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Receptor
PDB id Resolution Class Description Source Keywords
4O0R 2.4 Å EC: 2.7.11.1 BACK POCKET FLEXIBILITY PROVIDES GROUP-II PAK SELECTIVITY FO KINASE INHIBITORS HOMO SAPIENS PAK1 TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: BACK POCKET FLEXIBILITY PROVIDES GROUP II P21-ACTIV KINASE (PAK) SELECTIVITY FOR TYPE I 1/2 KINASE INHI J.MED.CHEM. V. 57 1033 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
X4Z A:601;
Valid;
none;
Ki = 0.036 uM
488.608 C25 H28 N8 O S Cc1nc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5DEY 2.1 Å EC: 2.7.11.1 CRYSTAL STRUCTURE OF PAK1 IN COMPLEX WITH AN INHIBITOR COMPO HOMO SAPIENS TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: DESIGN OF SELECTIVE PAK1 INHIBITOR G-5555: IMPROVIN PROPERTIES BY EMPLOYING AN UNORTHODOX LOW-PK A POLA ACS MED.CHEM.LETT. V. 6 1241 2015
Members (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 117 families.
1 4O0R Ki = 0.036 uM X4Z C25 H28 N8 O S Cc1nc2ccsc....
2 3FY0 ic50 = 1090 nM DW1 C23 H13 N3 O4 Ru C1=CC(C=C1....
3 6B16 Ki = 32 nM C7Y C19 H20 N8 C[C@@H](c1....
4 5DFP Ki = 22 nM 59U C28 H32 Cl N7 O CCN1c2c(cn....
5 3FXZ ic50 = 130 nM FLL C30 H18 Cl F N5 O4 Ru c1ccc(cc1)....
6 5IME Ki = 4.6 nM 6BZ C22 H22 Cl N7 O2 CC1=NC=CN(....
7 4ZY6 Ki = 5 nM 4T6 C18 H17 Cl N8 c1cc2c(c(c....
8 3Q53 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
9 4EQC ic50 = 0.008 uM XR1 C29 H28 Cl N7 O S CCN1c2c(cn....
10 4ZJJ Kd = 9.9 nM 4OR C24 H29 Cl F N5 O CCN1c2ccc(....
11 5KBR ic50 = 260 nM IPW C22 H20 Cl N5 O c1cc(ccc1C....
12 4ZLO ic50 = 54 uM 4PV C18 H18 F2 N4 CN1CCN(CC1....
13 4ZJI Kd = 340 nM 4OQ C20 H22 Cl F N4 CCN1c2ccc(....
14 5DEY Ki = 3.7 nM 59T C25 H25 Cl N6 O3 Cc1cccc(n1....
15 3Q4Z - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
16 4ZY5 Ki = 26 nM 4T5 C17 H25 N7 c1cnc(nc1N....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 91 families.
1 4O0R Ki = 0.036 uM X4Z C25 H28 N8 O S Cc1nc2ccsc....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 60 families.
1 5VEF - M77 C14 H17 N3 O2 S c1cc2cnccc....
2 4APP Ki = 0.064 uM N53 C33 H36 N6 O3 CC1(c2c(c(....
3 5VEE ic50 = 779 nM 981 C25 H23 Cl2 F N6 O CCN1c2c(cn....
4 4U8Z - 3FE C17 H15 N5 O c1cc(cc(c1....
