Receptor
PDB id Resolution Class Description Source Keywords
4DC2 2.4 Å EC: 2.7.11.13 STRUCTURE OF PKC IN COMPLEX WITH A SUBSTRATE PEPTIDE FROM PA MUS MUSCULUS KINASE SUBSTRATE CELL POLARITY PAR-3 ATYPICAL PKC TRANSTRANSFERASE SUBSTRATE COMPLEX
Ref.: SUBSTRATE RECOGNITION MECHANISM OF ATYPICAL PROTEIN CS REVEALED BY THE STRUCTURE OF PKC IOTA IN COMPLEX SUBSTRATE PEPTIDE FROM PAR-3 STRUCTURE V. 20 791 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADE A:601;
Valid;
none;
submit data
135.127 C5 H5 N5 c1[nH...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4DC2 2.4 Å EC: 2.7.11.13 STRUCTURE OF PKC IN COMPLEX WITH A SUBSTRATE PEPTIDE FROM PA MUS MUSCULUS KINASE SUBSTRATE CELL POLARITY PAR-3 ATYPICAL PKC TRANSTRANSFERASE SUBSTRATE COMPLEX
Ref.: SUBSTRATE RECOGNITION MECHANISM OF ATYPICAL PROTEIN CS REVEALED BY THE STRUCTURE OF PKC IOTA IN COMPLEX SUBSTRATE PEPTIDE FROM PAR-3 STRUCTURE V. 20 791 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 4DC2 - ADE C5 H5 N5 c1[nH]c2c(....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 5LI1 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
2 4DC2 - ADE C5 H5 N5 c1[nH]c2c(....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5LI1 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
2 4DC2 - ADE C5 H5 N5 c1[nH]c2c(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ADE; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 ADE 1 1
2 PM6 0.5 0.742857
3 ES4 0.463415 0.685714
4 6AP 0.428571 0.9375
5 XQG 0.422222 0.648649
6 M02 0.411765 0.630435
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4DC2; Ligand: ADE; Similar sites found: 299
This union binding pocket(no: 1) in the query (biounit: 4dc2.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2PYW ADP 0.0000006471 0.46582 1.51515
2 4RDL FUC GAL NDG FUC 0.003794 0.41419 1.94805
3 2CFM AMP 0.0004237 0.43015 2.0202
4 3X01 AMP 0.0001411 0.47938 2.03562
5 3UDZ ADP 0.000003233 0.44805 2.27273
6 3T1A 5MA 0.0108 0.42304 2.27273
7 5USZ SKE 0.000000314 0.42901 2.42215
8 4LH7 1X8 0.0005891 0.4544 2.47678
9 4TM3 FAD 0.01504 0.45743 2.52525
10 4R78 AMP 0.0002181 0.45103 2.52525
11 1Q3Q ANP 0.008727 0.43388 2.52525
12 4ZS4 ATP 0.000157 0.40553 2.60586
13 3RE4 TO1 0.0000003307 0.546 2.71318
14 2Z49 AMG 0.007815 0.40894 2.77778
15 2YY7 NAD 0.04704 0.40442 2.88462
16 3PDT ADP 0.0006178 0.40617 2.90909
17 3VOT ADP 0.0004701 0.47328 3.0303
18 2YRX AMP 0.001547 0.43245 3.0303
19 1AUX AGS 0.00005571 0.43087 3.0303
20 1IA9 ANP 0.0002037 0.40377 3.21429
21 2YW2 ATP 0.0001747 0.40422 3.28283
22 2QK4 ATP 0.0001631 0.49569 3.31858
23 5C4L 4XR 0.001716 0.47482 3.42679
24 5C4L SIS 0.00863 0.4419 3.42679
25 4CYI ATP 0.00000001395 0.50357 3.53535
26 2PUL ACP 0.000002417 0.47473 3.78788
27 1GSA ADP 0.00001145 0.42023 3.79747
28 1A59 COA 0.009472 0.42634 3.96825
