Receptor
PDB id Resolution Class Description Source Keywords
4HNF 2.07 Å EC: 2.7.11.26 CRYSTAL STRUCTURE OF CK1D IN COMPLEX WITH PF4800567 HOMO SAPIENS CK1D KINASE INHIBITOR PF4800567 TRANSFERASE-TRANSFERASE COMPLEX
Ref.: STRUCTURAL BASIS FOR THE POTENT AND SELECTIVE INHIB CASEIN KINASE 1 EPSILON. J.MED.CHEM. V. 55 10307 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
16W A:301;
B:301;
Valid;
Valid;
none;
none;
ic50 = 711 nM
359.81 C17 H18 Cl N5 O2 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4KBA 1.98 Å EC: 2.7.11.26 CK1D IN COMPLEX WITH 9-[3-(4-FLUOROPHENYL)-1-METHYL-1H-PYRAZ 2,3,4,5-TETRAHYDROPYRIDO[2,3-F][1,4]OXAZEPINE INHIBITOR HOMO SAPIENS SER/THR KINASE INHIBITOR TRANSFERASE-TRANSFERASE INHIBITOR
Ref.: LIGAND-PROTEIN INTERACTIONS OF SELECTIVE CASEIN KIN DELTA INHIBITORS. J.MED.CHEM. V. 56 6819 2013
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 4KBA ic50 = 654 nM 1QM C18 H17 F N4 O Cn1cc(c(n1....
2 4KBC - 1QJ C15 H12 F N3 O c1cc(ccc1c....
3 4TWC - 37J C20 H11 F6 N5 O3 S c1ccc(c(c1....
4 4HNF ic50 = 711 nM 16W C17 H18 Cl N5 O2 c1cc(cc(c1....
70% Homology Family (15)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4KBA ic50 = 654 nM 1QM C18 H17 F N4 O Cn1cc(c(n1....
2 4KBC - 1QJ C15 H12 F N3 O c1cc(ccc1c....
3 4TWC - 37J C20 H11 F6 N5 O3 S c1ccc(c(c1....
4 4HNF ic50 = 711 nM 16W C17 H18 Cl N5 O2 c1cc(cc(c1....
5 5IH5 ic50 = 0.5 uM AUE C12 H10 Cl N7 c1cc(cc(c1....
6 5MQV ic50 = 8 nM D5Q C29 H26 F N5 O3 S Cn1cc(cc1C....
7 3UZP - 0CK C19 H20 F N5 c1cc(ccc1c....
8 5W4W ic50 = 8 nM 9WG C18 H15 F N4 O Cn1cc(c(n1....
9 4TW9 ic50 = 0.02 uM 386 C20 H10 F5 N5 O5 S c1ccc(c(c1....
10 5IH6 ic50 = 2.5 uM AUG C12 H10 Br N7 c1cc(cc(c1....
11 3UYT - 0CK C19 H20 F N5 c1cc(ccc1c....
12 4KB8 ic50 = 3040 nM 1QN C17 H17 F N4 CNCc1cc(cc....
13 4KBK ic50 > 1000 nM 1QG C19 H19 F N4 O Cn1cc(c(n1....
14 2CSN Ki = 39 uM CKI C11 H12 Cl N3 O2 S c1cc(c2ccn....
15 1CSN - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
50% Homology Family (21)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 4XH0 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 4XHG - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 4KBA ic50 = 654 nM 1QM C18 H17 F N4 O Cn1cc(c(n1....
4 4KBC - 1QJ C15 H12 F N3 O c1cc(ccc1c....
5 4TWC - 37J C20 H11 F6 N5 O3 S c1ccc(c(c1....
6 4HNF ic50 = 711 nM 16W C17 H18 Cl N5 O2 c1cc(cc(c1....
7 4BTK Kd = 0.24 uM DTQ C16 H15 N3 O3 COc1cc2c(c....
8 5IH5 ic50 = 0.5 uM AUE C12 H10 Cl N7 c1cc(cc(c1....
9 5MQV ic50 = 8 nM D5Q C29 H26 F N5 O3 S Cn1cc(cc1C....
10 3UZP - 0CK C19 H20 F N5 c1cc(ccc1c....
11 5W4W ic50 = 8 nM 9WG C18 H15 F N4 O Cn1cc(c(n1....
12 4TW9 ic50 = 0.02 uM 386 C20 H10 F5 N5 O5 S c1ccc(c(c1....
13 5IH6 ic50 = 2.5 uM AUG C12 H10 Br N7 c1cc(cc(c1....
14 3UYT - 0CK C19 H20 F N5 c1cc(ccc1c....
15 4KB8 ic50 = 3040 nM 1QN C17 H17 F N4 CNCc1cc(cc....
16 4KBK ic50 > 1000 nM 1QG C19 H19 F N4 O Cn1cc(c(n1....
17 4NFN ic50 = 120 nM 2KC C19 H23 Br N6 O CC1(CCN(CC....
18 2CSN Ki = 39 uM CKI C11 H12 Cl N3 O2 S c1cc(c2ccn....
19 1CSN - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
20 4G17 ic50 = 0.029 uM 0VN C18 H18 N4 CC(C)(C)c1....