5 6CQD - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
6 4O0R Ki = 0.036 uM X4Z C25 H28 N8 O S Cc1nc2ccsc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: X4Z; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 X4Z 1 1
2 7KC 0.495935 0.831169
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5DEY; Ligand: 59T; Similar sites found with APoc: 631
This union binding pocket(no: 1) in the query (biounit: 5dey.bio1) has 52 residues
No: Leader PDB Ligand Sequence Similarity
1 4WVW SLT None
2 4V1F BQ1 None
3 1PTR PRB None
4 5FU3 BGC BGC BGC None
5 5ACM MBT None
6 4IBF 1D5 None
7 3KPE TM3 None
8 3KP6 SAL None
9 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU None
10 3QRC SCR None
11 1FUT 2GP None
12 2P7Q GG6 None
13 4JH6 FCN None
14 3IWD M2T None
15 2D0N PRO SER ILE ASP ARG SER THR LYS PRO None
16 3L1N PLM None
17 5KK4 44E None
18 2UV4 AMP None
19 1X0P FAD None
20 2VPQ ANP 1.3468
21 1OFL NGK GCD 1.3468
22 1OFZ FUC 1.3468
23 1OFZ FUL 1.3468
24 5NLD LBT 1.43885
25 5WGD EST 1.53257
26 5WGQ EST 1.53257
27 5DXE EST 1.53257
28 5DX3 EST 1.53257
29 5DXG EST 1.53257
30 5HYR EST 1.55039
31 2QA8 GEN 1.55039
32 2QZO KN1 1.55039
33 4MG7 27H 1.56863
34 4TUZ 36J 1.56863
35 4MG8 27J 1.56863
36 4MGA 27L 1.56863
37 4MGD 27N 1.56863
38 4MGB XDH 1.56863
39 2DUR MAN MAN 1.58103
40 2BJ4 OHT 1.5873
41 3UUD EST 1.59363
42 4TV1 36M 1.59363
43 5VLQ ANP 1.6835
44 1SDW IYT 1.6835
45 5KJW 53C 1.6835
46 2HGS ADP 1.6835
47 1YKD CMP 1.6835
48 4YGF AZM 1.7094
49 4G86 BNT 1.76056
50 4CSD MFU 1.83824
51 3M3E GAL A2G NPO 1.86335
52 3W5N RAM 2.0202
53 3ORQ ADP 2.0202
54 3WXL ADP 2.0202
55 4RD0 GDP 2.0202
56 3JQ3 ADP 2.0202
57 1YBQ BDH 2.0202
58 3DNT ATP 2.0202
59 1W3T 3GR 2.04082
60 5FIT AP2 2.04082
61 5UMY TNN 2.14286
62 1BC5 ACE ASN TRP GLU THR PHE 2.23048
63 4L4J NAG NAG BMA MAN NAG 2.26244
64 2QES ADE 2.29885
65 2XN5 FUN 2.3569
66 5COU ATP 2.3569
67 5EO8 TFU 2.3569
68 3S6X SIA GAL BGC 2.3569
69 3K5I ADP 2.3569
70 1U6R ADP 2.3569
71 4DK7 0KS 2.42915
72 1RDT L79 2.47934
73 5X80 SAL 2.5
74 1DZK PRZ 2.54777
75 1MZV AMP 2.55319
76 1FM9 9CR 2.57353
77 4M8E 29V 2.5974
78 4POJ 2VP 2.5974
79 5NM7 GLY 2.63158
80 5OCG 9R5 2.6455
81 5GZ9 ANP 2.6936
82 4U98 ACP 2.6936
83 5OES ADP 2.6936
84 3VOT ADP 2.6936
85 4GYI ADP 2.6936
86 5VZ0 ADP 2.6936
87 2PSJ CEI 2.6936
88 5AZC PGT 2.6936
89 4GLW 0XT 2.6936
90 4YVN EBS 2.6936
91 5OSW DIU 2.6936
92 2PNC CLU 2.6936
93 5IM3 DTP 2.6936
94 1CKM GTP 2.6936
95 1E4I NFG 2.6936
96 4DXD 9PC 2.6936
97 1ZTH ADP 2.71318
98 1ZP9 ATP 2.71318