29 3GRU AMP 0.0281 0.40347 4.0678
30 2GQS ADP 0.0004603 0.40291 4.21941
31 4CNG SAH 0.03561 0.40284 4.31373
32 1CBK ROI 0.002245 0.43507 4.375
33 2QX0 PH2 0.0008788 0.44151 4.40252
34 2IF8 ADP 0.0000778 0.47919 4.6832
35 4CS9 AMP 0.002649 0.41329 4.7619
36 4PZ6 GMP 0.001258 0.44362 5.05051
37 3AD8 NAD 0.04476 0.40373 5.05051
38 2BKK ADP 0.001273 0.45697 5.32544
39 1ZTH ADP 0.000002038 0.51543 5.42636
40 1ZP9 ATP 0.000001649 0.49119 5.42636
41 3AKK ADP 0.0007346 0.48 5.53846
42 5MW8 ATP 0.00001847 0.41145 5.55556
43 1PNO NAP 0.04691 0.40205 5.55556
44 3WVR AMP 0.0001681 0.42988 5.80808
45 5VLQ ANP 0.0008015 0.41681 6.06061
46 4TXJ THM 0.04796 0.40226 6.41892
47 5C1P ADP 0.0001268 0.44125 6.53595
48 1TZD ADP 0.00008038 0.50913 6.54545
49 3VPC ADP 0.00002113 0.42017 6.73759
50 4CC6 L5Y 0.001299 0.41971 6.91824
51 3I0O ADP 0.0001319 0.44883 7.07965
52 4LRJ ANP 0.00002664 0.44659 7.10059
53 4IX4 ADP 0.0001827 0.5132 7.14286
54 2FB3 GTP 0.01757 0.42712 7.14286
55 2FB3 5AD 0.009455 0.42271 7.14286
56 2FB3 MET 0.01049 0.4186 7.14286
57 1S68 AMP 0.003218 0.42908 7.22892
58 3KCC CMP 0.02292 0.40256 7.30769
59 4PVD NDP 0.03498 0.40764 7.30994
60 5COU ATP 0.0006488 0.47776 7.35294
61 4JGP PYR 0.009424 0.40427 7.37327
62 1H9G COA MYR 0.03865 0.40098 7.57576
63 5C8W PCG 0.004396 0.42932 7.69231
64 4GLW 0XT 0.002458 0.40816 7.86885
65 5JNN 6LM 0.03049 0.40274 7.89474
66 3VPB ADP 0.000009442 0.40822 8.92857
67 5IQD GNP 0.007712 0.44928 9.5082
68 5IQD RIO 0.008058 0.44928 9.5082
69 5CKW ANP 0.000007446 0.49529 10.4213
70 1W2D ADP 0.0001257 0.44999 10.566
71 4GYI ADP 0.00002694 0.46529 10.7143
72 1NKI PPF 0.01251 0.40336 11.1111
73 3Q60 ATP 0.00003517 0.44235 12.3989
74 4O1P ANP 0.0000002193 0.49646 13.6364
75 4AZT LY2 0.0003553 0.4301 13.6364
76 5HP8 PYR 0.004467 0.41656 13.7097
77 4G17 0VN 0.00000008542 0.68283 13.9394
78 5DMZ ADP 0.0000007576 0.48097 13.9726
79 4BKJ STI 0.00002615 0.40183 14.6032
80 4XH0 ADP 0.00000007842 0.63152 14.899
81 1P6O HPY 0.001784 0.4445 14.9068
82 3LQV ADE 0.003779 0.41896 15.3846
83 3VHE 42Q 0.0000000287 0.43398 15.5989
84 1VJY 460 0.0000001129 0.41033 16.5016
85 4IJP 1EH 0.000000346 0.65925 16.7598
86 3BP1 GUN 0.001301 0.44821 16.8966
87 4NFN 2KC 0.000002127 0.47768 17.7994
88 4Q5H ANP 0.0002432 0.40334 17.8161
89 2RCU BUJ 0.02127 0.44028 17.8571
90 4I53 1C1 0.01525 0.41488 17.8571
91 2WTX VDO 0.03387 0.40983 17.8571
92 2WTX UDP 0.03971 0.40249 17.8571
93 2QLU ADE 0.000001317 0.59769 18.1529
94 3KMW ATP 0.0006068 0.40174 18.4343
95 5KO1 6UY 0.000000257 0.50446 19.788
96 2CSN CKI 0.0000001885 0.43306 20.202
97 5HX8 66P 0.0000001466 0.44415 21.1921
98 4UX9 ANP 0.000000009933 0.51471 21.4286
99 4OAV ACP 0.0000003281 0.50537 21.4286
100 1IOW PHY 0.001017 0.49298 21.4286
101 1M0W ANP 0.0006918 0.47472 21.4286
