Receptor
PDB id Resolution Class Description Source Keywords
3ZLS 2.5 Å EC: 2.7.12.2 CRYSTAL STRUCTURE OF MEK1 IN COMPLEX WITH FRAGMENT 6 HOMO SAPIENS TRANSFERASE
Ref.: THE USE OF VIRTUAL SCREENING AND DIFFERENTIAL SCANN FLUORIMETRY FOR THE RAPID IDENTIFICATION OF FRAGMEN ACTIVE AGAINST MEK1. BIOORG.MED.CHEM.LETT. V. 23 3620 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
92P A:1383;
Valid;
none;
ic50 = 39.4 uM
176.172 C9 H8 N2 O2 COC(=...
NA A:1384;
Part of Protein;
none;
submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3E8N 2.5 Å EC: 2.7.12.2 X-RAY STRUCTURE OF THE HUMAN MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1 (MEK1) COMPLEXED WITH A POTENT INHIBITOR R DEA119 AND MGATP HOMO SAPIENS PROTEIN KINASE-LIGAND-MGATP COMPLEX RDEA119 RDEA-119 MEK1 MEK1-RDEA119 COMPLEX ACETYLATION ATP-BINDING DISEASE MUTATION KINASE NUCLEOTIDE-BINDING PHOSPHOPROTEIN SERINE/THREONINE-PROTEIN KINASE TRANSFERASE TYROSINE-PROTEIN KINASE
Ref.: RDEA119/BAY 869766: A POTENT, SELECTIVE, ALLOSTERIC INHIBITOR OF MEK1/2 FOR THE TREATMENT OF CANCER. CANCER RES. V. 69 6839 2009
Members (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3ZLY ic50 = 300 uM YSO C8 H6 N4 c1cc(c2c(c....
2 3ZLS ic50 = 39.4 uM 92P C9 H8 N2 O2 COC(=O)c1c....
3 3ZLW ic50 = 198 uM MT8 C13 H15 N O2 C[C@]1(CCN....
4 3ZLX ic50 = 157 uM 5EZ C14 H15 Cl N2 O2 c1c2c(cc(c....
5 1S9J - BBM C16 H13 Br F3 I N2 O4 c1cc(c(cc1....
6 3EQH - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
7 3E8N ic50 = 19 nM VRA C19 H20 F3 I N2 O5 S COc1cc(c(c....
8 3EQG - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
9 3ZM4 ic50 = 1.1 uM 22T C13 H13 Cl N2 O2 c1c2c(cc(c....
10 3DV3 - MEK C18 H18 F3 I N2 O5 c1cc(c(cc1....
11 3EQD - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
12 3EQC - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
13 3EQI - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
70% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3SLS - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
2 3ZLY ic50 = 300 uM YSO C8 H6 N4 c1cc(c2c(c....
3 3ZLS ic50 = 39.4 uM 92P C9 H8 N2 O2 COC(=O)c1c....
4 3ZLW ic50 = 198 uM MT8 C13 H15 N O2 C[C@]1(CCN....
5 3ZLX ic50 = 157 uM 5EZ C14 H15 Cl N2 O2 c1c2c(cc(c....
6 1S9J - BBM C16 H13 Br F3 I N2 O4 c1cc(c(cc1....
7 3EQH - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
8 3E8N ic50 = 19 nM VRA C19 H20 F3 I N2 O5 S COc1cc(c(c....
9 3EQG - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
10 3ZM4 ic50 = 1.1 uM 22T C13 H13 Cl N2 O2 c1c2c(cc(c....
11 3DV3 - MEK C18 H18 F3 I N2 O5 c1cc(c(cc1....
12 3EQD - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
13 3EQC - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
14 3EQI - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
50% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3ALN - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
2 3ZLY ic50 = 300 uM YSO C8 H6 N4 c1cc(c2c(c....
3 3ZLS ic50 = 39.4 uM 92P C9 H8 N2 O2 COC(=O)c1c....
4 3ZLW ic50 = 198 uM MT8 C13 H15 N O2 C[C@]1(CCN....
5 3ZLX ic50 = 157 uM 5EZ C14 H15 Cl N2 O2 c1c2c(cc(c....
6 1S9J - BBM C16 H13 Br F3 I N2 O4 c1cc(c(cc1....
7 3E8N ic50 = 19 nM VRA C19 H20 F3 I N2 O5 S COc1cc(c(c....
8 3EQG - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
9 3ZM4 ic50 = 1.1 uM 22T C13 H13 Cl N2 O2 c1c2c(cc(c....
10 3DV3 - MEK C18 H18 F3 I N2 O5 c1cc(c(cc1....
