Receptor
PDB id Resolution Class Description Source Keywords
3F7Z 2.4 Å EC: 2.7.11.26 X-RAY CO-CRYSTAL STRUCTURE OF GLYCOGEN SYNTHASE KINASE 3BETA COMPLEX WITH AN INHIBITOR HOMO SAPIENS ENZYME PROTEIN KINASE INHIBITOR CO-CRYSTAL STRUCTURE ATP-KINASE NUCLEOTIDE-BINDING PHOSPHOPROTEIN SERINE/THREONINKINASE TRANSFERASE WNT SIGNALING PATHWAY
Ref.: DESIGN, SYNTHESIS AND STRUCTURE-ACTIVITY RELATIONSH 1,3,4-OXADIAZOLE DERIVATIVES AS NOVEL INHIBITORS OF SYNTHASE KINASE-3BETA. BIOORG.MED.CHEM. V. 17 2017 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
34O A:3000;
B:3000;
Valid;
Valid;
none;
none;
ic50 = 65 nM
360.36 C17 H13 F N2 O4 S COc1c...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3F7Z 2.4 Å EC: 2.7.11.26 X-RAY CO-CRYSTAL STRUCTURE OF GLYCOGEN SYNTHASE KINASE 3BETA COMPLEX WITH AN INHIBITOR HOMO SAPIENS ENZYME PROTEIN KINASE INHIBITOR CO-CRYSTAL STRUCTURE ATP-KINASE NUCLEOTIDE-BINDING PHOSPHOPROTEIN SERINE/THREONINKINASE TRANSFERASE WNT SIGNALING PATHWAY
Ref.: DESIGN, SYNTHESIS AND STRUCTURE-ACTIVITY RELATIONSH 1,3,4-OXADIAZOLE DERIVATIVES AS NOVEL INHIBITORS OF SYNTHASE KINASE-3BETA. BIOORG.MED.CHEM. V. 17 2017 2009
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 3F7Z ic50 = 65 nM 34O C17 H13 F N2 O4 S COc1ccc(cc....
2 3GB2 ic50 = 210 nM G3B C18 H14 N2 O3 S Cc1nnc(o1)....
3 5K5N ic50 = 466 nM 6QH C16 H16 Cl N5 O3 COc1ccc(cc....
70% Homology Family (18)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4PTE ic50 = 74 nM 2WF C18 H15 N3 O c1cc(cc2c1....
2 1PYX - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
3 1Q5K Ki = 38 nM TMU C12 H12 N4 O4 S COc1ccc(cc....
4 3I4B Ki = 7 nM Z48 C24 H23 N5 O2 Cc1cnc(nc1....
5 1Q3D ic50 = 15 nM STU C28 H26 N4 O3 C[C@@]12[C....
6 1J1B - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
7 1Q3W ic50 = 4 nM ATU C16 H11 N3 O3 c1ccc2c(c1....
8 1R0E - DFN C22 H20 F N3 O4 Cn1cc(c2c1....
9 4PTG ic50 = 5.9 nM 2WG C15 H15 N5 O3 COc1c(cnc(....
10 2JLD ic50 < 0.04 nM AG1 C27 H17 F N4 O7 Ru C[C@@H](C(....
11 4ACC Ki = 20 nM 7YG C20 H23 N7 O3 S CN(C)CCNS(....
12 3DU8 ic50 = 0.146 uM 553 C13 H14 F N5 O c1cnc(nc1c....
13 1J1C - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
14 5HLP ic50 = 0.054 uM 65A C20 H21 N3 O2 Cc1c2c(c3c....
15 1Q41 ic50 = 22 nM IXM C16 H11 N3 O2 c1ccc2c(c1....
16 3F7Z ic50 = 65 nM 34O C17 H13 F N2 O4 S COc1ccc(cc....
17 3GB2 ic50 = 210 nM G3B C18 H14 N2 O3 S Cc1nnc(o1)....
18 5K5N ic50 = 466 nM 6QH C16 H16 Cl N5 O3 COc1ccc(cc....