21 4G16 ic50 = 0.14 uM 0VM C20 H12 F3 N5 O c1cc(c(nc1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 16W; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 16W 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4KBA; Ligand: 1QM; Similar sites found: 316
This union binding pocket(no: 1) in the query (biounit: 4kba.bio1) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4O4F ATP 0.001114 0.41529 1.6129
2 4O4F IHP 0.001386 0.41529 1.6129
3 5MW8 ATP 0.0000205 0.47092 1.69851
4 5IQD RIO 0.0006648 0.44411 2.29508
5 5IQD GNP 0.0006188 0.44411 2.29508
6 4BG4 ADP 0.001308 0.44834 2.41692
7 3OPT AKG 0.005698 0.44582 2.41692
8 4ANW O92 0.0005534 0.44061 2.41692
9 2YW2 ATP 0.002497 0.42799 2.41692
10 3SJK LYS PRO VAL LEU ARG THR ALA 0.01869 0.42394 2.63158
11 3UDZ ADP 0.000008461 0.46679 2.71903
12 4OCV ANP 0.0003688 0.41502 2.71903
13 4OCJ NDG 0.005724 0.4061 2.71903
14 5W2I ADP 0.0008146 0.41596 2.72374
15 5W2I I3P 0.0008146 0.41596 2.72374
16 4R78 AMP 0.00008767 0.40104 2.91262
17 1M15 ADP 0.005598 0.40305 3.02115
18 1M15 ARG 0.005598 0.40305 3.02115
19 3VPB ADP 0.0001825 0.44494 3.19149
20 3VPC ADP 0.0002817 0.42371 3.19149
21 2WLG SOP 0.01286 0.40413 3.25581
22 2PUL ACP 0.000001558 0.47632 3.32326
23 1TQP ATP 0.0003675 0.42968 3.5461
24 1N9L FMN 0.008339 0.40829 3.66972
25 4RF7 ARG 0.0049 0.40878 3.92749
26 5K2M ADP 0.002142 0.4013 4.53172
27 2XG5 EC5 0.004421 0.45063 4.58716
28 2XG5 EC2 0.004421 0.45063 4.58716
29 1ZP9 ATP 0.0000287 0.42863 4.65116
30 1ZTH ADP 0.00001508 0.42451 4.65116
31 3SHR CMP 0.01379 0.41616 4.68227
32 2QHV OC9 0.02773 0.40469 4.7619
33 5LIA 6XN 0.004996 0.43029 4.83384
34 1W2D ADP 0.00009915 0.40729 4.90566
35 1W2D 4IP 0.003115 0.40659 4.90566
36 2IO8 ADP 0.0007804 0.417 5.13595
37 3W0O ADP 0.002135 0.41449 5.13595
38 3W0O HY0 0.002135 0.41449 5.13595
39 2VPQ ANP 0.001878 0.40056 5.13595
40 2ZHL NAG GAL GAL NAG 0.01238 0.41452 5.40541
41 5I35 ANP 0.00001203 0.45233 5.43807
42 3GNI ATP 0.0004239 0.4139 5.43807
43 3I0O ADP 0.0001185 0.40107 5.74018
44 4KU7 PCG 0.01122 0.4166 5.88235
45 2V58 LZJ 0.002928 0.4243 6.0423
46 1T36 ADP 0.003541 0.40293 6.0423
47 1IA9 ANP 0.0008601 0.45233 6.07143
48 3TAY MN0 0.002287 0.41035 6.13497
49 2HKA C3S 0.004187 0.42166 6.15385
50 3ETH ATP 0.001417 0.40006 6.19718
51 2PYW ADP 0.000002891 0.48922 6.34441
52 2IF8 ADP 0.0000133 0.40836 6.64653
53 4O1P ANP 0.00005038 0.43546 6.94864
54 3T4L ZEA 0.0001538 0.4165 6.94864
55 5DMZ ADP 0.0004609 0.40816 6.94864
56 4CYI ATP 0.0009362 0.40089 6.94864
57 5GZ9 ANP 0.0002436 0.43184 7.54098
58 3ZJX BOG 0.006041 0.44674 7.61246
59 5U98 1KX 0.005564 0.40977 7.94224
60 4LRJ ANP 0.000222 0.41255 8.28402
61 4OFG PCG 0.01172 0.41567 8.33333
62 4CRL C1I 0.000009111 0.51329 8.45921
63 4ZS4 ATP 0.0002704 0.41477 8.46906
64 3M2W L8I 0.0000005846 0.47336 8.69565
65 4IJP 1EH 0.000003572 0.48508 8.76133
66 2PZI AXX 0.00003484 0.53875 9.06344
67 4Y0X ADP 0.0000616 0.425 9.06344
68 3KYG 5GP 5GP 0.01051 0.40378 9.2511
69 4DFU QUE 0.003514 0.45606 9.62733
70 4BKJ STI 0.00003757 0.47027 10.1587
71 2Y6O 1N1 0.0000000108 0.58079 10.2719
72 4GYI ADP 0.00009452 0.51766 10.2719
73 4OUC 5ID 0.000001329 0.46943 10.6443
74 1DZK PRZ 0.008485 0.41859 10.828
75 5KO1 6UY 0.00003042 0.4341 10.9541
76 5VCV 1N1 0.00000001463 0.59243 11.254
77 3LXK MI1 0.00001572 0.49474 11.9266
78 5CKW ANP 0.00008985 0.4019 12.9909
79 4I94 ANP 0.0003741 0.40144 13
80 4OAV ACP 0.0000876 0.42366 13.5952
81 4AU8 Z3R 0.00001126 0.44103 13.8514
82 3O0G 3O0 0.0000007984 0.48952 14.0411
83 1UNH IXM 0.0000006872 0.47542 14.0411
84 4FHD 0TT 0.001591 0.42236 14.1304
85 4FHD EEM 0.001591 0.42236 14.1304
86 4G31 0WH 0.000001366 0.54622 14.7157
87 4YZC STU 0.0000002565 0.58095 15.1057
88 3G08 FEE 0.01105 0.4077 15.1515
89 2A19 ANP 0.00002896 0.54973 15.8451
90 4A4X JUP 0.00004209 0.47349 16.129
91 3HMO STU 0.000008233 0.45683 16.3743
92 1ZY5 ANP 0.00005891 0.42504 16.5016
93 4Y93 746 0.00009137 0.45619 17.2205
94 2X2M X2M 0.0000001308 0.54448 17.5159
95 3VHE 42Q 0.00000248 0.53015 18.1269
96 3RE4 TO1 0.000001586 0.45572 18.6047