11 3EQD - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 92P; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 92P 1 1
2 7CS 0.555556 0.617021
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3E8N; Ligand: ATP; Similar sites found: 371
This union binding pocket(no: 1) in the query (biounit: 3e8n.bio2) has 43 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.01782 0.4613 None
2 1IIU RTL 0.01445 0.40813 None
3 1AUX AGS 0.0002147 0.50501 1.60772
4 3MAG 3MA 0.01101 0.46477 1.62866
5 4Q0A 4OA 0.0004258 0.45351 1.75953
6 3ORQ ADP 0.001846 0.45236 1.75953
7 4Q0A GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 0.001028 0.4391 1.75953
8 2NCD ADP 0.03727 0.41987 1.75953
9 1QD1 FON 0.013 0.40221 1.84615
10 2EB5 OXL 0.01465 0.43162 1.87266
11 3ZGJ RMN 0.01079 0.44255 2.05279
12 1Y42 TYR 0.005977 0.43949 2.05279
13 1PEA ACM 0.01928 0.43711 2.05279
14 1WDA BAG 0.005835 0.43498 2.05279
15 4PU5 ANP 0.004968 0.4261 2.05279
16 2RL1 UD1 0.0006352 0.42414 2.05279
17 2Q7D ANP 0.004768 0.41819 2.05279
18 3UDZ ADP 0.000001796 0.40944 2.05279
19 2XN5 FUN 0.04394 0.40595 2.05279
20 1C1L GAL BGC 0.008788 0.45018 2.18978
21 1FW1 GSH 0.001321 0.44805 2.31481
22 2A2X NA9 0.008113 0.40529 2.3166
23 3SHR CMP 0.003839 0.43814 2.34114
24 3B6R CRN 0.0006093 0.47385 2.34604
25 4P4T GDP 0.002405 0.4252 2.34604
26 4HGD KGT 0.01487 0.42332 2.34604
27 1O0S NAI 0.001402 0.41935 2.34604
28 2IYF UDP 0.01707 0.41689 2.34604
29 5NCY 8TK 0.01823 0.41303 2.34604
30 2Q9U FMN 0.007202 0.40724 2.34604
31 4AVB CMP 0.02212 0.4181 2.4024
32 2WKQ FMN 0.0204 0.40689 2.40964
33 3NFZ 3NF 0.001323 0.45287 2.44648
34 4JWX 1N4 0.002394 0.45759 2.5
35 3PDT ADP 0.0000201 0.567 2.54545
36 1MZV AMP 0.001554 0.45501 2.55319
37 1I7L ATP 0.0004975 0.46677 2.589
38 2XDQ MGX 0.005442 0.47349 2.6393
39 1Q11 TYE 0.006806 0.43691 2.6393
40 1UF5 CDT 0.003454 0.44011 2.64026
41 1ZJ6 G3D 0.02322 0.40077 2.6738
42 3UEC ALA ARG TPO LYS 0.005086 0.46037 2.73973
43 2I7C AAT 0.00006385 0.43145 2.82686
44 4COQ SAN 0.0006362 0.49777 2.83401
45 2Y7G AAE 0.001366 0.4429 2.83688
46 1DBT U5P 0.009446 0.40279 2.92887
47 4GYI ADP 0.0001398 0.53079 2.93255
48 4UWH JXM 0.01236 0.42736 2.93255
49 1P1M MET 0.002324 0.41509 2.93255
50 4L1F COS 0.001873 0.41504 2.93255
51 3K5I ADP 0.01304 0.41308 2.93255
52 4ANW O92 0.00007423 0.41291 2.93255
53 3FP0 FP0 0.02739 0.40081 2.93255
54 4FE2 ADP 0.001205 0.48296 3.13725
55 1SDW IYT 0.04211 0.40358 3.18471
56 3VPC ADP 0.000313 0.48364 3.19149
57 2CFM AMP 0.01306 0.43387 3.22581
58 1H82 GZZ 0.00008827 0.41839 3.22581
59 3NEM ATP 0.0285 0.41597 3.22581
60 2V6O FAD 0.0002925 0.41329 3.22581
61 1H82 FAD 0.0001376 0.41085 3.22581
62 3A1I UNU 0.0008 0.46738 3.26296
63 1M5B BN1 0.0002303 0.40519 3.42205
64 1KR3 113 0.01847 0.42858 3.44828
65 3ZPG 5GP 0.006762 0.46838 3.51906
66 3QV9 QV7 0.005384 0.44696 3.51906
67 3GX0 GDS 0.0006488 0.44241 3.51906
68 4OOE FOM 0.01528 0.42272 3.51906
