.04624
25 1SQL GUN 4.10959
26 2HGS ADP 4.15512
27 2PYW ADP 4.16667
28 4UWH JXM 4.16667
29 4NZN 2OU 4.16667
30 4NZN ANP 4.16667
31 5C1P ADP 4.16667
32 2VQ5 HBA 4.16667
33 3PAK MAN 4.16667
34 5C1P DAL DAL 4.16667
35 4FHD EEM 4.16667
36 4FHD 0TT 4.16667
37 5HV0 AKG 4.16667
38 1P6O HPY 4.34783
39 1V0C KNC 4.45545
40 1V0C ACO 4.45545
41 3PFG TLO 4.56274
42 3PFG SAM 4.56274
43 4JWJ SAH 4.70914
44 3PN1 IVH 4.71698
45 4OVZ P85 4.74684
46 5AIG VPR 4.8
47 4GYI ADP 4.86111
48 3I0O ADP 4.86111
49 2VPQ ANP 4.86111
50 3TII ANP 4.86111
51 3ORQ ADP 4.86111
52 5L2R MLA 4.86111
53 4P25 FUC GAL NAG FUC 4.86111
54 2R7K ACP 4.86111
55 2R7K AMZ 4.86111
56 4RDL FUC GAL NDG FUC 4.86111
57 5TH5 MET 4.86111
58 2NU8 COA 4.86111
59 2I0K FAD 4.86111
60 1F52 ADP 4.86111
61 6C90 ADP 4.86111
62 3WO0 ALA 4.98615
63 3WO0 ADP 4.98615
64 3BXO UPP 5.02092
65 4JGP PYR 5.06912
66 3X01 AMP 5.08906
67 4JWH SAH 5.11182
68 4GGZ BTN 5.21739
69 3KA2 2NC 5.41872
70 3FSM 2NC 5.41872
71 3UDZ ADP 5.47667
72 1UVC STE 5.49451
73 3CL7 HYN 5.51948
74 6EOM ALA LYS 5.54017
75 4OCJ NDG 5.55556
76 4OCV ANP 5.55556
77 5AE9 OKO 5.55556
78 2AQX ATP 5.55556
79 4ZGP ADP 5.55556
80 6EZ6 C5Z 5.55556
81 5OES ADP 5.55556
82 1YXM ADE 5.55556
83 3K5I AIR 5.55556
84 1QF9 ALF 5.55556
85 1QF9 ADP 5.55556
86 1QF9 C5P 5.55556
87 4J25 OGA 5.55556
88 2Y88 2ER 5.55556
89 3K5I ADP 5.55556
90 6CGD GNP 5.57377
91 6CGD AKN 5.57377
92 2DTJ THR 5.61798
93 6FL8 TIY 5.74468
94 6FL8 ADP 5.74468
95 5T96 79J 5.81717
96 1VKF CIT 5.81717
97 2YRX AMP 5.81717
98 3TDV GDP 5.88235
99 2GQR ADP 5.90717
100 4K7O EKZ 5.95238
101 3KDM TES 5.9633
102 5ML3 DL3 6.04027
103 6C1S EFV 6.09418
104 2GTF P1R 6.11111
105 5JFS 6K0 6.16883
106 3AB4 THR 6.17978
107 3NW7 LGV 6.18893
108 5YK1 ANP 6.25
109 2VK2 GZL 6.25
110 1JG3 ADN 6.25
111 4WTV ATP 6.25
112 1I06 TZL 6.25
113 4HXY NDP 6.25
114 3E85 BSU 6.25
115 6GNO XDI 6.25
116 5KAX RHQ 6.25
117 4CS9 AMP 6.34921
118 1K3A ACP 6.35452
119 1DZK PRZ 6.36943
120 4CYI ATP 6.37119
121 1UKZ ADP 6.40394
122 1ECM TSA 6.42202
123 4WUP 3UF 6.53846
124 4EWH T77 6.54545
125 3ZJX BOG 6.57439
126 2V58 LZJ 6.6482
127 3DNT ATP 6.6482
128 5DXT 5H5 6.6482
129 4PZ6 GMP 6.6482
130 2QX0 PH2 6.91824
131 2XG5 EC5 6.93642
132 2XG5 EC2 6.93642
133 1TQP ATP 6.94444
134 1W2D 4IP 6.94444
135 1W2D ADP 6.94444
136 4GLW 0XT 6.94444
137 1EHI ADP 6.94444
138 3ZXR P3S 6.94444
139 3ZXR IQ1 6.94444
140 5LRT ADP 6.94444
141 1M0W ANP 6.94444
142 5E2N V14 6.94444
143 4OM8 NAD 6.94444
144 3G08 FEE 7.07071