99 4LSJ LSJ 2.71318
100 1M2Z BOG 2.72374
101 2PFC PLM 2.73224
102 6GBV FMN 2.73973
103 3BQD DAY 2.7451
104 4E2J MOF 2.8
105 6FA4 D1W 2.89017
106 4R78 AMP 3.0303
107 3UDZ ADP 3.0303
108 1EHI ADP 3.0303
109 5OLK DTP 3.0303
110 3KLL MAL 3.0303
111 6FL8 TIY 3.0303
112 6FL8 ADP 3.0303
113 5F7J ADE 3.0303
114 3DRW AMP 3.0303
115 4Q0A 4OA 3.0303
116 3GFZ FMN 3.0303
117 2I6A 5I5 3.0303
118 1TT8 PHB 3.04878
119 6BMN PAP 3.05085
120 6A5Y 9CR 3.07018
121 2G30 ALA ALA PHE 3.10078
122 5HCV 60R 3.11284
123 3KU0 ADE 3.18725
124 2GC0 PAN 3.19149
125 3WBD SIA SIA SIA SIA SIA SIA SIA 3.25203
126 1QIN GIP 3.27869
127 5YW5 ADE 3.35196
128 1AUX AGS 3.367
129 3PN1 IVH 3.367
130 3RFA SAM 3.367
131 1PK8 ATP 3.367
132 2WH8 II2 3.367
133 4CC6 L5Y 3.367
134 1TV5 N8E 3.367
135 2Q7D ANP 3.367
136 5MWY YNU 3.367
137 5L7G 6QE 3.367
138 3B4Y F42 3.367
139 2GQR ADP 3.37553
140 4HIA FMN 3.40909
141 4P7X AKG 3.42466
142 4P7X YCP 3.42466
143 2FUE M1P 3.43511
144 3NZ1 3NY 3.44828
145 1S9D AFB 3.44828
146 5JBX COA 3.44828
147 1QY1 PRZ 3.44828
148 6ACS CIT 3.48837
149 5GLT BGC GAL NAG GAL 3.52113
150 1QPR PPC 3.52113
151 2BKK ADP 3.5503
152 4RT1 C2E 3.57143
153 2RDE C2E 3.58566
154 3QH2 3NM 3.61991
155 2YIP YIO 3.62319
156 3W21 AKG 3.663
157 4OCV ANP 3.69393
158 3HAV ATP 3.7037
159 1GSA ADP 3.7037
160 2QK4 ATP 3.7037
161 4UWH JXM 3.7037
162 5C1P ADP 3.7037
163 6E1Q CFA 3.7037
164 6EZ6 C5Z 3.7037
165 5AE9 OKO 3.7037
166 5MRH Q9Z 3.7037
167 5FI4 5XV 3.7037
168 2GJ5 VD3 3.7037
169 5DXT 5H5 3.7037
170 1NKI PPF 3.7037
171 5FPN KYD 3.7037
172 1OKE BOG 3.7037
173 6A5K SAM 3.7037
174 1Q6O LG6 3.7037
175 3THR C2F 3.75427
176 2AQX ATP 3.80623
177 2BHW NEX 3.87931
178 2A3I C0R 3.95257
179 3KYG 5GP 5GP 3.96476
180 2W5P CL8 4.02685
181 4K55 H6P 4.03226
182 2PYW ADP 4.0404
183 5VNF VAL THR SER VAL VAL 4.0404
184 5YJS SAL 4.0404
185 6C1S EFV 4.0404
186 2YRX AMP 4.0404
187 3V4S ATP 4.0404
188 2Z3U CRR 4.0404
189 5O9W AKG 4.0404
190 3CBC DBS 4.0404
191 2R0D 4IP 4.0404
192 4CJN QNZ 4.0404
193 2R09 4IP 4.0404
194 6BR9 6OU 4.0404
195 6DIO CIT 4.0404
196 4RW3 TDA 4.0404
197 4RW3 IPD 4.0404
198 2HHP FLC 4.0404
199 5TT6 ATP 4.0404
200 4ZU4 4TG 4.05405
201 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 4.08163
202 4OR7 25U 4.24242
203 1QXA GLY GLY GLY 4.25532
204 1NHZ 486 4.28571
205 4P6X HCY 4.31373
206 3NV3 GAL NAG MAN 4.34783
207 1NF8 BOG 4.34783
208 1TZD ADP 4.36364
209 6BR8 6OU 4.36508
210 6BR8 PGV 4.36508
211 3SAO DBH 4.375
212 3SAO NKN 4.375
213 5HV7 RBL 4.3771