50% Homology Family (18)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4PTE ic50 = 74 nM 2WF C18 H15 N3 O c1cc(cc2c1....
2 1PYX - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
3 1Q5K Ki = 38 nM TMU C12 H12 N4 O4 S COc1ccc(cc....
4 3I4B Ki = 7 nM Z48 C24 H23 N5 O2 Cc1cnc(nc1....
5 1Q3D ic50 = 15 nM STU C28 H26 N4 O3 C[C@@]12[C....
6 1J1B - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
7 1Q3W ic50 = 4 nM ATU C16 H11 N3 O3 c1ccc2c(c1....
8 1R0E - DFN C22 H20 F N3 O4 Cn1cc(c2c1....
9 4PTG ic50 = 5.9 nM 2WG C15 H15 N5 O3 COc1c(cnc(....
10 2JLD ic50 < 0.04 nM AG1 C27 H17 F N4 O7 Ru C[C@@H](C(....
11 4ACC Ki = 20 nM 7YG C20 H23 N7 O3 S CN(C)CCNS(....
12 3DU8 ic50 = 0.146 uM 553 C13 H14 F N5 O c1cnc(nc1c....
13 1J1C - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
14 5HLP ic50 = 0.054 uM 65A C20 H21 N3 O2 Cc1c2c(c3c....
15 1Q41 ic50 = 22 nM IXM C16 H11 N3 O2 c1ccc2c(c1....
16 3F7Z ic50 = 65 nM 34O C17 H13 F N2 O4 S COc1ccc(cc....
17 3GB2 ic50 = 210 nM G3B C18 H14 N2 O3 S Cc1nnc(o1)....
18 5K5N ic50 = 466 nM 6QH C16 H16 Cl N5 O3 COc1ccc(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 34O; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 34O 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3F7Z; Ligand: 34O; Similar sites found: 360
This union binding pocket(no: 1) in the query (biounit: 3f7z.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4OUJ LBT 0.001723 0.45082 1.30293
2 5TT6 ATP 0.0006156 0.42762 1.42857
3 1VRP IOM 0.01201 0.40866 1.42857
4 3S6X SIA GAL BGC 0.005706 0.43486 1.53846
5 2PUL ACP 0.000001027 0.5762 1.71429
6 2CFM AMP 0.00006469 0.51491 1.71429
7 1CKN GTP 0.01425 0.40672 1.81818
8 3AKK ADP 0.0002191 0.45942 1.84615
9 5DZT AMP 0.0001099 0.52031 2
10 5NCY 8TK 0.00002995 0.43423 2
11 1U6R IOM 0.006953 0.4244 2
12 3W0O ADP 0.00002254 0.43859 2.00573
13 3W0O HY0 0.00002254 0.43859 2.00573
14 3VPC ADP 0.0001958 0.44808 2.12766
15 4GYI ADP 0.00004164 0.51717 2.28571
16 5VZ0 ADP 0.0005054 0.45621 2.28571
17 2YRX AMP 0.00262 0.45085 2.28571
18 3T1A 5MA 0.004238 0.40559 2.28571
19 3BF1 PAU 0.0128 0.40082 2.40964
20 2AQX ATP 0.0005657 0.42979 2.42215
21 1TZD ADP 0.00001984 0.55422 2.54545
22 2IF8 ADP 0.00002796 0.54799 2.57143
23 4OCJ NDG 0.00002167 0.54461 2.57143
24 1W2D ADP 0.00006296 0.51547 2.64151
25 1W2D 4IP 0.0006378 0.40439 2.64151
26 4OCV ANP 0.00004043 0.49057 2.85714
27 3ETH ATP 0.001363 0.43884 2.85714
28 3VSV XYS 0.01652 0.41014 2.85714