145 3OCP CMP 7.19424
146 4JWF SAH 7.37327
147 4IRX INS 7.43243
148 4PU5 ANP 7.47922
149 4X3R 686 7.47922
150 3KJS NAP 7.47922
151 3VHE 42Q 7.52089
152 1Z2P ACP 7.63889
153 1Z2P I3S 7.63889
154 3KAL ADP 7.63889
155 1KDK DHT 7.63889
156 4NZ6 DGL 7.63889
157 1OX5 1PR 7.63889
158 4OYA 1VE 7.63889
159 4C5N PXL 7.63889
160 4C5N ACP 7.63889
161 1Q8A HCS 7.63889
162 3PP0 03Q 7.69231
163 2UYN 2KT 7.75194
164 3NRR NAP 7.75623
165 4IX4 ADP 8
166 4P7U 1PS 8.03571
167 5T2Z 017 8.08081
168 5HZ9 5M8 8.14815
169 6GWR FEW 8.25397
170 4U98 ACP 8.33333
171 3WVR AMP 8.33333
172 4MV1 ADP 8.33333
173 3ETH ATP 8.33333
174 3ZS7 ATP 8.33333
175 4Q5M ROC 8.33333
176 4EIL NDP 8.33333
177 4FE2 ADP 8.33333
178 1KJ8 ATP 8.33333
179 1KJ8 GAR 8.33333
180 3BOF HCS 8.33333
181 3LXK MI1 8.56269
182 1FFU FAD 8.58896
183 5MW8 ATP 9.02778
184 4XMF HSM 9.02778
185 2IO8 ADP 9.02778
186 5G48 1FL 9.02778
187 4DOO DAO 9.02778
188 1NJJ GET 9.02778
189 1GPM AMP 9.02778
190 3TTM PUT 9.02778
191 3TM0 B31 9.12547
192 3TM0 ANP 9.12547
193 4XZ3 ACP 9.13043
194 4JLS 3ZE 9.21053
195 6E2B PT7 9.21053
196 4IDT T28 9.26966
197 2GQS C2R 9.2827
198 2GQS ADP 9.2827
199 3HAV ATP 9.36455
200 5FI4 5XV 9.41828
201 3KIF GDL 9.43396
202 4Y93 746 9.69529
203 4R78 AMP 9.72222
204 3EKK GS2 9.72222
205 4CLI 5P8 9.72222
206 5JKG 6LF 9.72222
207 3VPD ANP 9.72222
208 1P19 IMP 9.72222
209 1XVB BHL 9.72222
210 5KBE IPH 9.72222
211 2VT3 ATP 9.72222
212 2X2M X2M 9.87261
213 1U59 STU 10.1045
214 5QIN J2V 10.1266
215 5CKW ANP 10.2493
216 3LQV ADE 10.2564
217 2A19 ANP 10.2857
218 1NU4 MLA 10.3093
219 5HCF BGC 10.3321
220 5EQY 5RA 10.4167
221 1PK8 ATP 10.4167
222 1AUX AGS 10.4167
223 5C4L 4XR 10.4167
224 5C4L SIS 10.4167
225 5VLQ ANP 10.4167
226 2QF7 AGS 10.4167
227 4DFU QUE 10.4167
228 1TZD ADP 10.4167
229 1A99 PUT 10.4167
230 3QWB NDP 10.4167
231 5A5W GUO 10.4167
232 5TT6 ATP 10.4167
233 2BMB PMM 10.5263
234 1U1J MET 10.8033
235 5WNL STU 10.8187
236 4XYM A12 11.0803
237 1I7L ATP 11.1111
238 2PUL ACP 11.1111
239 2IF8 ADP 11.1111
240 5OLK DTP 11.1111
241 3V4S ATP 11.1111
242 3V4S ADP 11.1111
243 4DP3 MMV 11.1111
244 4DP3 NDP 11.1111
245 5FJN FAD 11.1111
246 5FJN BE2 11.1111
247 3VPB ADP 11.8056
248 4AZW ATP 11.8056
249 5MRH Q9Z 11.8056
250 3VPC ADP 11.8056
251 5K2M ADP 11.8056
252 4EN4 GT0 11.8056
253 4EN4 GT1 11.8056
254 4EN4 ATP 11.8056
255 4D9M 0JO 11.8056
256 3X0V FAD 11.8056
257 3K0T BGC 11.8881
258 5I35 ANP 11.9114
259 1ZTH ADP 12.4031
260 1ZP9 ATP 12.4031
261 3BZ3 YAM 12.5