214 3TDV GDP 4.3771
215 4CYI ATP 4.3771
216 1I7L ATP 4.3771
217 5MW8 ATP 4.3771
218 2IO8 ADP 4.3771
219 3B99 U51 4.3771
220 2OJW ADP 4.3771
221 3ZZH NLG 4.3771
222 4KVL PLM 4.3771
223 5C5T AKG 4.38596
224 2D6M LBT 4.40252
225 3T4L ZEA 4.44444
226 6GNO XDI 4.44444
227 1W2D ADP 4.5283
228 1W2D 4IP 4.5283
229 6GR0 F8W 4.5977
230 5D48 L96 4.60526
231 5ZCT ANP 4.7138
232 2VQD AP2 4.7138
233 4URX FK1 4.7138
234 2WKQ FMN 4.7138
235 5MBC FMN 4.7138
236 6HSP COA 4.7138
237 4D52 GXL 4.7138
238 5C3R AKG 4.7138
239 5C3R HMU 4.7138
240 4K39 SAM 4.7138
241 4UMJ BFQ 4.72973
242 4CS9 AMP 4.7619
243 4WUJ FMN 4.7619
244 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 4.78261
245 1TW4 CHD 4.8
246 1V9T SIN ALA PRO ALA NIT 4.81928
247 2BCG GER 4.85437
248 1UI0 URA 4.87805
249 1NQ7 ARL 4.91803
250 1YRX FMN 4.95868
251 6FS0 E4W 5.03145
252 2E27 AB0 5.04202
253 2PUL ACP 5.05051
254 4MRP GSH 5.05051
255 4FFG 0U8 5.05051
256 4PPF FLC 5.05051
257 3UDG TMP 5.05051
258 1WDK NAD 5.05051
259 5XQW 8EU 5.06912
260 3OYW TDG 5.22388
261 5EJL C2E 5.24194
262 6E2B PT7 5.26316
263 4IAW LIZ 5.31915
264 6CB2 OLC 5.38721
265 5LUN OGA 5.38721
266 6CGD GNP 5.38721
267 6CGD AKN 5.38721
268 3WV6 GAL BGC 5.40541
269 3WV6 GAL GLC 5.40541
270 3ACL 3F1 5.40541
271 5TVI MYR 5.43478
272 1EB1 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 5.44747
273 3T50 FMN 5.46875
274 5NC1 NAG 5.48523
275 2BS5 BGC GAL FUC 5.55556
276 6F7X MFU 5.55556
277 2Q1H AS4 5.6
278 2XCM ADP 5.60748
279 4IPH 1FJ 5.69106
280 1RDS GPC 5.71429
281 1F9V ADP 5.72391
282 5W1E PHB 5.72391
283 5KBF CMP 5.72391
284 2Q8G AZX 5.72391
285 5W3Y ACO 5.72391
286 3G1Z AMP 5.72391
287 5F6U 5VK 5.73248
288 1UMZ BGC BGC XYS BGC XYS GAL 5.7554
289 4H2X G5A 5.82524
290 5SVV FMN 5.83942
291 3ZJX BOG 5.88235
292 4YLZ LAT NAG GAL 5.88235
293 4LI4 AMP 5.88235
294 3EXS 5RP 5.88235
295 1YYE 196 5.97015
296 3U3U EAH 6.00858
297 1NXJ TLA 6.01093
298 4O4F ATP 6.04839
299 4O4F IHP 6.04839
300 5LX9 OLB 6.06061
301 4RDL FUC GAL NDG FUC 6.06061
302 4DFU QUE 6.06061
303 5C4L 4XR 6.06061
304 1T36 ADP 6.06061
305 5C4L SIS 6.06061
306 4B0T ADP 6.06061
307 6FOF LAT 6.12245
308 3DGY 2GP 6.18557
309 1NU4 MLA 6.18557
310 4OAR 2S0 6.20155
311 4V3I ASP LEU THR ARG PRO 6.22568
312 3VV1 GAL FUC 6.25
313 1RGE 2GP 6.25
314 2GQS ADP 6.32911
315 3F8C HT1 6.34921
316 2YG2 S1P 6.39535
317 5INJ 6C7 6.39731
318 4RF7 ARG 6.39731
319 1VRP ADP 6.39731
320 3TY5 ATP 6.39731
321 4QAC KK3 6.45161
322 1Y2F WAI 6.47482
323 4XYM A12 6.52174
324 4XZ3 ACP 6.52174