29 1EHI ADP 0.003457 0.4097 2.85714
30 1I7L ATP 0.0002457 0.43271 2.91262
31 5GZ9 ANP 0.0000008662 0.5834 2.95082
32 4WW7 AMP 0.0000001561 0.61376 3.20856
33 5K2M ADP 0.00149 0.44079 3.2967
34 2OVD DAO 0.01716 0.4095 3.2967
35 2BVE PH5 0.01495 0.40784 3.36134
36 5TDF ADP 0.002229 0.42744 3.39506
37 3X01 AMP 0.0002024 0.50709 3.42857
38 3TY5 ATP 0.001968 0.44385 3.42857
39 2QK4 ATP 0.0002175 0.43701 3.42857
40 3TY5 ADP 0.002642 0.42844 3.42857
41 4N9Z V3L 0.004879 0.41556 3.42857
42 3BP1 GUN 0.01762 0.40944 3.44828
43 3PN1 IVH 0.0002544 0.43121 3.45912
44 3RE4 TO1 0.0000002405 0.63128 3.48837
45 1ZP9 ATP 0.0000009239 0.58612 3.48837
46 1ZTH ADP 0.0000003356 0.55076 3.48837
47 5W2I ADP 0.00006034 0.4496 3.50195
48 5W2I I3P 0.00006034 0.4496 3.50195
49 3I0O ADP 0.0002974 0.48317 3.53982
50 1OBD ATP 0.00255 0.43366 3.59477
51 3WVR AMP 0.000134 0.48753 3.71429
52 2VQD AP2 0.001599 0.41872 3.71429
53 4LH7 1X8 0.000615 0.47806 3.71517
54 2QX0 PH2 0.001796 0.46002 3.77358
55 4CC6 L5Y 0.001935 0.44946 3.77358
56 2D6M LBT 0.02659 0.41297 3.77358
57 4XYM A12 0.00147 0.42518 3.91304
58 4FE2 ADP 0.01038 0.4051 3.92157
59 3AB4 THR 0.007988 0.41465 3.93258
60 2DTJ THR 0.008249 0.41398 3.93258
61 5MW8 ATP 0.00002244 0.52032 4
62 2VPQ ANP 0.000477 0.46107 4
63 4U98 ACP 0.0009391 0.44421 4
64 4ANW O92 0.00001888 0.43558 4
65 1NU4 MLA 0.001378 0.41922 4.12371
66 4R78 AMP 0.000001971 0.59651 4.20712
67 3U1T MLI 0.027 0.40134 4.20712
68 2GQS ADP 0.004473 0.41396 4.21941
69 2GQR ADP 0.005353 0.40284 4.21941
70 3UDZ ADP 0.000005991 0.5382 4.28571
71 4Y3O OGA 0.01673 0.40599 4.28571
72 4RDL FUC GAL NDG FUC 0.01032 0.42093 4.54545
73 5I35 ANP 0.000001367 0.57066 4.57143
74 4GLW 0XT 0.01007 0.41417 4.59016
75 1XDN ATP 0.009508 0.403 4.69314
76 4LRJ ANP 0.0001535 0.47927 4.73373
77 3SJK LYS PRO VAL LEU ARG THR ALA 0.009751 0.42537 4.73684
78 5IGI GMP 0.0007631 0.47048 4.98339
79 5IGI ZIT 0.0008112 0.47048 4.98339
80 5DXT 5H5 0.002902 0.41249 5.14286
81 1PK8 ATP 0.0001353 0.43695 5.21327
82 3PNA CMP 0.01804 0.40165 5.84416
83 1S68 AMP 0.0001536 0.43133 6.0241
84 3TII ANP 0.0003088 0.48239 6.28571
85 4UWH JXM 0.0002238 0.47736 6.28571
86 4I94 ANP 0.0000008177 0.56468 6.33333
87 3HAV ATP 0.00002628 0.55281 6.35452
88 2WT9 NIO 0.01874 0.40634 6.38298
89 4AZW ATP 0.0002442 0.46983 6.57143
90 4AZT LY2 0.0007905 0.46284 6.57143
91 4O1P ANP 0.00000005419 0.62444 6.85714
92 5FI4 5XV 0.001305 0.44337 7.14286
93 1M0W ANP 0.00104 0.42697 7.42857