97 4L3L 5FI 0.00000932 0.5075 18.75
98 1PHK ATP 0.00004268 0.44323 19.4631
99 2WU6 DKI 0.0000004917 0.53054 19.6375
100 1U5R ATP 0.00001193 0.46048 19.6375
101 4D2S DYK 0.000009827 0.44363 19.7183
102 3E8N VRA 0.00008722 0.48762 19.9396
103 3E8N ATP 0.00008722 0.48762 19.9396
104 2OO8 RAJ 0.00001004 0.4729 20.1893
105 3V8S 0HD 0.000002159 0.47362 20.2417
106 4IX4 ADP 0.0001458 0.4334 20.2417
107 3C1X CKK 0.0007383 0.41101 20.2417
108 4JR7 GNP 0.000006068 0.46687 20.3209
109 3FHR P4O 0.000002368 0.56644 20.5438
110 2RIO ADP 0.00008565 0.42416 20.5438
111 5HVJ ANP 0.0006346 0.49633 20.6349
112 4WW7 AMP 0.000008998 0.47603 20.6897
113 5N87 N66 0.000004094 0.53063 21.0863
114 5VC5 96M 0.000003789 0.51884 21.1073
115 4H3Q ANP 0.00003097 0.46489 21.4502
116 4H3P ANP 0.00001295 0.45747 21.4502
117 3UIM ANP 0.0001377 0.42162 21.4724
118 3PE2 E1B 0.00002212 0.51358 21.9585
119 3LXN MI1 0.00003398 0.45387 22.0126
120 5MY8 RXZ 0.000008792 0.49457 22.0544
121 5JGA 6KC 0.00000004003 0.6053 22.2222
122 4M69 ANP 0.0002065 0.42552 22.2615
123 5BVE 4VG 0.00000009193 0.63032 22.3565
124 4U44 3D9 0.00000003393 0.54251 22.3565
125 3DLS ADP 0.00001043 0.4424 22.3565
126 4DC2 ADE 0.0000005003 0.42367 22.3565
127 2XVD AS6 0.000000245 0.56754 22.5166
128 4EUU BX7 0.0001701 0.45073 22.5705
129 5MJA 7O3 0.00000002011 0.52872 22.623
130 5LI9 ACP 0.000001533 0.57486 22.6586
131 4Y8D 49J 0.00000001007 0.5565 22.6586
132 4USF 6UI 0.00000932 0.48746 22.6586
133 1CM8 ANP 0.000003128 0.46475 22.6586
134 4CLI 5P8 0.000004633 0.53911 22.9358
135 2WEL K88 0.00002257 0.40003 22.9358
136 4QTB 38Z 0.000007322 0.50969 22.9607
137 2V7O DRN 0.000001095 0.45544 22.9607
138 5AX9 4KT 0.0000001291 0.52191 23.0519
139 5HX8 66P 0.0000852 0.46213 23.5099
140 1OUK 084 0.000003169 0.59117 23.565
141 4LOO SB4 0.00000006133 0.53506 23.565
142 5DRB 5FJ 0.0002832 0.46751 23.7113
143 3KRR DQX 0.0000001341 0.62557 23.7288
144 5BYZ 4WE 0.00001684 0.49919 23.8671
145 3TXO 07U 0.0000002147 0.49419 23.8671
146 4F9C 0SX 0.000005592 0.4608 23.8671
147 3SXS PP2 0.000000339 0.52257 23.8806
148 2VZ6 FEF 0.00001902 0.55154 23.9617
149 3GC8 B45 0.0000002427 0.59626 24.1692
150 3OFM 4B0 0.0000001933 0.49175 24.1692
151 5NKB 8ZT 0.00000005318 0.50196 24.183
152 4AUA 4AU 0.0001186 0.4259 24.43
153 2PVN P63 0.0000322 0.48447 24.4318
154 4OTH DRN 0.00006782 0.44971 24.4713
155 2VN9 GVD 0.0000009364 0.46288 24.9169
156 4X7Q 3YR 0.000000332 0.612 25
157 5LI1 ANP 0.00002224 0.46494 25
158 5TO8 7FM 0.00002739 0.50181 25.1773
159 4BCQ TJF 0.00001314 0.43065 25.2492
160 4BCM T7Z 0.000007571 0.41619 25.2492
161 4BCN T9N 0.000006712 0.57355 25.3333
162 1Q8Y ADP 0.00004347 0.44825 25.3776
163 4NST ADP 0.00003217 0.4412 25.3776
164 1Q8Y ADE 0.00002288 0.41971 25.3776
165 5UIU 8CG 0.00001626 0.49798 25.387
166 2R5T ANP 0.00006144 0.4484 25.4692
167 2XMY CDK 0.000006918 0.55239 25.5034
168 5LMK 6ZK 0.00001411 0.44429 25.5892
169 4P5Z Q7M 0.00000003467 0.61804 25.6798
170 5T8O 76Z 0.0000006772 0.58378 25.6798
171 4GJ3 0XP 0.00000007344 0.59264 25.8278
172 2BPM 529 0.00001451 0.41019 25.89
173 5EFQ ADP 0.00002256 0.44759 25.9819
174 4FG8 ATP 0.00006341 0.44357 26.284
175 5EKO N17 0.0003175 0.42696 26.284
176 5C03 AGS 0.00008382 0.42672 26.284
177 5LXC 7AA 0.0000001406 0.50006 26.5861
178 4JDI ANP 0.0000159 0.46591 26.5861
179 5JZJ AN2 0.00003987 0.43704 26.5993
180 5EOB 5QQ 0.00005673 0.50426 26.6458
181 3KN5 ANP 0.000068 0.41686 26.7692
182 3IGO ANP 0.0000001339 0.60731 26.8882
183 5X8I SQZ 0.00000007646 0.52579 26.8882
184 4IDT T28 0.000001945 0.48196 26.8882
185 5DH3 5BS 0.00005274 0.4511 26.8882
186 3C0G 3AM 0.00000898 0.43959 26.8882
187 5USZ SKE 0.00004674 0.47628 26.9896
188 3GC0 AMP 0.00001399 0.43319 27.0517
189 4CFU 2WC 0.000002366 0.58771 27.0627
190 5M06 ADP 0.000005106 0.44935 27.1739
191 4WHZ 3NL 0.0000005233 0.58407 27.1903
192 2B9I ADP 0.000009512 0.54568 27.1903
193 3TTI KBI 0.000001156 0.53894 27.1903
194 2B9H ADP 0.000001964 0.49011 27.1903
195 5LPZ ADP 0.000002154 0.47984 27.1903
196 2B9J ADP 0.000009555 0.45426 27.1903