325 1C1L GAL BGC 6.56934
326 1U3R 338 6.639
327 1ZM1 BGC BGC BGC 6.639
328 3OLL EST 6.66667
329 4J24 EST 6.66667
330 4J26 EST 6.66667
331 2YJD YJD 6.66667
332 3WVR AMP 6.71141
333 5I35 ANP 6.73401
334 2FB3 MET 6.73401
335 1E4E ADP 6.73401
336 1FDJ 13P 6.73401
337 1IA9 ANP 6.78571
338 5NFB 8VT 6.81818
339 2PR5 FMN 6.81818
340 1MDC PLM 6.81818
341 1QFT HSM 6.85714
342 2ZMF CMP 6.87831
343 2CB8 MYA 6.89655
344 1SU2 ATP 6.91824
345 3LQV ADE 6.95652
346 4FE2 ADP 7.05882
347 4FE2 AIR 7.05882
348 3RGA LSB 7.06714
349 4ZS4 ATP 7.07071
350 3W0O ADP 7.07071
351 3W0O HY0 7.07071
352 1XVB 3BR 7.07071
353 6D28 NEC 7.07071
354 1KGI T4A 7.08661
355 3VPB ADP 7.0922
356 3VPC ADP 7.0922
357 4JLS 3ZE 7.23684
358 3N7S 3N7 7.29167
359 5VM6 9EG 7.29927
360 3KYF 5GP 5GP 7.35931
361 1GU3 BGC BGC BGC BGC BGC 7.38255
362 1M0W ANP 7.40741
363 1GQG DCD 7.40741
364 1LSH PLD 7.40741
365 4P25 FUC GAL NAG FUC 7.40741
366 4PU5 ANP 7.40741
367 1TQP ATP 7.44681
368 2QX0 PH2 7.54717
369 5H9P TD2 7.59494
370 3PDT ADP 7.63636
371 3MBI HSX 7.66551
372 5H9Q TD2 7.74194
373 3OPT AKG 7.74411
374 2VL8 UDP 7.74411
375 4WOE ADP 7.74411
376 3FAL REA 7.89474
377 1MT1 AG2 7.9646
378 4NG2 OHN 7.9646
379 3RY9 1CA 8
380 5DZT AMP 8.08081
381 6F5U CQN 8.08081
382 5Y4R C2E 8.27586
383 5LWY OLB 8.40336
384 5UGH 8AJ 8.41751
385 5H9Y BGC BGC BGC BGC 8.41751
386 4Y24 TD2 8.44156
387 1V3S ATP 8.62069
388 2QL9 CIT 8.67052
389 5ODY 9SK 8.69565
390 4IX4 ADP 8.75421
391 5J75 6GQ 8.75421
392 4GCZ FMN 8.75421
393 5U7W ADE 8.75421
394 5X7Q GLC GLC GLC GLC GLC 8.75421
395 5X7Q GLC GLC GLC GLC 8.75421
396 2ZL7 FUC GAL NGA 8.81356
397 4O9S 2RY 8.83721
398 3KCC CMP 8.84615
399 3KO0 TFP 8.91089
400 3WG3 A2G GAL NAG FUC 8.98876
401 3ZXE PGZ 9.02256
402 4ZU5 THM 9.02778
403 4RYV ZEA 9.03226
404 5TDF ADP 9.09091
405 5K2M ADP 9.15751
406 2XG5 EC2 9.17431
407 2XG5 EC5 9.17431
408 4WW7 AMP 9.1954
409 1NWW HPN 9.39597
410 3AIH BMA MAN MAN 9.67742
411 1G51 AMP 9.76431
412 1Y7P RIP 9.86547
413 4M1U A2G MBG 10
414 2WOR 2AN 10
415 1WW5 SGA BGC 10
416 2YW2 ATP 10.101
417 1NY5 ADP 10.101
418 4XMF HSM 10.3261
419 3ZW2 GLA NAG GAL FUC 10.3448
420 3ZW2 GAL FUC 10.3448
421 3ZW2 NAG GAL FUC 10.3448
422 2Q8E OGA 10.4377
423 2OS2 OGA 10.4377
424 2YBP 2HG 10.4377
425 2P5B OGA 10.4377
426 5XLY C2E 10.5263
427 1I82 BGC BGC 10.582
428 4R38 RBF 10.7143
429 5YK1 ANP 10.7744
430 1OBD ATP 10.7744
431 5XJ7 87O 10.9453
432 4N9I PCG 10.9524
433 5N18 8HZ 11.0092
434 4AZW ATP 11.1111
435 3B6R CRN 11.1111
436 3B6R ADP 11.1111
437 6DZN AE3 11.2676