94 5C1P ADP 0.0009692 0.4533 7.51634
95 2IO8 ADP 0.0004539 0.42024 7.71429
96 3K5I ADP 0.002592 0.40871 7.71429
97 4OAV ACP 0.000000006672 0.67368 8
98 2YW2 ATP 0.001098 0.42416 8
99 5IQD RIO 0.00001668 0.54997 8.19672
100 5IQD GNP 0.00001549 0.54997 8.19672
101 3VOT ADP 0.0001222 0.50168 8.57143
102 4Q5H ANP 0.00004112 0.49893 8.62069
103 3OCP CMP 0.01302 0.40444 8.63309
104 3TDV GDP 0.00001485 0.5182 8.82353
105 3SK2 GRI 0.01864 0.40774 9.09091
106 5LXT ACP 0.001733 0.40601 9.09091
107 4L2I NAD 0.01637 0.41626 9.88593
108 4DFU QUE 0.0007106 0.47706 10.559
109 4ZS4 ATP 0.0001125 0.47181 10.7492
110 5C4L 4XR 0.00005176 0.51753 10.9034
111 5C4L SIS 0.0007028 0.4653 10.9034
112 1CBK ROI 0.007695 0.42564 11.25
113 1TQP ATP 0.00002142 0.4686 11.3475
114 3Q60 ATP 0.000252 0.46968 11.4286
115 3PDT ADP 0.0001583 0.48422 12
116 2BKK ADP 0.000003042 0.57027 12.1212
117 3TM0 ANP 0.00002182 0.4235 12.1673
118 3TM0 B31 0.00002372 0.4174 12.1673
119 5CKW ANP 0.000003111 0.57802 12.2857
120 3VPB ADP 0.00003808 0.45306 12.5
121 2PYW ADP 0.000001201 0.54302 13.1429
122 1IA9 ANP 0.0000689 0.48072 13.2143
123 5KBE IPH 0.01853 0.40538 13.5371
124 4OUC 5ID 0.0000006064 0.59446 14.2857
125 2X2M X2M 0.00000006404 0.5819 17.1975
126 2PVF ACP 0.00000005741 0.63202 17.9641
127 5DMZ ADP 0.0000003862 0.58727 18.2857
128 3GQI ACP 0.00000008726 0.61542 18.4049
129 4K33 ACP 0.0000003892 0.59028 18.4615
130 4CYI ATP 0.000006909 0.53816 18.8571
131 5H4I 7HQ 0.00639 0.43326 18.8679
132 3RI1 3RH 0.00000007257 0.53962 19.1693
133 5UR1 YY9 0.0000001024 0.66116 19.2926
134 4XH0 ADP 0.00000007466 0.68396 20.2857
135 3KMW ATP 0.00002858 0.51181 20.6642
136 4ASE AV9 0.0000001907 0.51209 21.4286
137 4G17 0VN 0.0000001245 0.58837 21.8182
138 5W4W 9WG 0.0000006408 0.4825 22.3565
139 4AG8 AXI 0.0000005801 0.45045 23.7342
140 4WOV 3SM 0.000001501 0.58459 23.9748
141 5VC5 96M 0.00000005511 0.53424 24.2215
142 3VHE 42Q 0.000002994 0.46379 24.5125
143 5KO1 6UY 0.000001165 0.57375 24.735
144 4IX4 ADP 0.00000006073 0.62888 25.1429
145 4P5Z Q7M 0.0000001883 0.45769 25.7143
146 2PZI AXX 0.000001343 0.58685 26
147 3FHR P4O 0.0000001625 0.58978 26.5714
148 3PP0 03Q 0.00000208 0.49134 26.5714
149 5C03 AGS 0.0000006983 0.57606 26.8571
150 5T8O 76Z 0.0000001143 0.58442 26.9341
151 2WU6 DKI 0.00000004937 0.57745 27.1429
152 4Y93 746 0.00000196 0.49848 27.4286
153 3C1X CKK 0.00003271 0.47545 27.4286
154 4E93 GUI 0.0000000828 0.49812 28
155 3KRL KRL 0.0000004634 0.5468 28.0597