197 3PTG 932 0.0000479 0.41365 27.1903
198 5TA6 79D 0.00000501 0.51411 27.3743
199 4WOV 3SM 0.000195 0.40402 27.4448
200 4UX9 ANP 0.00002665 0.51412 27.4924
201 2B9F ADP 0.000002556 0.47842 27.4924
202 5FBN 5WF 0.000002836 0.53532 27.6753
203 3DAK ANP 0.00008507 0.41599 27.7946
204 4E1Z 0MX 0.00006144 0.45382 27.8351
205 4OH4 ANP 0.000008227 0.46439 28.7009
206 4WNK 453 0.0001977 0.45523 28.7009
207 4Y85 499 0.0001028 0.42527 28.7009
208 5HCY 60D 0.00000003407 0.62731 29.003
209 3PVW QRX 0.00006021 0.47601 29.003
210 5DEY 59T 0.000001964 0.56508 29.3051
211 3PLS ANP 0.00006752 0.42699 29.5302
212 5IH9 6BF 0.000004338 0.52961 29.6073
213 2X4Z X4Z 0.0000009237 0.55487 29.7297
214 3QCQ 3Q0 0.00002026 0.54579 29.8077
215 2JDR L20 0.00006596 0.50347 29.8246
216 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.00006596 0.50347 29.8246
217 4K33 ACP 0.0001949 0.4209 29.8462
218 5LVP ATP 0.0000646 0.42134 29.9035
219 4BHN BH9 0.00000406 0.48485 29.9094
220 3PP0 03Q 0.00000007638 0.59103 30.1775
221 3MVH WFE 0.0001223 0.46345 30.2115
222 3ORK AGS 0.0004166 0.43175 30.2251
223 1VJY 460 0.000000001556 0.66139 30.363
224 5LPB ADP 0.000003066 0.44891 30.4054
225 5HQ0 LZ9 0.0000007792 0.50903 30.4636
226 5AWM ANP 0.00002557 0.42037 30.5136
227 1XJD STU 0.0000000174 0.55408 30.8157
228 2QCS ANP 0.00006825 0.46699 30.8157
229 4BFM ANP 0.00001407 0.46675 30.8157
230 4WB7 ATP 0.0004387 0.44883 30.8157
231 3NW7 LGV 0.00001167 0.52513 30.9446
232 2GU8 796 0.0000006697 0.58734 31.1178
233 3E7O 35F 0.0000003737 0.56672 31.1178
234 1RE8 BD2 0.00004466 0.50088 31.1178
235 4WB6 ATP 0.00004896 0.47066 31.1178
236 3FHI ANP 0.00009686 0.45954 31.1178
237 3IDB ANP 0.00006025 0.45203 31.1178
238 4YMJ 4EJ 0.0000007097 0.43378 31.25
239 4QMN DB8 0.000000162 0.58714 31.2903
240 2WEI VGG 0.00000001148 0.53888 31.3589
241 5JKG 6LF 0.000003816 0.53513 31.5113
242 4C2V YJA 0.000001449 0.53935 31.5789
243 1K3A ACP 0.000001447 0.46248 31.7726
244 2F57 23D 0.000002319 0.46789 31.8612
245 2ZV2 609 0.0000002762 0.65042 31.8792
246 3TKI S25 0.00006187 0.50163 31.8885
247 3SLS ANP 0.00006381 0.44763 31.9079
248 2HY0 306 0.00001624 0.44014 31.9876
249 2YAB AMP 0.0000106 0.46557 32.0242
250 3GQI ACP 0.0001326 0.42419 32.2086
251 4YLL 4E3 0.000004283 0.49516 32.6284
252 3BU5 ATP 0.000003747 0.47287 32.6797
253 4KS7 X4Z 0.000006799 0.52881 32.8767
254 3EKK GS2 0.000000397 0.57327 32.899
255 3RI1 3RH 0.0000872 0.46193 32.9073
256 2PVF ACP 0.0001352 0.41764 32.9305
257 3SXF BK5 0.000000805 0.55727 33.2326
258 3HZT J60 0.00001988 0.43089 33.2326
259 4AG8 AXI 0.000004548 0.47037 33.8608
260 5UR1 YY9 0.0000002816 0.58781 34.0836
261 4NW6 2NS 0.000002248 0.53572 34.139
262 3KRL KRL 0.00009527 0.44384 34.139
263 5HES 032 0.0000003754 0.52911 34.202
264 3GGF GVD 0.00001109 0.44907 34.2193
265 1V0O INR 0.0000002874 0.51768 34.375
266 4WNP 3RJ 0.00001335 0.4376 34.8432
267 5CEO 50D 0.000002503 0.47591 35
268 4AT3 LTI 0.0004646 0.4406 35.1171
269 4C2W ANP 0.00004529 0.41848 35.1254
270 5EYK 5U5 0.000001525 0.53426 35.1449
271 2WQN ADP 0.00002215 0.54832 35.1613
272 4E93 GUI 0.000002697 0.53258 35.6495
273 5U6C 7YS 0.00009163 0.44321 35.873
274 1OPK P16 0.000003304 0.52719 35.9517
275 4ASE AV9 0.0000006827 0.54787 36.2606
276 5G1X ADP 0.0001784 0.4153 36.4912
277 5L8L ADP 0.00007222 0.41203 36.4912
278 4U0I 0LI 0.00000327 0.52737 36.5079
279 5UOX 8GY 0.000004506 0.48936 36.5314
280 3VRY B43 0.0000003808 0.56911 36.5559
281 5A6N U7E 0.000008792 0.47057 36.7491
282 5LXM ADP 0.0001626 0.41598 36.7491
283 2H8H H8H 0.000001791 0.48343 36.858
284 1Y57 MPZ 0.0001066 0.44422 36.858
285 3ALN ANP 0.0001341 0.43213 37.0031
286 5JFS 6K0 0.00002649 0.50381 37.013
287 3AQV TAK 0.00005138 0.44079 37.3188
288 4FL3 ANP 0.00001372 0.47188 37.4622
289 4Q5H ANP 0.0006755 0.40098 37.931
290 4I6H 1C8 0.000001507 0.48541 37.987
291 4IZY 1J2 0.000009054 0.47371 38.0665
292 2YAK OSV 0.000005414 0.51679 38.2456
293 5EW9 5VC 0.0003493 0.49777 38.3764
294 3E5A VX6 0.001199 0.42763 38.806
295 2Z7R STU 0.000005139 0.48692 38.9728