69 4FFG 0U8 0.02973 0.42068 3.51906
70 4OYA 1VE 0.001224 0.40794 3.51906
71 2YP9 SIA CMO 0.01403 0.40109 3.51906
72 1QO0 BMD 0.009207 0.44146 3.57143
73 1I0Z OXM 0.01332 0.45241 3.6036
74 1I0Z NAI 0.0001856 0.42767 3.6036
75 3LL5 ATP 0.01506 0.41017 3.61446
76 4NS0 PIO 0.007876 0.45616 3.7594
77 2O4J VD4 0.001235 0.41157 3.76712
78 1BTN I3P 0.001113 0.53096 3.77358
79 1YOA FMN 0.01062 0.47462 3.77358
80 1YOA FAD 0.001791 0.41905 3.77358
81 3I9U DTU 0.02453 0.4091 3.80228
82 3WO0 ADP 0.00001722 0.40987 3.81232
83 2X3J ATP 0.01757 0.40706 3.81232
84 1EYE PMM 0.002863 0.43887 3.92857
85 2V5E SCR 0.0007499 0.53058 4
86 1T26 GBD 0.0005308 0.41599 4.03727
87 1T26 NAI 0.0005308 0.41599 4.03727
88 3HB5 E2B 0.00008134 0.45747 4.10557
89 1H0C AOA 0.02112 0.4292 4.10557
90 2C5S AMP 0.01006 0.4245 4.10557
91 3IAE D7K 0.0005927 0.4096 4.10557
92 1EPB REA 0.005999 0.43925 4.26829
93 3RF4 FUN 0.005668 0.44054 4.31034
94 1G8S MET 0.001522 0.47942 4.34783
95 1TUV VK3 0.000498 0.52965 4.38596
96 1A8S PPI 0.01363 0.41244 4.3956
97 1Z44 NPO 0.006465 0.48737 4.43787
98 1Z44 FMN 0.00516 0.42399 4.43787
99 3A2Y TS5 0.0006332 0.45146 4.56853
100 2JGS BTN 0.0272 0.4115 4.61538
101 2QLX RM4 0.02496 0.42551 4.62963
102 3NGU ADP 0.003725 0.42975 4.63576
103 3LTW HLZ 0.001437 0.48062 4.64286
104 3P7N FMN 0.01432 0.41419 4.65116
105 1ULE GLA GAL NAG 0.0004717 0.51756 4.66667
106 2PUL ACP 0.00001605 0.56531 4.69208
107 2Z9V PXM 0.0006274 0.48405 4.69208
108 1K97 CIR 0.0001582 0.42446 4.69208
109 1K97 ASP 0.0001582 0.42446 4.69208
110 4AXD ANP 0.0001058 0.42375 4.69208
111 4DEM YS4 0.0002236 0.42039 4.69208
112 1OYB FMN 0.002316 0.41188 4.69208
113 1OYB HBA 0.001313 0.41073 4.69208
114 4PLG NAI 0.0000181 0.41047 4.69208
115 4PLG OXM 0.0000181 0.41047 4.69208
116 1R6D NAD 0.0001277 0.40891 4.69208
117 1R6D DAU 0.0002266 0.40176 4.69208
118 1I2B USQ 0.003223 0.40381 4.70297
119 1I2B NAD 0.003223 0.40381 4.70297
120 1I2B UPG 0.003223 0.40381 4.70297
121 3I0O ADP 0.0004633 0.50985 4.71976
122 3I0O SMI 0.01374 0.42778 4.71976
123 3CF6 SP1 0.001795 0.43821 4.79042
124 1V6A TRE 0.003135 0.45799 4.81928
125 3JQA DX4 0.02346 0.42986 4.86111
126 3JQB DX6 0.04217 0.4143 4.86111
127 1SQ5 ADP 0.002355 0.44241 4.87013
128 1SQ5 PAU 0.005872 0.43983 4.87013
129 2QCX PF1 0.001024 0.48079 4.94297
130 3RGA LSB 0.002212 0.46051 4.947
131 1RZM E4P 0.003103 0.47115 4.98534
132 1RZM PEP 0.03873 0.40226 4.98534
133 1OX5 1PR 0.00881 0.40199 4.98534
134 1MXI SAH 0.001238 0.43606 5
135 1QFT HSM 0.01694 0.41706 5.14286
136 1Y9Q MED 0.04816 0.40886 5.20833
137 1SJD NPG 0.001075 0.41992 5.27859
138 1B7Y FYA 0.002461 0.40486 5.27859
139 3B9Q MLI 0.02391 0.43131 5.29801
140 3SJU NDP 0.0002256 0.42197 5.37634
141 3PLN U5P 0.006043 0.43927 5.42453
142 2GCG DGY 0.03548 0.41322 5.45455
143 1QD0 RR6 0.0002139 0.48589 5.46875
144 1NYT NAP 0.001472 0.41218 5.53506
145 3ZJX BOG 0.0002554 0.54036 5.53633
146 3TDV GDP 0.0000136 0.56252 5.57185