156 3H9R TAK 0.000007169 0.56896 28.1818
157 1JPA ANP 0.00000002416 0.70216 28.2051
158 5U6C 7YS 0.00000002846 0.59723 28.254
159 4IDT T28 0.000000008002 0.67016 28.5714
160 2H8H H8H 0.00000008109 0.61681 28.5714
161 1Y57 MPZ 0.000000188 0.55318 28.5714
162 4NFN 2KC 0.0000003507 0.59699 28.8026
163 2R5T ANP 0.00000005886 0.5817 28.8571
164 4CLI 5P8 0.0000003783 0.63564 29.052
165 4Y0X ADP 0.0000005341 0.59697 29.0667
166 5LI1 ANP 0.000000006241 0.61968 29.1429
167 4F9C 0SX 0.0000004628 0.59162 29.1429
168 5LI9 ACP 0.0000006857 0.56361 29.1429
169 4DC2 ADE 0.000000004296 0.54894 29.1429
170 4Y85 499 0.0000002038 0.6075 29.2169
171 4YZC STU 0.0000000009369 0.74806 29.4286
172 4L9I 8PR 0.00008173 0.49147 29.4286
173 5HCY 60D 0.000000283 0.43578 29.6073
174 4BHN BH9 0.000000005858 0.63475 29.6407
175 3EKK GS2 0.00000005283 0.4795 29.6417
176 2YAB AMP 0.0000000298 0.62045 29.7143
177 3VRY B43 0.000001779 0.49746 29.7143
178 3BU5 ATP 0.0000000547 0.62426 29.7386
179 4FF8 14S 0.0005535 0.4281 30.031
180 5EOB 5QQ 0.000005822 0.59007 30.094
181 4X7Q 3YR 0.000000001781 0.68908 30.1282
182 5MJA 7O3 0.000003592 0.55922 30.1639
183 2Y6O 1N1 0.0000003469 0.55336 30.2405
184 3TXO 07U 0.000000009433 0.6356 30.2857
185 4M69 ANP 0.000001083 0.5456 30.3514
186 5JFS 6K0 0.0000002698 0.63782 30.5195
187 1BYG STU 0.00000002321 0.6591 30.5755
188 3NW7 LGV 0.00001295 0.56482 30.6189
189 5NKB 8ZT 0.0000001264 0.44885 30.719
190 1XJD STU 0.000000005261 0.6524 30.7246
191 1OPK P16 0.000007279 0.44396 30.8571
192 5DBX ANP 0.00001089 0.49943 31.0976
193 5UKL SIX 0.000008612 0.54765 31.1429
194 3PVW QRX 0.000003949 0.48118 31.1429
195 4Y8D 49J 0.0000002065 0.59912 31.1765
196 5UIU 8CG 0.000001663 0.58436 31.2694
197 4U44 3D9 0.00000001434 0.64959 31.3253
198 1VJY 460 0.0000001338 0.49521 31.3531
199 1K3A ACP 0.0000001051 0.63855 31.4381
200 4JDI ANP 0.0000002043 0.57347 31.5029
201 2OO8 RAJ 0.0005592 0.42789 31.5457
202 4YMJ 4EJ 0.00000001235 0.72628 31.5789
203 1U5R ATP 0.00000005914 0.62278 31.6092
204 2XVD AS6 0.0000004991 0.49763 31.7881
205 3LXK MI1 0.0000001485 0.52399 31.8043
206 5LPZ ADP 0.000000001824 0.68862 32.2289
207 5M06 ADP 0.000002271 0.5683 32.2464
208 5MY8 RXZ 0.000002787 0.4912 32.2857
209 4EUU BX7 0.000000004464 0.5751 32.2884
210 5CEO 50D 0.0000009697 0.56985 32.3333
211 4OH4 ANP 0.00000001609 0.64742 32.4324
212 4AT3 LTI 0.000002011 0.47178 32.4415
213 5IH9 6BF 0.00000001405 0.49823 32.5373