296 5DBX ANP 0.0001417 0.40501 38.9728
297 4ITH RCM 0.0001451 0.4292 39.1156
298 1BYG STU 0.000003269 0.46095 39.5683
299 4N70 2HX 0.000001588 0.56389 39.8792
300 3CY2 MB9 0.000001852 0.50856 39.8792
301 1U59 STU 0.000002371 0.48385 40.0697
302 4YZN 4K5 0.000003328 0.49998 40.4181
303 4RFM 3P6 0.0002038 0.47563 42.4812
304 4EWH T77 0.000000118 0.57761 42.5455
305 3G5D 1N1 0.0000001063 0.62137 42.6573
306 4XV1 904 0.0000001817 0.58122 43.1507
307 2OFV 242 0.0000007011 0.5615 43.3213
308 4CSV STI 0.000003062 0.50072 43.6364
309 4XLI 1N1 0.000000006515 0.55261 44.403
310 2HK5 1BM 0.0000001911 0.53 44.4444
311 4TWP AXI 0.00000147 0.56116 44.6494
312 4CQE CQE 0.000000272 0.52977 45.3237
313 3SRV S19 0.0000005597 0.49192 45.4874
314 4F4P 0SB 0.00000002989 0.64881 46.1538
315 5H2U 1N1 0.0000004704 0.50168 47.191
316 5DA3 58V 0.000009555 0.43232 47.5472
Pocket No.: 2; Query (leader) PDB : 4KBA; Ligand: 1QM; Similar sites found: 11
This union binding pocket(no: 2) in the query (biounit: 4kba.bio5) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5AIG VPR 0.03124 0.40077 None
2 4PU5 ANP 0.009108 0.40015 2.71903
3 2CBZ ATP 0.04804 0.40498 2.95359
4 4MIB 28M 0.02571 0.40324 3.92749
5 3P7N FMN 0.01065 0.40309 3.92749
6 1YRO UDP 0.02446 0.41514 4.06504
7 5FS0 5JC 0.01392 0.42278 5.6872
8 2V0U FMN 0.01421 0.40056 6.84932
9 3HAV ATP 0.001209 0.40885 8.02676
10 5C4L 4XR 0.001585 0.4153 9.06344
11 3BZ3 YAM 0.00001489 0.40034 29.7101
Pocket No.: 3; Query (leader) PDB : 4KBA; Ligand: 1QM; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 4kba.bio5) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4KBA; Ligand: 1QM; Similar sites found: 332
This union binding pocket(no: 4) in the query (biounit: 4kba.bio4) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1EHI ADP 0.005188 0.43038 1.20846
2 3GD9 GLC BGC BGC BGC 0.008157 0.41224 1.51057
3 2WTX VDO 0.0446 0.40383 1.51057
4 2WTX UDP 0.04278 0.40383 1.51057
5 3WVR AMP 0.006067 0.42077 1.566
6 3CH6 NAP 0.04814 0.41906 1.74825
7 3CH6 311 0.04814 0.41906 1.74825
8 5W8E SXZ 0.04175 0.40236 1.80995
9 4K26 NDP 0.01012 0.43247 1.81159
10 2QK4 ATP 0.0004079 0.46912 1.81269
11 3B6R ADP 0.001855 0.44813 1.81269
12 4YBN FAD 0.01139 0.42729 1.81269
13 3K5I AIR 0.01753 0.42002 1.81269
14 3K5I ADP 0.01029 0.41744 1.81269
15 2ZYI STE 0.02365 0.40552 1.81269
16 5J75 6GQ 0.003948 0.43209 1.89394
17 3RJ5 NAD 0.03452 0.4117 1.9685
18 1V9A SAH 0.009071 0.41439 2.09205
19 4B2Z P5S 0.004092 0.46005 2.1148
20 2YNE YNE 0.04352 0.4304 2.1148
21 2YNE NHW 0.04352 0.4304 2.1148
22 5X8G S0N 0.02115 0.43009 2.1148
23 3ETG GLU 0.02633 0.42931 2.1148
24 3ETG NDP 0.0266 0.42907 2.1148
25 4J7Q B7N 0.0318 0.4097 2.1148
26 4ZH7 FUC GAL NAG GAL FUC 0.009513 0.40662 2.1148
27 2RIF AMP 0.01255 0.40539 2.12766
28 4C5N ACP 0.0008207 0.49055 2.17391
29 4C5N PXL 0.005836 0.44738 2.17391
30 4CC6 L5Y 0.004909 0.41777 2.20126
31 3A4V NAD 0.03089 0.41239 2.2082
32 3A4V PYR 0.03089 0.41239 2.2082
33 4HVA 4HV 0.02147 0.41175 2.26415
34 5C1P ADP 0.0005498 0.46878 2.28758
35 5C1P DAL DAL 0.0014 0.46795 2.28758
36 4GLW 0XT 0.007671 0.40854 2.29508
37 5A5W GUO 0.02859 0.41703 2.37154
38 5KJW 53C 0.000175 0.45327 2.41692
39 3X01 AMP 0.0003955 0.45265 2.41692
40 1U6R ADP 0.004436 0.43173 2.41692
41 5TDF ADP 0.007954 0.42302 2.41692
42 4U03 TLL 0.03199 0.41947 2.41692
43 1JWY GDP 0.01265 0.4073 2.41692
44 4J6W CTP 0.03924 0.40049 2.43902
45 3NCQ ATP 0.01742 0.40768 2.52101
46 3P3G UKW 0.007211 0.4362 2.66667
47 3P3G 3P3 0.007211 0.4362 2.66667
48 5ML3 DL3 0.0445 0.40388 2.68456
49 3ACL 3F1 0.002938 0.43837 2.7027
50 4UWH JXM 0.0006078 0.46932 2.71903
51 1LSH PLD 0.005058 0.44551 2.71903
52 1B7H LYS NLE LYS 0.01796 0.42176 2.71903
53 5MRH Q9Z 0.00518 0.41666 2.71903
54 3P2H NOO 0.01097 0.41234 2.71903
55 4J1Q NDP 0.02315 0.41004 2.71903
56 4NOS ITU 0.00751 0.40898 2.71903
57 4EUE NAI 0.03211 0.40735 2.71903
58 2CFM AMP 0.009813 0.40597 2.71903
59 2V0C ANZ 0.01604 0.40417 2.71903
60 3ORQ ADP 0.0193 0.40377 2.71903
61 3FSY SCA 0.03209 0.40008 2.71903