102 5VZ0 ADP 0.00003 0.44443 21.4286
103 3TII ANP 0.0002787 0.43622 21.4286
104 5DZT AMP 0.001342 0.43344 21.4286
105 1CM8 ANP 0.000000285 0.5096 22.0708
106 4KBA 1QM 0.0000005003 0.42367 22.3565
107 5W4W 9WG 0.000001271 0.40246 22.3565
108 3HAV ATP 0.0003563 0.45987 22.4747
109 4FL3 ANP 0.00000004151 0.48129 22.9798
110 3E7O 35F 0.00000007424 0.41612 23.3333
111 3TTI KBI 0.000003573 0.40726 23.9899
112 4JR7 GNP 0.00000000249 0.55416 24.0642
113 4WW7 AMP 0.00002397 0.41648 24.0642
114 3PP0 03Q 0.000000179 0.44207 24.2604
115 4F9C 0SX 0.000000007742 0.55496 24.9307
116 5I35 ANP 0.0001337 0.42983 25
117 1IGW PYR 0.00914 0.40588 25
118 3H9R TAK 0.0000000387 0.60061 26.0606
119 5AWM ANP 0.0000001084 0.56769 26.1421
120 4I94 ANP 0.00000003719 0.53759 26.3333
121 4XV1 904 0.0000001661 0.4012 26.7123
122 2JLD AG1 0.00000001536 0.41936 27.0202
123 2B9H ADP 0.00000006343 0.69729 27.1955
124 2B9J ADP 0.00000005341 0.53123 27.1955
125 2B9I ADP 0.00000007682 0.51461 27.1955
126 2B9F ADP 0.00000006437 0.51538 27.4788
127 3ZRM ZRM 0.00000002366 0.52922 27.4933
128 3GNI ATP 0.000002538 0.44395 27.7635
129 3HZT J60 0.00000004132 0.58373 27.7778
130 3VRY B43 0.00000001544 0.46377 27.7778
131 4NM5 ADP 0.00000006003 0.47326 27.8515
132 2H8H H8H 0.00000006883 0.5116 28.0303
133 1Y57 MPZ 0.000000607 0.444 28.0303
134 4CQE CQE 0.00000008771 0.48057 28.0576
135 5LXC 7AA 0.000000003516 0.75512 28.2828
136 1O9U ADZ 0.00000001768 0.69123 28.5714
137 4OUC 5ID 0.0000001316 0.67335 28.5714
138 5LRT ADP 0.0195 0.41258 28.5714
139 5X8I SQZ 0.000000002249 0.55468 28.6127
140 4YLL 4E3 0.0000003363 0.45937 28.8089
141 4ASE AV9 0.000000004684 0.45877 28.8952
142 3F7Z 34O 0.000000004296 0.54894 29.1429
143 2RIO ADP 0.0000004364 0.50014 29.2929
144 3LXK MI1 0.0000001752 0.43492 29.3578
145 5EFQ ADP 0.0000001363 0.50752 29.3948
146 4OH4 ANP 0.0000004613 0.49171 29.4294
147 5MY8 RXZ 0.00000007178 0.45416 29.5039
148 5LPZ ADP 0.0000004343 0.49096 29.5181
149 3PLS ANP 0.0000005007 0.49843 29.5302
150 2WU6 DKI 0.0000001583 0.46599 29.6588
151 4E93 GUI 0.0000003029 0.40658 29.7082
152 3KRL KRL 0.00000005405 0.47994 29.8507
153 2YAB AMP 0.00000005414 0.69856 29.9169
154 3OFM 4B0 0.000000006774 0.59188 30
155 3IGO ANP 0.0000001834 0.46829 30.0505
156 1OPK P16 0.0000000903 0.4183 30.0505
157 2PVN P63 0.00000002314 0.44091 30.1136
158 4Y85 499 0.00001639 0.4494 30.1205
159 4WOV 3SM 0.00001713 0.46804 30.2839
160 5EOB 5QQ 0.000006273 0.64369 30.4075
161 5HVJ ANP 0.0000009488 0.60068 30.4762
162 3CY2 MB9 0.0000001466 0.46422 30.5732
163 4M69 ANP 0.000009339 0.58337 30.6709
164 3BU5 ATP 0.00000002478 0.52313 30.719
165 1Q8Y ADE 0.0000005975 0.5542 30.8311
166 1Q8Y ADP 0.000001476 0.45737 30.8311
167 3GQI ACP 0.0000004578 0.48457 31.2883
168 3UIM ANP 0.000001167 0.47857 31.2883
169 4NST ADP 0.0000003609 0.65282 31.339