214 3V8S 0HD 0.00000002149 0.65103 32.5714
215 4QMN DB8 0.00000001613 0.49544 32.5806
216 4BFM ANP 0.000000003924 0.64205 32.6347
217 1U59 STU 0.000000004161 0.67302 32.7526
218 5JKG 6LF 0.000001457 0.59986 32.7974
219 3UIM ANP 0.00000006527 0.62092 32.8221
220 3LXN MI1 0.0000000441 0.601 33.0189
221 4JR7 GNP 0.00000002531 0.63885 33.1429
222 5TA6 79D 0.00000007624 0.52927 33.1429
223 4WB7 ATP 0.00000009687 0.47205 33.1429
224 3PLS ANP 0.00000002494 0.64816 33.2215
225 3KN5 ANP 0.00000002923 0.603 33.2308
226 4WB6 ATP 0.00000006233 0.53914 33.4286
227 2J7T 274 0.01566 0.42814 33.4437
228 5HES 032 0.000000411 0.5951 33.8762
229 3FHI ANP 0.00000004595 0.64855 34
230 2F57 23D 0.00000004958 0.64406 34.0694
231 5AX9 4KT 0.000000006625 0.66421 34.0909
232 3DAK ANP 0.0000004199 0.60174 34.1379
233 3GGF GVD 0.00000000635 0.68477 34.2193
234 4FL3 ANP 0.00000002871 0.59587 34.2857
235 5DH3 5BS 0.0000001875 0.57564 34.2857
236 2OFV 242 0.0000009726 0.45593 34.296
237 4OTH DRN 0.0000000002553 0.67212 34.3109
238 4E1Z 0MX 0.0000005325 0.53872 34.3643
239 3ORK AGS 0.000002654 0.49514 34.4051
240 1RE8 BD2 0.0000001572 0.657 34.5714
241 2QCS ANP 0.00000004168 0.65047 34.5714
242 3IDB ANP 0.00000001517 0.59178 34.5714
243 4GJ3 0XP 0.00000001569 0.52701 34.7682
244 3IGO ANP 0.0000009252 0.53817 34.8571
245 5USZ SKE 0.000000236 0.5139 34.9481
246 3GNI ATP 0.000002529 0.52899 35.1429
247 3AQV TAK 0.0000007263 0.57532 35.1449
248 3G5D 1N1 0.000000314 0.409 35.3147
249 4G31 0WH 0.000001372 0.44982 35.4515
250 5HVJ ANP 0.0000002692 0.65419 35.5556
251 2WQN ADP 0.000002341 0.57558 35.8064
252 4U0I 0LI 0.00001849 0.43254 35.873
253 4XV1 904 0.00000002847 0.67224 35.9589
254 3HZT J60 0.0000000612 0.65974 36
255 5LPB ADP 0.00000006071 0.65991 36.1486
256 5TO8 7FM 0.00000009078 0.46444 36.1702
257 2GU8 796 0.00000004551 0.40912 36.2018
258 5VCV 1N1 0.00000003595 0.57137 36.3344
259 4I6H 1C8 0.000001095 0.56755 36.3636
260 5UOX 8GY 0.00000001235 0.60923 36.5314
261 4TWP AXI 0.0000001005 0.43174 36.5314
262 3C0G 3AM 0.00000009867 0.63983 36.5714
263 2A19 ANP 0.0000000004624 0.76136 36.6197
264 2X4Z X4Z 0.0000004497 0.46245 36.8243
265 4A4X JUP 0.00000008839 0.53559 36.9176
266 4XLI 1N1 0.0000007654 0.58188 36.9403
267 3SXS PP2 0.0000005722 0.55598 36.9403
268 5JZJ AN2 0.0000001033 0.62065 37.7104
269 4USF 6UI 0.000003051 0.56142 37.8289
270 3SLS ANP 0.000001289 0.53261 37.8289
271 2YAK OSV 0.00000008844 0.51129 37.8947