62 1S4M LUM 0.02444 0.40752 2.73038
63 1ERB ETR 0.009101 0.42961 2.73224
64 5MF5 C2E 0.01751 0.4122 2.73438
65 5NJI 8Z2 0.01086 0.42568 2.79503
66 1LN1 DLP 0.03598 0.40472 2.80374
67 4U98 ACP 0.005962 0.42333 2.86344
68 4X9X OLA 0.003891 0.44701 3.01003
69 1VCE SAH 0.004862 0.43177 3.01887
70 1WNG SAH 0.006675 0.42682 3.01887
71 3DLG GWE 0.004017 0.47873 3.02115
72 4O12 2QG 0.02129 0.4592 3.02115
73 3KAL ADP 0.005908 0.44589 3.02115
74 4B0T ADP 0.009522 0.42569 3.02115
75 3T1A 5MA 0.00806 0.42089 3.02115
76 3V4S ATP 0.01142 0.41691 3.02115
77 1GQG DCD 0.01373 0.41451 3.02115
78 2ORO 228 0.01044 0.41139 3.02115
79 3V4S ADP 0.04242 0.40302 3.02115
80 4WUJ FMN 0.01869 0.40272 3.02115
81 2C6Q IMP 0.02693 0.40262 3.02115
82 5T8U LPA 0.01362 0.40145 3.02115
83 3LU1 NAD 0.04171 0.40023 3.02115
84 1N07 FMN 0.005034 0.44952 3.06748
85 4ZGP ADP 0.002669 0.44041 3.07167
86 2DRC MTX 0.01861 0.46965 3.14465
87 2X3F APC 0.01743 0.41643 3.15789
88 3OJI PYV 0.01558 0.40844 3.1746
89 4K55 H6P 0.0004936 0.40648 3.22581
90 4RDL FUC GAL NDG FUC 0.0002457 0.45774 3.24675
91 4IPH 1FJ 0.003368 0.44862 3.25203
92 4NG2 OHN 0.01627 0.41383 3.26087
93 2XXP DSL 0.008317 0.46502 3.26633
94 3AIA SAM 0.01172 0.40893 3.31754
95 3KMW ATP 0.001841 0.4483 3.32103
96 2Q7D ANP 0.002607 0.45587 3.32326
97 4PAB THG 0.003333 0.43569 3.32326
98 5KY9 GDP 0.004702 0.42616 3.32326
99 3OV6 MK0 0.01772 0.41857 3.32326
100 2Q4H AMP 0.01857 0.41369 3.32326
101 3H7J PPY 0.01133 0.40755 3.32326
102 1G51 AMO 0.02501 0.40701 3.32326
103 4IQY AR6 0.0226 0.40508 3.33333
104 1XNG ATP 0.01174 0.41278 3.35821
105 1WUB OTP 0.02801 0.4193 3.37079
106 2G30 ALA ALA PHE 0.00000006889 0.45654 3.48837
107 3ILR SGN IXD 0.03361 0.42058 3.51351
108 3ILR SGN 0.03316 0.41862 3.51351
109 3ILR IXD 0.03316 0.41862 3.51351
110 4GLL NAD 0.02348 0.41451 3.56083
111 2RDE C2E 0.002466 0.43734 3.58566
112 4EHU ANP 0.0166 0.41189 3.62319
113 2C78 PUL 0.006683 0.4629 3.62538
114 4OYA 1VE 0.008604 0.46103 3.62538
115 3B2Q ATP 0.008959 0.42549 3.62538
116 5EYP LOC 0.0189 0.40749 3.62538
117 4PW3 MSS 0.02019 0.40279 3.62538
118 3MJE NDP 0.03577 0.40261 3.62538
119 1TZD ADP 0.001553 0.40481 3.63636
120 2ZMF CMP 0.006888 0.42427 3.7037
121 4O9S 2RY 0.0007006 0.48492 3.72093
122 3E85 BSU 0.01965 0.42485 3.79747
123 1LNM DTX 0.006208 0.42839 3.80435
124 2X34 UQ8 0.01765 0.43275 3.8674
125 2Z6C FMN 0.00497 0.4313 3.87597
126 3OQJ 3CX 0.01248 0.40094 3.89105
127 5VZ0 ADP 0.004212 0.43072 3.92749
128 4D57 ARG AMP 0.01393 0.42977 3.92749
129 1W96 S1A 0.007958 0.42116 3.92749
130 5XDT MB3 0.02 0.4193 3.92749
131 3HKW IX6 0.03915 0.41692 3.92749
132 3IES M24 0.02353 0.41664 3.92749
133 5XDT ZI7 0.02068 0.41128 3.92749
134 3QXV MTX 0.003567 0.43639 3.96825
135 3AKK ADP 0.01304 0.41051 4
136 1QY1 PRZ 0.0008862 0.47247 4.02299
137 1IIU RTL 0.01228 0.41533 4.02299
138 2J9D AMP 0.009515 0.41539 4.20168
139 2J9D ADP 0.01416 0.4122 4.20168
140 2J9C ATP 0.02399 0.4066 4.20168
141 2FB3 GTP 0.02639 0.40834 4.22961
142 1V3S ATP 0.01549 0.40856 4.31034
143 3E2M E2M 0.002631 0.45406 4.32432
144 5IXH OTP 0.004346 0.46281 4.34783
145 4K49 HFQ 0.003385 0.45975 4.41176
146 1JXZ BCA 0.01735 0.41654 4.46097
147 1NZY BCA 0.02946 0.4046 4.46097
148 5FAL COA 0.009051 0.45778 4.53172
149 5FAL SKT 0.009051 0.45778 4.53172
150 4P8K FAD 0.02651 0.43182 4.53172
151 4P8K 38C 0.02721 0.43182 4.53172
152 3TY5 ADP 0.004277 0.42816 4.53172
153 1K0E TRP 0.005416 0.42317 4.53172
154 1J39 UPG 0.01443 0.42066 4.53172
155 2GKS ADP 0.01047 0.41879 4.53172
156 4QAC KK3 0.01485 0.4173 4.53172
157 4ZAC 4LU 0.0198 0.41726 4.53172
158 4Q0L V14 0.02246 0.40667 4.53172
159 3A7R LAQ 0.03978 0.40552 4.53172
160 5V1B 8UY 0.002826 0.42289 4.58333
161 5DQ8 FLF 0.02116 0.40653 4.58333
162 3L9R L9Q 0.01227 0.43047 4.59364
163 3L9R L9R 0.03129 0.41209 4.59364
164 5W10 CMP 0.01893 0.40244 4.61538
165 5LYH 7B8 0.01176 0.42909 4.66321
166 5AGR A52 0.01291 0.40686 4.74138
167 2GC0 PAN 0.002218 0.44655 4.78723
168 5G5G MCN 0.02938 0.41356 4.80349
169 4XTX 590 0.01465 0.42289 4.81482
170 3LVW GSH 0.01032 0.43664 4.83384