147 1I2L DCS 0.0004934 0.44678 5.57621
148 2IYG FMN 0.001004 0.45786 5.64516
149 2DVZ GLU 0.03822 0.40918 5.73248
150 1YRX FMN 0.000392 0.46949 5.78512
151 4IAW LIZ 0.01534 0.43019 5.85106
152 2PP3 LGT 0.005999 0.42133 5.8651
153 2QV7 ADP 0.006173 0.41695 5.8651
154 2GJN FMN 0.001674 0.41035 5.8651
155 2GJN NIS 0.002239 0.40047 5.8651
156 4LO2 GAL BGC 0.02844 0.41211 6.12245
157 2Q8H TF4 0.03242 0.43131 6.15836
158 4G8R 96P 0.0239 0.42975 6.15836
159 4F8L GAL 0.00808 0.48164 6.2069
160 3QUG GIX 0.02383 0.42397 6.34921
161 1L8N GCW 0.00187 0.41506 6.45161
162 4FWE FAD 0.00007578 0.405 6.45161
163 4JH6 FCN 0.02668 0.42131 6.52174
164 3N0Y APC 0.01333 0.40429 6.70391
165 2IF8 ADP 0.0004111 0.52518 6.74487
166 4RJK PYR 0.003934 0.47317 6.74487
167 4RJK TPP 0.00007648 0.44651 6.74487
168 4DYO SD4 0.006419 0.43315 6.74487
169 2PR5 FMN 0.01393 0.41477 6.81818
170 3TM0 ANP 0.0007644 0.43659 6.84411
171 3TM0 B31 0.0009193 0.43077 6.84411
172 1SJW NGV 0.002562 0.43209 6.94444
173 3U7Y FLC 0.02334 0.45894 6.9869
174 3DGB MUC 0.00434 0.43132 7.03812
175 3E7S AT2 0.02149 0.42879 7.03812
176 4LHM AZZ 0.01788 0.42238 7.03812
177 2Q37 3AL 0.0005396 0.49386 7.33138
178 1F1V DHY 0.005669 0.43553 7.33138
179 4ORR PE3 0.00215 0.40678 7.36842
180 4DOL PLM 0.01766 0.41294 7.37327
181 1F3L SAH 0.001666 0.42017 7.47664
182 2HKA C3S 0.02142 0.40304 7.69231
183 3I8P 840 0.002118 0.43536 7.72834
184 1SS4 GSH 0.0002211 0.57515 7.84314
185 1SS4 CIT 0.0009331 0.51242 7.84314
186 4IXW IXW 0.007582 0.42994 7.87402
187 2WA4 069 0.001394 0.47971 7.91789
188 3P3N AKG 0.02692 0.41869 7.91789
189 4OCJ NDG 0.000583 0.40282 7.91789
190 3BU1 HSM 0.01097 0.44574 8.10811
191 2ORV 4TA 0.0005423 0.42987 8.11966
192 3W0O ADP 0.001843 0.42699 8.21114
193 4U98 ACP 0.0346 0.42667 8.21114
194 1IA9 ANP 0.00001032 0.56214 8.21429
195 2Y7P SAL 0.005678 0.4405 8.25688
196 1IG3 VIB 0.0009398 0.40647 8.36502
197 3QDT A2G GAL 0.01106 0.44976 8.39161
198 3KMT SAH 0.04267 0.40011 8.40336
199 1AUA BOG 0.004861 0.46625 8.44595
200 1LNX URI 0.01145 0.4266 8.64198
201 2YGO PCF 0.00003961 0.4516 8.79765
202 3Q60 ATP 0.0000001537 0.42283 8.79765
203 2GC0 PAN 0.02338 0.40703 9.04255
204 4ASJ N6A 0.003326 0.40649 9.21502
205 4K30 NLG 0.03635 0.40353 9.375
206 3LRE ADP 0.01116 0.45292 9.38416
207 3F8C HT1 0.0327 0.40993 9.52381
208 4LI4 AMP 0.04354 0.40972 9.55882
209 3LQV ADE 0.03722 0.40668 9.56522
210 1W2D ADP 0.0007325 0.49944 9.81132
211 1W2D 4IP 0.003566 0.41806 9.81132
212 3BY8 MLT 0.007168 0.45288 9.85915
213 4LWM MHO 0.02641 0.43056 10.1382
214 4E28 9MZ 0.0188 0.42634 10.1538
215 2RHQ GAX 0.0002646 0.44817 10.2639
216 2IVD ACJ 0.04781 0.40069 10.2639
217 1GOJ ADP 0.0277 0.42509 10.8504
218 4L7I SAM 0.01098 0.40359 10.8504
219 3T50 FMN 0.02728 0.40089 10.9375
220 3KJQ B94 0.01141 0.41375 11.5789
221 1T0S BML 0.00661 0.46143 11.6279
222 1VBO MAN MAN MAN 0.04994 0.41025 12.0805
223 4JNJ BTN 0.02961 0.4082 12.1739