170 4K33 ACP 0.00000005195 0.50093 31.3846
171 2PVF ACP 0.00000002956 0.53337 31.4371
172 3DLS ADP 0.00000001983 0.71409 31.6418
173 5DBX ANP 0.00000006794 0.55443 31.7073
174 3M2W L8I 0.000000001493 0.61284 31.7726
175 2XVD AS6 0.000001794 0.40759 31.7881
176 5EKO N17 0.0000006348 0.44246 31.8059
177 1K3A ACP 0.00000008635 0.67979 32.107
178 5GZ9 ANP 0.0000002583 0.4553 32.1429
179 4AG8 AXI 0.00000003364 0.40503 32.2785
180 3C1X CKK 0.000001197 0.44692 32.4397
181 2X2M X2M 0.000000003816 0.51167 32.4841
182 4IDT T28 0.0000004623 0.50341 32.5843
183 2Y6O 1N1 0.0000001653 0.47183 32.646
184 4G31 0WH 0.0000001074 0.40201 32.7759
185 5UR1 YY9 0.000000162 0.40928 32.7974
186 2OO8 RAJ 0.00005741 0.40571 32.8076
187 5CEO 50D 0.0000002044 0.66706 33
188 5LPB ADP 0.0000001358 0.56152 33.1081
189 3O0G 3O0 0.000000005791 0.74698 33.2192
190 1UNH IXM 0.000000004558 0.74572 33.2192
191 3RI1 3RH 0.0000001575 0.43938 33.2268
192 1JPA ANP 0.00000001719 0.70247 33.3333
193 4U44 3D9 0.000000002051 0.55784 33.4337
194 5MJA 7O3 0.00000005301 0.54477 33.4426
195 4AU8 Z3R 0.00000001341 0.59793 33.4459
196 4QTB 38Z 0.000001056 0.41078 33.6842
197 4BTK DTQ 0.000000744 0.64103 33.8279
198 4AUA 4AU 0.0000001904 0.51611 34.202
199 4Y93 746 0.000000647 0.43078 34.3434
200 5T8O 76Z 0.0000001289 0.48287 34.384
201 4EUU BX7 0.00000002134 0.4608 34.4828
202 1V0O INR 0.00000001569 0.52049 34.7222
203 1U5R ATP 0.00000001416 0.5456 34.7701
204 2OFV 242 0.000001711 0.64856 35.0181
205 4H3Q ANP 0.0000001206 0.46389 35.0829
206 1U59 STU 0.00000002193 0.53192 35.1916
207 4Y8D 49J 0.000000002426 0.55248 35.2941
208 5VC5 96M 0.0000005468 0.42063 35.6401
209 3PN1 IVH 0.0005463 0.46842 35.7143
210 3GC8 B45 0.0000009751 0.4536 35.7143
211 1BYG STU 0.000000001307 0.59242 35.9712
212 4AT3 LTI 0.0000007346 0.40606 36.1204
213 2WQN ADP 0.0000002473 0.53036 36.129
214 3LXN MI1 0.00000001698 0.50966 36.1635
215 4U0I 0LI 0.00000003831 0.42427 36.1905
216 5M06 ADP 0.000000142 0.52882 36.2319
217 3FHR P4O 0.0000003434 0.48174 36.3095
218 2HY0 306 0.000000009567 0.58971 36.3354
219 4CLI 5P8 0.00000026 0.71196 36.3914
220 4USF 6UI 0.000005551 0.42478 36.5132
221 4EWH T77 0.00000005787 0.43731 36.7273
222 5HES 032 0.00000001663 0.73588 36.8078
223 2A19 ANP 0.0000001645 0.55374 36.9718
224 4H3P ANP 0.0000001868 0.49761 37.5
225 4A4X JUP 0.00000009695 0.43754 37.9928
226 4GJ3 0XP 0.00000000615 0.43657 38.0795
227 2ZV2 609 0.000000002571 0.6252 38.255
228 3DAK ANP 0.00000004239 0.5424 38.2759
229 1ZY5 ANP 0.00000007136 0.525 38.2838
230 4X7Q 3YR 0.0000000146 0.53006 38.7821
231 4E1Z 0MX 0.00000008365 0.47332 38.8316
232 2HK5 1BM 0.00000003018 0.49761 38.8889
233 1PHK ATP 0.000000214 0.48864 38.9262
234 3SRV S19 0.000000006439 0.55931 39.3502
235 5JGA 6KC 0.00000003804 0.41896 39.3651