438 1YC4 43P 11.3636
439 2V77 PAY 11.4478
440 1N5S ADL 11.6071
441 3O2K DST 11.7845
442 5DYO FLU 11.9266
443 3P7N FMN 12.0155
444 4RJD TFP 12.1212
445 5KEW 6SB 12.5
446 5UC4 83S 12.7273
447 2D5X L35 12.766
448 3TII ANP 12.7946
449 1N9L FMN 12.844
450 5LDQ NAP 12.9944
451 5L2R MLA 13.1313
452 1J3R 6PG 13.1579
453 3VPD ANP 13.1673
454 1GT4 UNA 13.2075
455 4OCT AKG 13.5135
456 5XJD 87L 13.6364
457 3I0O ADP 13.8047
458 3X01 AMP 13.8047
459 3H0L ADP 13.8298
460 1QKQ MAN 14.0845
461 5LXT ACP 14.6853
462 6FX0 E9T 15.1515
463 4AZ3 S35 15.4839
464 5M36 9SZ 15.7895
465 2IF8 ADP 15.8249
466 6EHH 2GE 15.9091
467 1FHX 4IP 16.2791
468 5B09 4MX 16.3462
469 3I8T LBT 16.4634
470 5CKW ANP 16.835
471 1VBH PEP 16.835
472 2V0U FMN 17.1233
473 4OGQ 7PH 17.2414
474 4Z4P SAH 18.0723
475 4CU1 71S 18.8552
476 1HBK MYR 19.1011
477 5TBM 79A 19.1304
478 5DKK FMN 20
479 4O1P ANP 20.8754
480 4OAV ACP 21.2121
481 1FCZ 156 22.5532
482 4TVD BGC 22.5589
483 4DM8 REA 23.5955
484 5OKT 9XK 24.5791
485 5EFW FMN 24.8276
486 5DJT FMN 24.8276
487 5DJU FMN 24.8276
488 5C03 AGS 26.5993
489 4WOV 3SM 26.936
490 1DKF BMS 28.0851
491 3KMW ATP 28.4133
492 5LJB RTL 28.8889
493 4KBA 1QM 29.3051
494 5ZCO PGV 30.5085
495 2DYR PGV 30.5085
496 4XH0 ADP 30.9764
497 3UIM ANP 30.9764
498 4Q5H ANP 31.0345
499 6GIN IR2 31.3131
500 3H9R TAK 31.6498
501 4BTK DTQ 31.6498
502 2QLU ADE 31.9865
503 2CSN CKI 31.9865
504 4DC2 ADE 32.6599
505 5LI9 ACP 32.6599
506 5X8I SQZ 32.6599
507 5LI1 ANP 32.6599
508 6G33 5ID 32.6599
509 4CRL C1I 32.6599
510 2WU6 DKI 32.6599
511 1DTL BEP 32.9193
512 6FYL 3NG 33.3333
513 1VJY 460 33.3333
514 6FYV 3NG 33.67
515 5KO1 6UY 33.9223
516 6A1G 9OL 34.0067
517 5LPZ ADP 34.3434
518 5LPB ADP 34.4595
519 6C7Y ADP 34.6154
520 4FL3 ANP 34.6801
521 2A19 ANP 34.8592
522 4WNK 453 35.0168
523 5T8O 76Z 35.0168
524 5QIN J2V 35.3535
525 3WUC GLC GAL 36.4963
526 3PTG 932 36.7003
527 4WHZ 3NL 36.7003
528 6ES0 BW8 36.7003
529 4E93 GUI 37.3737
530 3SRV S19 37.5451
531 4H3P ANP 37.7104
532 4H3Q ANP 37.7104
533 5BVE 4VG 37.7104
534 5USZ SKE 38.0623
535 5UKL SIX 38.7205
536 3PVW QRX 38.7205
537 1K3A ACP 39.3939
538 3BU5 ATP 39.7306
539 1WS4 GYP 40
540 1WS5 MMA 40
541 1IR3 ANP 40.0673
542 3ZRM ZRM 40.0673
543 5WNL STU 40.0673
544 3F7Z 34O 40.404
545 2JLD AG1 40.404
546 6C0T EE4 40.404
547 4NM5 ADP 40.404
548 1O9U ADZ 40.7407
549 5H2U 1N1 40.824
550 4IDT T28 41.0774
551 4OTH DRN 41.0774
552 3TXO 07U 41.4141
553 4L9I 8PR 41.7508
554 4PNI KQQ 41.7508
555 5JGA 6KC 42.0875
556 3PP0 03Q 42.0875