224 2YW2 ATP 0.01326 0.41274 12.3167
225 3VPB ADP 0.000294 0.47293 12.5
226 4O1P ANP 0.000000007426 0.45149 12.9032
227 1YBH FAD 0.0001553 0.42722 12.9032
228 3A6T 8OG 0.02431 0.4093 13.1783
229 1B4P GPS 0.009052 0.40349 13.3641
230 4OAV ACP 0.0000000584 0.42689 13.4897
231 3F81 STT 0.01342 0.45223 13.6612
232 1TDF FAD 0.00006775 0.40957 14.3695
233 4X7Q 3YR 0.003884 0.47346 14.956
234 3S9K CIT 0.02542 0.44996 15.2542
235 1HGX 5GP 0.03319 0.41616 15.3005
236 4DFU QUE 0.01872 0.43395 16.1491
237 1LFO OLA 0.006686 0.42983 16.4062
238 3VHE 42Q 0.0000008141 0.56168 16.4223
239 4ASE AV9 0.000003202 0.43548 16.4223
240 2FYU FDN 0.009413 0.40285 16.5975
241 1TQP ATP 0.000003901 0.55872 17.3759
242 4H3Q ANP 0.0000000005366 0.51572 17.5953
243 4H3P ANP 0.000000006861 0.46546 17.5953
244 5DMZ ADP 0.002487 0.48354 18.7683
245 2QLU ADE 0.0000003708 0.71168 20.3822
246 4Q5H ANP 0.00001191 0.56529 20.6897
247 1V7R CIT 0.004507 0.48669 21.5054
248 2ZV2 609 0.000002167 0.63171 21.7009
249 4F4S EFO 0.00856 0.43237 22.3684
250 4LRJ ANP 0.0000004445 0.41142 22.4852
251 2PZI AXX 0.0000472 0.5549 22.5806
252 4WOV 3SM 0.01812 0.44871 24.2902
253 4IJP 1EH 0.0000001166 0.44722 24.3402
254 2PVF ACP 0.000000003403 0.45581 24.6334
255 4K33 ACP 0.000000001016 0.47997 25.2308
256 3RI1 3RH 0.0000001121 0.4761 25.2396
257 3GQI ACP 0.00000001079 0.45559 25.8065
258 3KMW ATP 0.000002791 0.60251 26.5683
259 4BFM ANP 0.000000007523 0.47851 26.9461
260 3KN5 ANP 0.000001532 0.40607 27.6923
261 2Y6O 1N1 0.000000721 0.60307 27.8351
262 1Q8Y ADP 0.00000002043 0.46429 27.8592
263 3ORK AGS 0.000000001 0.70758 27.9743
264 1CM8 ANP 0.00000008704 0.4303 28.1525
265 3VRY B43 0.0000000003107 0.72936 28.739
266 2H8H H8H 0.000000006807 0.45261 28.739
267 1Y57 MPZ 0.000000422 0.44615 28.739
268 1BYG STU 0.00000009258 0.42362 28.777
269 4E93 GUI 0.00000008462 0.59045 29.0323
270 3FC2 IBI 0.00000000004332 0.51615 29.6188
271 4QTB 38Z 0.00000001701 0.50527 29.6188
272 2HY0 306 0.005798 0.47613 29.8137
273 4NFN 2KC 0.0000183 0.56252 29.912
274 4Y8D 49J 0.004727 0.46902 29.912
275 4I94 ANP 0.0000004106 0.41011 30
276 4IDT T28 0.00000001903 0.70862 30.0562
277 3HMO STU 0.000000366 0.64573 30.117
278 3PLS ANP 0.000000001809 0.46119 30.2013
279 3SXF BK5 0.00000002871 0.52179 30.2053
280 3FHI ANP 0.000000004876 0.50994 30.2053
281 2QCS ANP 0.000000005492 0.50926 30.2053
282 4WB7 ATP 0.0001 0.49657 30.2053
283 3IDB ANP 0.00000005738 0.46339 30.2053
284 2YAB AMP 0.0000001138 0.43903 30.2053
285 3BU5 ATP 0.000000002606 0.46494 30.3922
286 2R5T ANP 0.0000001148 0.63921 30.4985
287 4PNI KQQ 0.0005989 0.42843 30.4985
288 3IGO ANP 0.0000001302 0.63673 30.7918
289 3UIM ANP 0.00000001239 0.45614 30.9816
290 5T8O 76Z 0.0009375 0.49723 31.2321
291 3KRL KRL 0.000008649 0.40386 31.3433
292 3PVW QRX 0.000004564 0.54557 31.3783
293 5LI9 ACP 0.003143 0.47447 31.3783
294 3V8S 0HD 0.00000007592 0.42668 31.3783