171 4BVA T3 0.01921 0.42537 4.83384
172 3E9I XAH 0.01674 0.41862 4.83384
173 4HWT 1B2 0.01219 0.41195 4.83384
174 4R1S NAP 0.02548 0.40659 4.83384
175 2X6T NAP 0.03339 0.40418 4.83384
176 5N2F 8HW 0.0133 0.41521 4.83871
177 3JUQ AJD 0.02465 0.40164 4.86486
178 3JUQ AKD 0.02639 0.40164 4.86486
179 1HXD BTN 0.003504 0.44076 4.98442
180 3TTZ 07N 0.01104 0.40588 5.05051
181 5A89 ADP 0.002437 0.47625 5.12821
182 5A89 FMN 0.002437 0.47625 5.12821
183 4WOE ADP 0.002896 0.45195 5.13595
184 1I1E DM2 0.0007468 0.449 5.13595
185 1V47 ADX 0.01085 0.4163 5.13595
186 2Z23 LYS LYS LYS 0.02775 0.40195 5.13595
187 4MVK ACE VAL PHE PHE ALA GLU ASP NH2 0.003526 0.44761 5.31915
188 4IAW LIZ 0.006746 0.41379 5.31915
189 2Z6D FMN 0.01897 0.40239 5.38462
190 3Q60 ATP 0.004827 0.42782 5.43807
191 1PI5 SM2 0.03988 0.41096 5.43807
192 5UXH GFB 0.01509 0.40913 5.43807
193 1CKM GTP 0.02086 0.40207 5.45455
194 1O44 852 0.0004213 0.51227 5.55556
195 4LCN GNG 0.01137 0.40525 5.58376
196 5F7J ADE 0.01951 0.40353 5.625
197 4LJ3 C2E 0.02784 0.40045 5.73477
198 5LRT ADP 0.002632 0.45405 5.74018
199 2WSA MYA 0.01958 0.44995 5.74018
200 2WSA 646 0.01958 0.44995 5.74018
201 1PK8 ATP 0.003407 0.44837 5.74018
202 4GID 0GH 0.01384 0.44328 5.74018
203 4B74 1LH 0.006519 0.42733 5.74018
204 1VRP ADP 0.004463 0.42726 5.74018
205 2E5A LAQ 0.02302 0.41017 5.74018
206 5D48 L96 0.01178 0.42246 5.92105
207 1NCQ W11 0.0004198 0.48439 5.9322
208 3TWO NDP 0.006678 0.44661 6.0423
209 1WOR RED 0.006424 0.43737 6.0423
210 3CBC DBS 0.0008318 0.41127 6.06061
211 2AG4 LP3 0.001175 0.50679 6.09756
212 2AG4 OLA 0.001062 0.50679 6.09756
213 1IOW ADP 0.002403 0.46753 6.20915
214 1IOW PHY 0.002403 0.46753 6.20915
215 5ECP ATP 0.02115 0.42408 6.27803
216 5ECP MET 0.02116 0.42313 6.27803
217 5ECP JAA 0.02116 0.42313 6.27803
218 3LOO B4P 0.04216 0.40417 6.34441
219 4PZV J1D 0.02585 0.4021 6.34441
220 4EN4 ATP 0.03023 0.41386 6.41026
221 4EN4 GT1 0.03023 0.41386 6.41026
222 4EN4 GT0 0.03023 0.41386 6.41026
223 3FIU AMP 0.009436 0.40679 6.4257
224 4USI ATP 0.01079 0.41814 6.49351
225 3EM0 CHD 0.01192 0.44449 6.52174
226 5LUN ARG 0.005968 0.43753 6.53409
227 5LUN OGA 0.005968 0.43753 6.53409
228 2I8T GDD 0.01997 0.4107 6.58683
229 4P25 FUC GAL NAG FUC 0.003611 0.42412 6.62252
230 3JU6 ANP 0.0008873 0.44463 6.64653
231 2PNC CLU 0.0005579 0.43253 6.64653
232 2VQD AP2 0.01726 0.4062 6.64653
233 4X6F 3XU 0.01012 0.44023 6.66667
234 1NE6 SP1 0.01673 0.40132 6.71378
235 3FW4 CAQ 0.01099 0.42252 6.74157
236 1ZNY GDP 0.007526 0.4033 6.76329
237 3THR C2F 0.01287 0.40694 6.82594
238 1RYA GDP 0.02226 0.40827 6.875
239 2TPI ILE VAL 0.01205 0.41032 6.89655
240 1GT4 UNA 0.002171 0.4448 6.91824
241 4J7U NAP 0.04871 0.40705 6.94444
242 4J7U YTZ 0.04871 0.40705 6.94444
243 1M0W ANP 0.0009016 0.46101 6.94864
244 4M20 COA 0.002704 0.4518 7.08661
245 4WVO 3UZ 0.01232 0.42286 7.18232
246 5E89 TD2 0.01514 0.40347 7.19424
247 2BKK ADP 0.005624 0.42005 7.19697
248 2GJP BGC GLC DAF GLC GLC GLC DAF 0.01636 0.44351 7.25076
249 5VNF VAL THR SER VAL VAL 0.004115 0.42142 7.25076
250 4XYM A12 0.003793 0.43711 7.3913
251 2A8Y MTA 0.01582 0.4081 7.40741
252 4Z9D NAD 0.01393 0.41087 7.42857
253 5F7N NAG GAL FUC FUC A2G 0.02512 0.40273 7.5
254 5F7Y GLC GAL NAG GAL FUC A2G 0.013 0.40242 7.5
255 5XLY C2E 0.01899 0.40054 7.5188
256 4JD3 PLM 0.04024 0.41241 7.55287
257 4JD3 COA 0.03752 0.41241 7.55287
258 1TMM APC 0.04791 0.40215 7.59494
259 1TMM HHR 0.04597 0.40215 7.59494
260 3PDT ADP 0.001422 0.4514 7.63636
261 5ALC TIQ 0.0277 0.406 7.69231
262 5FI4 5XV 0.001028 0.473 7.85498
263 5DXT 5H5 0.0008846 0.46839 7.85498
264 3JQ3 ADP 0.001294 0.44816 7.85498
265 5LXT GTP 0.02383 0.44038 7.85498
266 5LXT ACP 0.005689 0.43381 7.85498
267 4PZ6 GMP 0.0009087 0.4241 7.85498
268 4H1V GNP 0.007101 0.42166 7.85498
269 3TII ANP 0.01181 0.40211 7.85498
270 2OQ2 A3P 0.01682 0.40845 8.04598
271 3SAO DBH 0.0000043 0.47748 8.125
272 3VOT ADP 0.0004927 0.46824 8.1571
273 5DJT FMN 0.01719 0.40453 8.19672
274 5DZT AMP 0.0009517 0.43537 8.45921
275 1JJE BYS 0.008402 0.42183 8.55856