272 4WNK 453 0.0000002889 0.49561 38
273 2Z7R STU 0.0000000003361 0.66731 38.0062
274 5FBN 5WF 0.000001039 0.60153 38.0074
275 4FG8 ATP 0.000001927 0.536 38.0952
276 4BKJ STI 0.0002016 0.42848 38.0952
277 2RIO ADP 0.0000004256 0.59324 38.2857
278 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.00000001981 0.40415 38.3041
279 2JDR L20 0.00000001981 0.40415 38.3041
280 4YZN 4K5 0.000000001135 0.63436 38.3275
281 4N70 2HX 0.000000001283 0.45733 38.4146
282 3DLS ADP 0.0000000139 0.62693 38.5075
283 2HK5 1BM 0.000002063 0.56132 38.5185
284 2WEL K88 0.0000001013 0.5315 38.5321
285 3HMO STU 0.000000008092 0.66994 38.5965
286 1ZY5 ANP 0.0000003396 0.57975 38.6139
287 4NW6 2NS 0.00000001267 0.51926 38.6997
288 4CRL C1I 0.000000002174 0.53453 38.8571
289 3TKI S25 0.000000001506 0.76416 39.0093
290 2HY0 306 0.00000009363 0.6409 39.1304
291 4L3L 5FI 0.00000007335 0.64659 39.1447
292 2VZ6 FEF 0.0000003233 0.61575 39.9361
293 3CY2 MB9 0.0000000003861 0.65295 40.1274
294 2QLU ADE 0.00002105 0.5522 40.1274
295 4CQE CQE 0.0000002586 0.55758 40.2878
296 5DEY 59T 0.0000001697 0.4091 40.404
297 3E8N ATP 0.000001247 0.41307 40.4692
298 3E8N VRA 0.000001247 0.41307 40.4692
299 2ZV2 609 0.0000001463 0.64161 40.604
300 2V7O DRN 0.0000000001476 0.66199 40.7738
301 3M2W L8I 0.000000001207 0.6573 41.1371
302 5HX8 66P 0.0000000479 0.54884 41.3907
303 4IJP 1EH 0.0000000273 0.6442 41.4286
304 4CSV STI 0.00001141 0.48374 41.4545
305 5JGA 6KC 0.0000000892 0.49673 41.5873
306 3SXF BK5 0.000001263 0.4491 41.7143
307 4F4P 0SB 0.0000005774 0.64401 41.7582
308 4WNP 3RJ 0.00000000004736 0.79489 41.8118
309 4EWH T77 0.0000002051 0.51743 41.8182
310 5N87 N66 0.00000008378 0.47867 41.853
311 2VN9 GVD 0.000000005182 0.60647 41.8605
312 3MVH WFE 0.000000006974 0.53757 42.1053
313 5X8I SQZ 0.00000001474 0.64907 42.1965
314 3OFM 4B0 0.00000007268 0.58715 43.1429
315 2WEI VGG 0.000008413 0.54236 43.2056
316 3SRV S19 0.000000003001 0.66717 43.3213
317 3ALN ANP 0.000001879 0.53596 43.4251
318 5L8L ADP 0.0000001876 0.63644 43.5088
319 5G1X ADP 0.0000001761 0.61032 43.5088
320 4C2V YJA 0.000001702 0.47385 43.5088
321 5LXM ADP 0.00000007488 0.62687 43.8163
322 5H2U 1N1 0.00001533 0.51761 44.1948
323 4C2W ANP 0.0000003405 0.54871 44.4444
324 5DA3 58V 0.000001736 0.59016 44.5283
325 3PTG 932 0.0000000005498 0.64138 44.5714
326 3TTI KBI 0.000000174 0.52313 44.5714
327 3PE2 E1B 0.00000008086 0.67089 44.8071
328 4NST ADP 0.000000165 0.60336 44.8571