295 4OH4 ANP 0.000000000376 0.78124 31.5315
296 2CSN CKI 0.000000001712 0.52487 31.6498
297 3PP0 03Q 0.0000001481 0.60837 31.9527
298 3B1J NAD 0.0002683 0.42286 32
299 1K3A ACP 0.00000008113 0.41301 32.107
300 5HX8 66P 0.0006757 0.48587 32.1192
301 2F2U M77 0.000004217 0.61659 32.2581
302 3LXN MI1 0.00000003029 0.46236 32.3899
303 2XVD AS6 0.00000007375 0.48522 32.5513
304 4YMJ 4EJ 0.009413 0.48088 32.5658
305 4M69 ANP 0.000000008977 0.47727 32.5879
306 2XK9 XK9 0.0000000007833 0.57559 32.6087
307 2X2M X2M 0.00000006559 0.456 32.8025
308 4FG8 ATP 0.00000002663 0.4634 33.0159
309 4U0I 0LI 0.00001449 0.42958 33.0159
310 3GC8 B45 0.0000004296 0.61325 33.1378
311 2RIO ADP 0.0000000008606 0.46697 33.4311
312 3LXK MI1 0.0000004324 0.5832 33.6391
313 4EUU BX7 0.000001587 0.44074 33.8558
314 4F9C 0SX 0.0000005465 0.42043 34.0176
315 3BZ3 YAM 0.00002314 0.43109 34.4203
316 4I6H 1C8 0.00000515 0.58275 34.7403
317 4GJ3 0XP 0.00000003371 0.50823 34.7682
318 4C2V YJA 0.0000025 0.45279 35.0877
319 4EWH T77 0.006245 0.43862 35.2727
320 4NW6 2NS 0.00000001797 0.61662 35.2941
321 4FL3 ANP 0.000000001439 0.72532 35.4839
322 2VZ6 FEF 0.000000579 0.65262 35.7771
323 2Z7R STU 0.00000001562 0.67843 35.8255
324 4C2W ANP 0.00000002572 0.41089 35.8423
325 3IPQ 965 0.0002312 0.4248 36
326 2A19 ANP 0.0000003855 0.67093 36.2676
327 2HK5 1BM 0.00000007552 0.44659 36.2963
328 2PVN P63 0.00000006952 0.61025 36.3636
329 2OFV 242 0.000005495 0.45746 36.8231
330 4RFM 3P6 0.006175 0.40324 36.8421
331 1U59 STU 0.0000003928 0.63638 37.2822
332 4CQE CQE 0.0000004921 0.61058 37.4101
333 2BPM 529 0.001628 0.42404 38.5113
334 4NST ADP 0.0000002403 0.42868 38.7097
335 3E5A VX6 0.0000004592 0.59336 38.806
336 1PHK ATP 0.000000002822 0.47695 39.0029
337 4CFU 2WC 0.0000001182 0.67857 39.2739
338 4BCM T7Z 0.0000007462 0.41066 39.5349
339 3FHR P4O 0.00000322 0.58594 39.5894
340 4BCN T9N 0.0000001048 0.69056 39.6667
341 2WU6 DKI 0.00000000334 0.70055 39.8827
342 3TTI KBI 0.0001768 0.50906 39.8827
343 4CCO OGA 0.001533 0.4664 40
344 3GNI ATP 0.000000002173 0.72595 40.176
345 4NM5 ADP 0.00000000006484 0.47906 40.7625
346 3E7O 35F 0.000003232 0.45046 40.7625
347 1U5R ATP 0.00000002007 0.70748 41.0557
348 4IZY 1J2 0.0000002782 0.62872 41.0557
349 4UX9 ANP 0.00005014 0.56099 41.0557
350 2E1A MSE 0.01349 0.41885 41.3333
351 2JLD AG1 0.0000001141 0.58038 41.349
352 3SXS PP2 0.0000000451 0.66518 41.4179
353 4JDI ANP 0.00000006099 0.45154 41.9355
354 3M2W L8I 0.0000005753 0.40585 42.1405
355 1O9U ADZ 0.0000002214 0.72913 42.522
356 2F57 23D 0.0000005176 0.40193 43.8486
357 4U44 3D9 0.0000006858 0.41837 44.2771
358 2B9J ADP 0.00000005047 0.68787 44.2815
359 2B9I ADP 0.000000071 0.67203 44.2815
360 2B9H ADP 0.00000004874 0.45018 44.2815
361 2B9F ADP 0.0000000274 0.4499 44.2815
362 3SRV S19 0.00000000994 0.45016 44.4043
363 2WQN ADP 0.00000004204 0.71085 44.8387
364 4AU8 Z3R 0.0000006317 0.65971 46.6216
365 2YAK OSV 0.00000003052 0.50332 47.0175