262 5USZ SKE 12.5
263 5DYO FLU 12.5
264 2YW2 ATP 12.5
265 5T8U LPA 12.5
266 2QL9 CIT 12.7168
267 4B1L FRU 12.7273
268 6CI9 NAP 12.7413
269 3VOT ADP 13.1944
270 3RG9 WRA 13.1944
271 3RG9 NDP 13.1944
272 3ZGJ RMN 13.2964
273 4AT3 LTI 13.3779
274 5GZ9 ANP 13.4426
275 4WVO 3UZ 13.8122
276 4ASE AV9 13.881
277 5TDF ADP 13.8889
278 1OBD ATP 13.8889
279 2QLU ADE 14.0127
280 3KMW ATP 14.3911
281 4WW7 AMP 14.4385
282 5DZT AMP 14.5833
283 6DW2 HD4 14.5833
284 4WNK 453 15.2355
285 1IA9 ANP 15.2778
286 6F6D AKG 15.2778
287 3VSV XYS 15.2778
288 5LXT ACP 15.3846
289 5TBM 79A 15.3846
290 1RGE 2GP 15.625
291 4L9I 8PR 15.7895
292 4PNI KQQ 15.7895
293 4AG8 AXI 15.8228
294 5KEW 6SB 15.9574
295 4LH7 1X8 15.9722
296 5IM3 DTP 15.9722
297 4CC6 L5Y 15.9722
298 5VZ0 ADP 16.0665
299 1SWG BTN 16.4062
300 4YMJ 4EJ 16.4474
301 5H2U 1N1 16.6667
302 4O4F IHP 16.6667
303 4O4F ATP 16.6667
304 6CZ3 FLJ 16.6667
305 2ZYI STE 16.6667
306 6ES0 BW8 16.7192
307 4F4P 0SB 16.8975
308 4FL3 ANP 16.8975
309 3W0O ADP 17.4515
310 3W0O HY0 17.4515
311 5CEO 50D 17.6667
312 2H8H H8H 17.7285
313 1Y57 MPZ 17.7285
314 3ALN ANP 17.737
315 3H9R TAK 17.8788
316 2GOO NDG 18.3206
317 5T8O 76Z 18.3381
318 4E93 GUI 18.5596
319 4O1P ANP 18.5596
320 2AGC DAO 18.75
321 5HCY 60D 19.0332
322 5TO8 7FM 19.5035
323 6GIN IR2 19.6013
324 4OAV ACP 19.9446
325 3CF6 SP1 20.1389
326 4XH0 ADP 20.2216
327 4K33 ACP 20.3077
328 4Q5H ANP 20.5128
329 2PVF ACP 20.6587
330 4TWP AXI 20.6642
331 4R38 RBF 20.7143
332 4ZS4 ATP 20.8333
333 3PDT ADP 20.8333
334 5KO1 6UY 20.8481
335 3GQI ACP 20.8589
336 3SXS PP2 20.8955
337 5U6C 7YS 20.9524
338 4BTK DTQ 21.0682
339 4CSV STI 21.0909
340 5VC5 96M 21.1073
341 2BKK ADP 21.3018
342 6E8I PTR 21.3018
343 6GQM F8H 21.3415
344 2OO8 RAJ 21.4511
345 5TA6 79D 21.5084
346 5ZCT ANP 21.5278
347 5UR1 YY9 21.865
348 1OPK P16 21.8837
349 3HMO STU 21.9298
350 3SRV S19 22.0217
351 3G5D 1N1 22.028
352 3RI1 3RH 22.0447
353 2ZL7 FUC GAL NGA 22.2222
354 4FF8 14S 22.9102
355 3FC2 IBI 22.9851
356 3SLS ANP 23.6842
357 4KBA 1QM 23.8671
358 5N87 N66 23.9617
359 4RFM 3P6 24.0602
360 3PVW QRX 24.0997
361 2OFV 242 24.1877
362 2CSN CKI 24.2424
363 2VQD AP2 24.3056
364 1CBK ROI 24.375
365 3LXN MI1 24.8428
366 5LI1 ANP 24.8588
367 4DC2 ADE 24.9307
368 5LI9 ACP 25.1429
369 5OKT 9XK 25.1592
370 3C1X CKK 25.2078
371 4YZC STU 25.2078
372 5AWM ANP 25.7618
373 5EH0 5NW 25.969
374 5C03 AGS 26.0234
375 4OTH DRN 26.0997
376 4GJ3 0XP 26.1589
377 1BYG STU 26.259
378 4P5Z Q7M 26.3158