236 3GGF GVD 0.000000002115 0.59011 39.5349
237 3SXS PP2 0.00000001354 0.51027 39.5522
238 5UIU 8CG 0.0000006025 0.66587 39.9381
239 3C0G 3AM 0.000000002021 0.60472 40.4558
240 5DH3 5BS 0.0000001246 0.48508 40.6349
241 4YMJ 4EJ 0.00000004839 0.64004 41.1184
242 3ORK AGS 0.0000001584 0.44972 41.1576
243 4BHN BH9 0.00000001591 0.50938 41.3174
244 2V7O DRN 0.000000005851 0.63274 41.369
245 2WEI VGG 0.0000001882 0.52612 41.4634
246 5VCV 1N1 0.0000001995 0.45173 41.4791
247 5C03 AGS 0.000006161 0.45117 41.5205
248 3ALN ANP 0.000001867 0.44718 41.5902
249 4BFM ANP 0.000000004445 0.52241 41.6168
250 5TA6 79D 0.0000008284 0.41309 41.8994
251 5U6C 7YS 0.000001176 0.44602 41.9048
252 3SLS ANP 0.000000149 0.47067 42.1053
253 3GC0 AMP 0.0000004659 0.52506 42.2492
254 3KN5 ANP 0.0000001265 0.66817 42.4615
255 2PZI AXX 0.000000326 0.53545 42.8571
256 4Y0X ADP 0.000000768 0.51213 42.8571
257 4CSV STI 0.000000375 0.45702 42.9091
258 5H2U 1N1 0.000001315 0.4804 43.0712
259 2WEL K88 0.00000007245 0.63222 43.1193
260 5DA3 58V 0.00000006336 0.57228 43.3962
261 4L9I 8PR 0.0000007554 0.49332 43.4343
262 2X4Z X4Z 0.000000882 0.66675 43.5811
263 4XLI 1N1 0.00000001603 0.54679 43.6567
264 5JZJ AN2 0.000000004586 0.55815 43.771
265 2VZ6 FEF 0.00000004452 0.55957 44.0895
266 4I6H 1C8 0.000002042 0.47035 44.1558
267 4CFU 2WC 0.00000002728 0.5516 44.2244
268 4JDI ANP 0.000000008263 0.51205 44.5087
269 4BCM T7Z 0.0000002617 0.63629 44.5183
270 4BCQ TJF 0.000002805 0.51216 44.5183
271 4BCN T9N 0.0000001515 0.54591 44.6667
272 4FG8 ATP 0.00000000839 0.51527 44.7619
273 4WNK 453 0.0000001679 0.42009 44.9495
274 5LMK 6ZK 0.000002563 0.48163 45.1178
275 4LOO SB4 0.00001087 0.44916 45.1524
276 4KS7 X4Z 0.000000416 0.45375 45.2055
277 5A6N U7E 0.00000003756 0.71161 45.2297
278 2J7T 274 0.0000007658 0.405 45.3642
279 5L8L ADP 0.0000003171 0.54745 45.614
280 5G1X ADP 0.0000003152 0.50847 45.614
281 2F2U M77 0.0000000000765 0.6789 45.7071
282 5UOX 8GY 0.00000007884 0.48533 45.7565
283 5LXM ADP 0.0000003062 0.50804 45.9364
284 5UKL SIX 0.000003868 0.61343 46.2121
285 3PVW QRX 0.00000009242 0.44737 46.2121
286 3HMO STU 0.0000000238 0.53758 46.4912
287 2YAK OSV 0.00000004431 0.42973 46.6667
288 3V8S 0HD 0.000000000007075 0.6467 46.7172
289 2VN9 GVD 0.000000007804 0.6272 46.8439
290 4UAL 3FV 0.000000008337 0.74117 46.9697
291 4WB7 ATP 0.0000000001337 0.44167 46.9697
292 2F57 23D 0.0000000272 0.55564 47.0032
293 5HQ0 LZ9 0.000000006684 0.51806 47.0199
294 4YZN 4K5 0.000000002172 0.50343 47.3868
295 5FBN 5WF 0.0000001723 0.40003 47.6015
296 5AX9 4KT 0.00000001093 0.53318 47.7273
297 4D2S DYK 0.000000006838 0.58836 48.2394
298 3E5A VX6 0.000001223 0.4354 48.8806
299 4WNP 3RJ 0.000000006967 0.59145 49.8258
300 3AQV TAK 0.00000004593 0.52502 50
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