557 3GC0 AMP 42.4242
558 4Y85 499 42.4242
559 1XJD STU 42.4242
560 5VC5 96M 42.5606
561 3GQI ACP 43.0976
562 3FC2 IBI 43.0976
563 3IDB ANP 43.0976
564 2QCS ANP 43.0976
565 2GU8 796 43.0976
566 3FHI ANP 43.0976
567 1RE8 BD2 43.0976
568 5TA6 79D 43.0976
569 5N87 N66 43.4343
570 4I6H 1C8 43.771
571 3HMO STU 43.771
572 1OUK 084 44.1077
573 4LOO SB4 44.1077
574 3HZT J60 44.1077
575 2WEI VGG 44.5993
576 1ZY5 ANP 44.7811
577 4QTB 38Z 44.7811
578 4NST ADP 44.7811
579 5ZTN CUR 44.7811
580 4WB6 ATP 44.7811
581 5Y86 HRM 45.1178
582 2B9H ADP 45.1178
583 2B9I ADP 45.1178
584 2B9J ADP 45.1178
585 4WB7 ATP 45.1178
586 3IGO ANP 45.1178
587 4AU8 Z3R 45.2703
588 2V7O DRN 45.4545
589 6GU6 1QK 45.4545
590 5HQ0 LZ9 45.4545
591 5EFQ ADP 45.4545
592 2B9F ADP 45.4545
593 4ONA UW1 45.4545
594 4YZC STU 45.7912
595 3E8N VRA 45.7912
596 3E8N ATP 45.7912
597 1UNH IXM 45.8904
598 3O0G 3O0 45.8904
599 2PVF ACP 46.1279
600 1CM8 ANP 46.1279
601 3E7O 35F 46.4646
602 4UX9 ANP 46.4646
603 3ALN ANP 46.4646
604 2WEL K88 46.8013
605 2VN9 GVD 46.8013
606 2F2U M77 46.8013
607 2VZ6 FEF 46.8013
608 5AWM ANP 46.8013
609 3TTI KBI 46.8013
610 4IZY 1J2 47.138
611 5MY8 RXZ 47.138
612 3GC8 B45 47.4747
613 3GNI ATP 47.4747
614 6E2O S0L 47.7966
615 4FG8 ATP 47.8114
616 5EKO N17 47.8114
617 4AUA 4AU 48.1481
618 1PHK ATP 48.4848
619 1V0O INR 48.6111
620 4BHN BH9 48.8215
621 4BCM T7Z 49.1582
622 4BCQ TJF 49.1582
623 4BCN T9N 49.1582
624 6GUE FB8 49.1582
625 4CFU 2WC 49.1582
626 6CMJ F6J 49.1582
627 5LMK 6ZK 49.1582
628 2XMY CDK 49.1582
629 2BPM 529 49.1582
630 5EH0 5NW 49.2248
631 2ZV2 609 49.4949
Pocket No.: 2; Query (leader) PDB : 5DEY; Ligand: 59T; Similar sites found with APoc: 146
This union binding pocket(no: 2) in the query (biounit: 5dey.bio2) has 41 residues
No: Leader PDB Ligand Sequence Similarity
1 4WG0 CHD None
2 4AF5 CIT None
3 2HPL ASP ASP LEU TYR GLY None
4 4JGX PLM None
5 1U0A BGC BGC BGC BGC 0.934579
6 1TIQ COA 1.11111
7 5XQL C2E 1.37457
8 1NE6 SP1 1.41343
9 4NS0 PIO 1.50376
10 5DCH 1YO 1.5625
11 3UUA 0CZ 1.59363
12 1IGW PYR 1.6835
13 6E8I PTR 1.77515
14 4XCB AKG 1.91571
15 6GW4 CHO 2.0202
16 3FSY SCA 2.0202
17 5XEG AKG 2.1645
18 5NBW 8SK 2.33645
19 3JU6 ANP 2.3569
20 5B25 4QJ 2.3569
21 1U6R IOM 2.3569
22 5T96 79J 2.3569
23 1QB7 ADE 2.54237
24 3PNA CMP 2.5974
25 1ULE GLA GAL NAG 2.66667
26 2CFM AMP 2.6936
27 4PZ6 GMP 2.6936
28 4XNV BUR 2.6936
29 1CKN GTP 2.6936
30 4Y1P IPM 2.6936
31 2O1O RIS 2.6936
32 1ELI PYC 2.6936
33 1M2Z DEX 2.72374
34 4NPL AKG 2.8