329 2PVN P63 0.00000005939 0.5243 44.8864
330 5EYK 5U5 0.0000004638 0.50702 44.9275
331 4D2S DYK 0.00000009702 0.64017 45.0704
332 3E7O 35F 0.0000003885 0.47394 45.1429
333 1PHK ATP 0.0000002683 0.59737 45.302
334 5LXC 7AA 0.00000001279 0.63127 45.4286
335 5EFQ ADP 0.00000007947 0.61719 45.5331
336 2XK9 XK9 0.007544 0.45022 45.6522
337 4IZY 1J2 0.00000002726 0.60746 45.7143
338 1Q8Y ADP 0.0000002284 0.60349 45.7143
339 4UX9 ANP 0.0000001014 0.58598 45.7143
340 3GC8 B45 0.00000008413 0.57577 45.7143
341 1Q8Y ADE 0.0000002149 0.54739 45.7143
342 4KS7 X4Z 0.0000001236 0.55988 45.8904
343 1CM8 ANP 0.0000004516 0.59209 46
344 5EKO N17 0.0002809 0.47134 46
345 5AWM ANP 0.000000486 0.61664 46.2857
346 3GC0 AMP 0.0000000009473 0.7341 46.5046
347 5LVP ATP 0.0000002317 0.5656 46.6238
348 4LOO SB4 0.00009183 0.48372 46.8571
349 4YLL 4E3 0.0000007646 0.58582 47.1429
350 5A6N U7E 0.00000003438 0.6365 47.3498
351 3E5A VX6 0.0000002818 0.53158 47.7612
352 4H3P ANP 0.00000007728 0.61772 47.7901
353 4H3Q ANP 0.0000002844 0.60498 48.0663
354 5BYZ 4WE 0.000001418 0.47418 48.2759
355 5BVE 4VG 0.000000006492 0.40422 48.4765
356 4AUA 4AU 0.0000000007779 0.71527 48.5342
357 2B9F ADP 0.00000009453 0.61391 48.5714
358 2B9H ADP 0.00000009443 0.61725 48.8571
359 2B9J ADP 0.000000148 0.61369 48.8571
360 2B9I ADP 0.0000002108 0.59873 48.8571
Pocket No.: 2; Query (leader) PDB : 3F7Z; Ligand: 34O; Similar sites found: 24
This union binding pocket(no: 2) in the query (biounit: 3f7z.bio2) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1CKM GTP 0.009458 0.41552 1.81818
2 1RZ1 NAD 0.006487 0.43185 1.86335
3 3B6R CRN 0.007357 0.42333 2
4 4ZGP ADP 0.003239 0.42022 2.04778
5 3ORQ ADP 0.002034 0.41427 2.28571
6 3V4S ATP 0.002015 0.40863 2.85714
7 5AVF TAU 0.01352 0.40785 3.11284
8 2Z49 AMG 0.01063 0.40102 3.14286
9 4CS9 AMP 0.005926 0.41015 3.1746
10 5COU ATP 0.0007694 0.4374 3.52941
11 4O4F ATP 0.00113 0.40265 4.03226
12 4PU5 ANP 0.001595 0.40709 4.28571
13 4WVW SLT 0.03746 0.40009 4.86111
14 3TPV ADE 0.003391 0.41013 5.14286
15 3DNT ATP 0.001335 0.40571 5.14286
16 2Q7D ANP 0.0009428 0.40949 6.93642
17 3WV6 GAL BGC 0.03309 0.40504 10.473
18 3LQV ADE 0.009382 0.41337 12.1739
19 4HIA FMN 0.01685 0.40612 12.5
20 5JBE MAL 0.02378 0.40121 13.7143
21 4LO2 GAL BGC 0.005555 0.42296 13.8514
22 3SJ0 DXC 0.02545 0.40004 19.7183
23 5ML3 DL3 0.01769 0.40723 22.1477
24 4PZ6 GMP 0.0001799 0.4106 23.8095
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