379 3TXO 07U 26.6289
380 4UX9 ANP 26.8698
381 5JGA 6KC 26.9841
382 3TTI KBI 27.1468
383 4IZY 1J2 27.1468
384 4WHZ 3NL 27.4238
385 3PTG 932 27.4238
386 1IR3 ANP 27.7778
387 3BU5 ATP 27.7778
388 1T36 ADP 27.7778
389 1T36 ORN 27.7778
390 3E7O 35F 27.9778
391 1XJD STU 28.1159
392 5EOB 5QQ 28.2132
393 2JLD AG1 28.2548
394 4NM5 ADP 28.2548
395 3ZRM ZRM 28.2548
396 5FBN 5WF 28.4133
397 1U5R ATP 28.4483
398 2F2U M77 28.5319
399 3IGO ANP 28.5319
400 3VRY B43 28.5319
401 4Y85 499 28.6145
402 4WOV 3SM 28.7066
403 1ZY5 ANP 28.7129
404 3F7Z 34O 29.1429
405 1O9U ADZ 29.1429
406 1CM8 ANP 29.3629
407 3GNI ATP 29.3629
408 5NKB 8ZT 29.4118
409 4UXL 5P8 29.5031
410 4I6H 1C8 29.5455
411 1OUK 084 29.6399
412 4LOO SB4 29.6399
413 3GC8 B45 29.9169
414 5HES 032 29.9674
415 4U0I 0LI 30.1587
416 1VJY 460 30.363
417 3UIM ANP 30.3681
418 3KRL KRL 30.4478
419 2WEL K88 30.581
420 1JPA ANP 30.7692
421 4QMN DB8 30.9677
422 4WB7 ATP 31.0249
423 5LPZ ADP 31.3253
424 2QCS ANP 31.4286
425 3FHI ANP 31.4286
426 3IDB ANP 31.7143
427 1RE8 BD2 31.7143
428 2V7O DRN 31.8452
429 4BHN BH9 32.3353
430 4WB6 ATP 32.5714
431 2GU8 796 32.6409
432 4E1Z 0MX 32.646
433 5MJA 7O3 32.7869
434 2Y6O 1N1 32.9897
435 2XVD AS6 33.1126
436 2VN9 GVD 33.2226
437 3PLS ANP 33.557
438 5WO4 B7V 33.7748
439 3E8N VRA 34.0176
440 3E8N ATP 34.0176
441 2ZV2 609 34.5638
442 2F57 23D 34.7003
443 5LPB ADP 35.1351
444 3HZT J60 35.1801
445 6C7Y ADP 35.6643
446 2WEI VGG 35.8885
447 6CMJ F6J 36.5651
448 6E2O S0L 36.6102
449 4FG8 ATP 37.1191
450 4ONA UW1 37.1191
451 2HK5 1BM 37.4074
452 5DBX ANP 37.8049
453 1PHK ATP 38.255
454 5MY8 RXZ 39.0582
455 5X8I SQZ 39.8844
456 2WU6 DKI 39.8892
457 4QTB 38Z 40.4432
458 6FYV 3NG 40.9496
459 4H3Q ANP 40.9972
460 6FYL 3NG 41.2742
461 6G33 5ID 41.2979
462 6C0T EE4 41.4986
463 5EFQ ADP 41.4986
464 4H3P ANP 41.5512
465 5BVE 4VG 41.5512
466 2B9I ADP 41.6431
467 2B9J ADP 41.6431
468 2B9H ADP 41.6431
469 4CRL C1I 41.8283
470 5ZTN CUR 41.8283
471 6A1G 9OL 42.1053
472 2B9F ADP 42.2096
473 3GC0 AMP 42.2492
474 4NST ADP 42.4501
475 5Y86 HRM 43.2133
476 5UKL SIX 43.5484
477 5EKO N17 44.5983
478 4AU8 Z3R 44.9324
479 3O0G 3O0 45.5479
480 1UNH IXM 45.5479
481 4AUA 4AU 45.6026
482 2BPM 529 45.6311
483 4CFU 2WC 46.5347
484 2VZ6 FEF 46.6454
485 4BCM T7Z 46.8439
486 4BCQ TJF 46.8439
487 4BCN T9N 47
488 6GUE FB8 47.0199
489 2XMY CDK 47.3154
490 5LMK 6ZK 47.4747
491 1V0O INR 48.2639
492 5HQ0 LZ9 48.3444
493 6GU6 1QK 48.3444
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