35 3GN8 DEX 2.81124
36 6EWZ APC 2.95359
37 1IS3 LAT 2.96296
38 2YN4 39J 2.9661
39 4BG4 ADP 3.0303
40 4DE3 DN8 3.04183
41 4DE2 DN3 3.04183
42 2HKA C3S 3.07692
43 3BP1 GUN 3.10345
44 3SP6 IL2 3.15789
45 2WD7 VGD 3.35821
46 2WR1 NAG 3.367
47 5G48 1FL 3.367
48 1U1J MET 3.367
49 3SQP 3J8 3.367
50 1YRO UDP 3.4965
51 5O2D 9HH 3.5
52 4MYD 164 3.57143
53 4LIT AKG 3.7037
54 2BGM MAX 3.7037
55 2KIN ADP 3.78151
56 5ICK FEZ 3.93013
57 4BTV RB3 4.0404
58 6FK6 DOK 4.0404
59 3TW1 AHN 4.21941
60 2CDO GAL AAL GAL AAL GAL AAL 4.375
61 3RMK BML 4.3771
62 3ETH ATP 4.3771
63 3A51 VDY 4.3771
64 1OJK GLC BGC 4.3771
65 1OJJ GLC GAL 4.3771
66 1TUV VK3 4.38596
67 2WQ4 SFU 4.48718
68 4YEF 4CQ 4.49438
69 5D1R 56S 4.60251
70 1B4P GPS 4.60829
71 1N4H REA 4.6332
72 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 4.7138
73 3GLC R5P 4.74576
74 1VKF CIT 4.78723
75 1XF1 CIT 5.05051
76 3GXO MQA 5.05051
77 1LVW TYD 5.08475
78 4IMO PWZ 5.11364
79 5T7I LAT NAG GAL 5.16129
80 5C79 PBU 5.33333
81 2XOC ADP 5.36398
82 5HWV MBN 5.38462
83 5EQY 5RA 5.38721
84 3SUC ATP 5.38721
85 3CF6 SP1 5.38721
86 2Q4X HMH 5.42986
87 2F2G HMH 5.42986
88 1SQL GUN 5.47945
89 3DWQ NGC GAL NGA POL AZI 5.55556
90 4RI6 GSH 5.5814
91 3AB4 THR 5.61798
92 4H6B 10X 5.64103
93 3QM1 ZYC 5.66038
94 2J0B UDP 5.71429
95 3TDC 0EU 5.72391
96 6EOM ALA LYS 5.72391
97 3NB0 G6P 5.72391
98 1H2K OGA 5.72391
99 5L9V OGA 5.95238
100 3QSB 743 6.06061
101 3SHR CMP 6.06061
102 2GWH PCI 6.06061
103 5W75 SUC 6.06061
104 3SJK LYS PRO VAL LEU ARG THR ALA 6.31579
105 5X3R 7Y3 6.34146
106 3ZO7 K6H 6.38298
107 6GVZ CHO 6.39731
108 1VRP IOM 6.39731
109 1FX8 BOG 6.40569
110 4DYG MES 6.55738
111 2OVW CBI 7.07071
112 1H8S AIC 7.14286
113 5AIG VPR 7.2
114 2GTF P1R 7.22222
115 1H2M OGA 7.69231
116 4ZGP ADP 7.74411
117 4A38 BZS 7.74411
118 2YVE MBT 8.10811
119 2BD0 BIO 8.19672
120 2B6N ALA PRO THR 8.27338
121 2BVE PH5 8.40336
122 1QH9 LAC 9.05172
123 4MJ0 SIA SIA GAL 9.09091
124 2BMB PMM 9.42761
125 5B0I BOG 9.62099
126 1V59 NAD 9.62343
127 5C8W PCG 9.79021
128 6A63 LAT 10.8696
129 1MID LAP 10.989
130 1LNX URI 11.1111
131 1MJT ITU 11.1111
132 3GFS FMN 12.6437
133 1T0S BML 12.7907
134 1RV1 IMZ 12.9412
135 3OCP CMP 12.9496
136 4KAX 4IP 13.0435
137 5OCA 9QZ 14.8148
138 5KWY C3S 15.0376
139 5N26 73M 15.9341
140 5N26 CPT 15.9341
141 1BHX ASP PHE GLU GLU ILE 17.1429
142 4OGQ UMQ 17.2414
143 4ZTD ALA GLY ALA GLY ALA 17.3913
144 5N8V KZZ 18.8406
145 4URN NOV 19.5556
146 1CBK ROI 21.875
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