366 3O0G 3O0 0.0000001599 0.42068 47.2603
367 1UNH IXM 0.00000003537 0.41686 47.2603
368 2WEI VGG 0.0000001146 0.41794 47.3868
369 4KS7 X4Z 0.0000004007 0.60812 48.2877
370 4L3L 5FI 0.0000126 0.4304 48.3553
371 2X4Z X4Z 0.0000000315 0.52157 48.6486
Pocket No.: 2; Query (leader) PDB : 3E8N; Ligand: VRA; Similar sites found: 217
This union binding pocket(no: 2) in the query (biounit: 3e8n.bio2) has 43 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.01782 0.4613 None
2 3MAG 3MA 0.01101 0.46477 1.62866
3 4Q0A 4OA 0.0004258 0.45351 1.75953
4 4Q0A GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 0.001028 0.4391 1.75953
5 2NCD ADP 0.02506 0.41542 1.75953
6 2EB5 OXL 0.01465 0.43162 1.87266
7 1Y42 TYR 0.005977 0.43949 2.05279
8 1PEA ACM 0.01928 0.43711 2.05279
9 1WDA BAG 0.005835 0.43498 2.05279
10 2RL1 UD1 0.0006352 0.42414 2.05279
11 1C1L GAL BGC 0.001018 0.49544 2.18978
12 1FW1 GSH 0.001321 0.44805 2.31481
13 2A2X NA9 0.008113 0.40529 2.3166
14 3SHR CMP 0.003839 0.43814 2.34114
15 4P4T GDP 0.002405 0.4252 2.34604
16 1O0S NAI 0.001402 0.41935 2.34604
17 5NCY 8TK 0.01823 0.41303 2.34604
18 1HKU NAD 0.0005433 0.41071 2.34604
19 2Q9U FMN 0.007202 0.40724 2.34604
20 3NFZ 3NF 0.001323 0.45287 2.44648
21 4JWX 1N4 0.002394 0.45759 2.5
22 1MZV AMP 0.001554 0.45501 2.55319
23 1I7L ATP 0.000001386 0.40141 2.589
24 2XDQ MGX 0.005442 0.47349 2.6393
25 1Q11 TYE 0.006806 0.43691 2.6393
26 1UF5 CDT 0.003454 0.44011 2.64026
27 1ZJ6 G3D 0.02322 0.40077 2.6738
28 3UEC ALA ARG TPO LYS 0.005086 0.46037 2.73973
29 2I7C AAT 0.00006385 0.43145 2.82686
30 4COQ SAN 0.0006362 0.49777 2.83401
31 2Y7G AAE 0.001366 0.4429 2.83688
32 1DBT U5P 0.009446 0.40279 2.92887
33 1P1M MET 0.002324 0.41509 2.93255
34 4L1F COS 0.001873 0.41504 2.93255
35 1H82 GZZ 0.00008827 0.41839 3.22581
36 2V6O FAD 0.0002925 0.41329 3.22581
37 1H82 FAD 0.0001376 0.41085 3.22581
38 3A1I UNU 0.0008 0.46738 3.26296
39 1M5B BN1 0.0002303 0.40519 3.42205
40 3ZPG 5GP 0.006762 0.46838 3.51906
41 3QV9 QV7 0.005384 0.44696 3.51906
42 3GX0 GDS 0.0006488 0.44241 3.51906
43 4OB6 S2T 0.003313 0.42767 3.51906
44 4OYA 1VE 0.001224 0.40794 3.51906
45 2YP9 SIA CMO 0.01403 0.40109 3.51906
46 1QO0 BMD 0.009207 0.44146 3.57143
47 1I0Z OXM 0.01332 0.45241 3.6036
48 1I0Z NAI 0.0001856 0.42767 3.6036
49 2O4J VD4 0.001235 0.41157 3.76712
50 1BTN I3P 0.001113 0.53096 3.77358
51 1YOA FMN 0.01062 0.47462 3.77358
52 1YOA FAD 0.001791 0.41905 3.77358
53 1GSA ADP 0.0000179 0.42476 3.79747
54 3WO0 ALA 0.00001722 0.40987 3.81232
55 3WO0 ADP 0.00001722 0.40987 3.81232
56 1EYE PMM 0.002863 0.43887 3.92857
57 2V5E SCR 0.0007499 0.53058 4
58 1T26 GBD 0.0005308 0.41599 4.03727
59 1T26 NAI 0.0005308 0.41599 4.03727
60 3HB5 E2B 0.00008134 0.45747 4.10557
61 1H0C AOA 0.02112 0.4292 4.10557
62 2C5S AMP 0.01006 0.4245 4.10557
63 3IAE D7K 0.0005927 0.4096 4.10557
64 4IAE 1DX 0.00001771 0.42981 4.2328
65 3RF4 FUN 0.005668 0.44054 4.31034