276 2YKL NLD 0.001427 0.44881 8.7963
277 1JG3 ADN 0.01844 0.40301 8.93617
278 2X32 OTP 0.01839 0.43261 8.93855
279 5D9G GLU ASN LEU TYR PHE GLN 0.003933 0.42235 8.94309
280 2QTR NXX 0.01591 0.42564 8.99471
281 2AQX ATP 0.007636 0.42568 8.99654
282 5KTC COA 0.04914 0.40155 9.04255
283 5KTC FUH 0.04914 0.40155 9.04255
284 2CUL FAD 0.04353 0.40342 9.05172
285 3H9R TAK 0.0003339 0.47325 9.17431
286 2RKV COA 0.01912 0.42032 9.36556
287 5HR5 FLC 0.02901 0.40854 9.36556
288 4DSU BZI 0.0000417 0.47473 9.52381
289 5MW4 5JU 0.04907 0.4052 9.66767
290 4RT1 C2E 0.009855 0.41262 9.82143
291 5DYO FLU 0.0004791 0.4325 9.90566
292 1CLU DBG 0.003585 0.46627 10.241
293 4H6B 10X 0.007299 0.41457 10.2564
294 1M5W DXP 0.04139 0.4036 10.2881
295 4RYV ZEA 0.004061 0.42437 10.3226
296 3TDV GDP 0.01716 0.40272 10.4575
297 3AD8 FAD 0.02054 0.44233 10.574
298 3AD8 PYC 0.02054 0.44233 10.574
299 1PJS SAH 0.005181 0.4323 10.574
300 2I6A 5I5 0.01624 0.40922 10.7246
301 3NZ1 3NY 0.0004246 0.42453 10.728
302 5NCY 8TK 0.002184 0.46432 10.8761
303 2I0D MUT 0.006731 0.46763 11.1111
304 2FTB OLA 0.04306 0.40267 11.2
305 4AVB CMP 0.003154 0.43218 11.4804
306 1KGI T4A 0.004853 0.43896 11.811
307 1JPA ANP 0.0000001906 0.47628 11.859
308 1CBK ROI 0.005187 0.40218 11.875
309 5L2J 70E 0.003463 0.48505 12.2449
310 5L2J 6UL 0.003275 0.48505 12.2449
311 5IOK ACE GLN THR ALA ARG KCR SER THR 0.02933 0.40594 12.6761
312 4AZT LY2 0.0008229 0.45758 12.6888
313 4YEF 4CQ 0.004015 0.45336 13.4831
314 4R38 RBF 0.0008012 0.47263 13.5714
315 4AZW ATP 0.00328 0.44219 13.8973
316 3CIP ATP 0.03206 0.41698 14.0625
317 4XIZ LPP 0.0202 0.41795 14.2857
318 3VZ3 NAP 0.03574 0.40377 14.5015
319 3VZ3 SSN 0.04536 0.40246 14.5015
320 5COU ATP 0.009281 0.4139 14.7059
321 3RUG DB6 0.03832 0.41517 15.1515
322 3H0L ADP 0.0008324 0.45441 15.9574
323 5ETR 5RW 0.02494 0.41424 16.1491
324 5ETR APC 0.02494 0.41424 16.1491
325 3EFS BTN 0.005773 0.42807 17.1674
326 3MTX PGT 0.02682 0.41467 17.8808
327 4TW7 37K 0.007108 0.43366 18.75
328 5HWV MBN 0.002324 0.4267 20
329 4L9I 8PR 0.003534 0.43445 22.3565
330 1WN3 HXC 0.009463 0.42583 25
331 4XT2 43L 0.01476 0.41294 25.6198
332 5UKL SIX 0.002957 0.45462 29.003
Pocket No.: 5; Query (leader) PDB : 4KBA; Ligand: 1QM; Similar sites found: 29
This union binding pocket(no: 5) in the query (biounit: 4kba.bio3) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4UWJ 7L5 0.02183 0.42793 1.51057
2 4UWJ MYA 0.02183 0.42793 1.51057
3 4K26 SFF 0.0309 0.40463 1.81159
4 5JAQ NAI 0.02395 0.4102 1.81269
5 3IU9 T07 0.02489 0.40746 2.08333
6 5LLT DND 0.01903 0.40682 2.34742
7 4L2I NAD 0.02885 0.41043 2.41692
8 4Y2H 49K 0.02507 0.4092 2.41692
9 4L2I FAD 0.02113 0.40899 2.41692
10 2JL1 NAP 0.04671 0.40199 2.43902
11 1GY8 NAD 0.01178 0.41696 2.71903
12 2C6Q NDP 0.0409 0.40106 3.02115
13 4G6I RS3 0.02235 0.40455 3.80952
14 4NJH SAM 0.01274 0.4153 3.91304
15 4NJH 2K8 0.01274 0.4153 3.91304
16 1I7L ATP 0.00951 0.41177 4.20712
17 3LJU IP9 0.03952 0.40247 4.22961
18 1PN4 HDC 0.01856 0.40232 4.28571
19 2C94 TSF 0.007325 0.4294 6.25
20 2BSA NAP 0.02465 0.41854 6.60066
21 2BSA FAD 0.02386 0.41854 6.60066
22 3HUJ AGH 0.04339 0.40214 8.13397
23 2GAG FOA 0.0119 0.43081 10.574
24 2GAG FAD 0.0119 0.43081 10.574
25 1EFV AMP 0.03202 0.41605 10.574
26 1EFV FAD 0.03202 0.41605 10.574
27 4WUP 3UF 0.02133 0.42105 10.7692
28 4N1T 2GD 0.01356 0.41517 17.6101
29 3FC2 IBI 0.03738 0.41617 29.2537
Pocket No.: 6; Query (leader) PDB : 4KBA; Ligand: 1QM; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 4kba.bio2) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 4KBA; Ligand: 1QM; Similar sites found: 2
This union binding pocket(no: 7) in the query (biounit: 4kba.bio6) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4HIA FMN 0.01594 0.41397 7.38636
2 4MNS 2AX 0.02598 0.41435 8.1761
Pocket No.: 8; Query (leader) PDB : 4KBA; Ligand: 1QM; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 4kba.bio6) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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