66 1G8S MET 0.001522 0.47942 4.34783
67 1TUV VK3 0.000498 0.52965 4.38596
68 1A8S PPI 0.01363 0.41244 4.3956
69 1Z44 NPO 0.006465 0.48737 4.43787
70 1Z44 FMN 0.00516 0.42399 4.43787
71 3A2Y TS5 0.0006332 0.45146 4.56853
72 2JGS BTN 0.0272 0.4115 4.61538
73 2QLX RM4 0.02496 0.42551 4.62963
74 3NGU ADP 0.003725 0.42975 4.63576
75 3LTW HLZ 0.001437 0.48062 4.64286
76 1ULE GLA GAL NAG 0.000005455 0.62175 4.66667
77 2Z9V PXM 0.0006274 0.48405 4.69208
78 4AXD ANP 0.0000007996 0.43919 4.69208
79 1K97 CIR 0.0001582 0.42446 4.69208
80 1K97 ASP 0.0001582 0.42446 4.69208
81 4DEM YS4 0.0002236 0.42039 4.69208
82 1OYB FMN 0.002316 0.41188 4.69208
83 1OYB HBA 0.001313 0.41073 4.69208
84 4PLG OXM 0.0000181 0.41047 4.69208
85 4PLG NAI 0.0000181 0.41047 4.69208
86 1R6D NAD 0.0001277 0.40891 4.69208
87 1R6D DAU 0.0002266 0.40176 4.69208
88 1I2B NAD 0.003223 0.40381 4.70297
89 1I2B UPG 0.003223 0.40381 4.70297
90 1I2B USQ 0.003223 0.40381 4.70297
91 3I0O SMI 0.01374 0.42778 4.71976
92 3I0O ADP 0.007272 0.42621 4.71976
93 3CF6 SP1 0.001795 0.43821 4.79042
94 1V6A TRE 0.003135 0.45799 4.81928
95 1SQ5 ADP 0.002355 0.44241 4.87013
96 1SQ5 PAU 0.005872 0.43983 4.87013
97 2QCX PF1 0.001024 0.48079 4.94297
98 1RZM E4P 0.003103 0.47115 4.98534
99 1RZM PEP 0.03873 0.40226 4.98534
100 1MXI SAH 0.001238 0.43606 5
101 1Y9Q MED 0.004019 0.45895 5.20833
102 1SJD NPG 0.001075 0.41992 5.27859
103 1B7Y FYA 0.002461 0.40486 5.27859
104 3SJU NDP 0.0002256 0.42197 5.37634
105 3PLN U5P 0.006043 0.43927 5.42453
106 1QD0 RR6 0.0002139 0.48589 5.46875
107 1NYT NAP 0.001472 0.41218 5.53506
108 3ZJX BOG 0.04804 0.43718 5.53633
109 3TDV GDP 0.03454 0.42378 5.57185
110 3OYZ ACO 0.0003776 0.40027 5.57185
111 1I2L DCS 0.0004934 0.44678 5.57621
112 2IYG FMN 0.001004 0.45786 5.64516
113 1YRX FMN 0.000392 0.46949 5.78512
114 2PP3 LGT 0.005999 0.42133 5.8651
115 2QV7 ADP 0.006173 0.41695 5.8651
116 2GJN FMN 0.001674 0.41035 5.8651
117 2GJN NIS 0.002239 0.40047 5.8651
118 2Q8H TF4 0.03242 0.43131 6.15836
119 4F8L GAL 0.00808 0.48164 6.2069
120 1N9L FMN 0.002191 0.42673 6.42202
121 1L8N GCW 0.00187 0.41506 6.45161
122 4FWE FAD 0.00007578 0.405 6.45161
123 4RJK PYR 0.003934 0.47317 6.74487
124 4RJK TPP 0.00007648 0.44651 6.74487
125 4DYO SD4 0.006419 0.43315 6.74487
126 2PR5 FMN 0.00019 0.46669 6.81818
127 1SJW NGV 0.002562 0.43209 6.94444
128 3U7Y FLC 0.02334 0.45894 6.9869
129 3DGB MUC 0.00434 0.43132 7.03812
130 4LHM AZZ 0.01788 0.42238 7.03812
131 2Q37 3AL 0.0005396 0.49386 7.33138
132 1F1V DHY 0.005669 0.43553 7.33138
133 4ORR PE3 0.00215 0.40678 7.36842
134 1F3L SAH 0.001666 0.42017 7.47664
135 3I8P 840 0.002118 0.43536 7.72834
136 1SS4 GSH 0.0002211 0.57515 7.84314
137 1SS4 CIT 0.0009331 0.51242 7.84314
138 4IXW IXW 0.007582 0.42994 7.87402
139 2WA4 069 0.0001136 0.49735 7.91789
140 3P3N AKG 0.02692 0.41869 7.91789
141 2ORV 4TA 0.0005423 0.42987 8.11966
142 4U98 ACP 0.0346 0.42667 8.21114
143 1IA9 ANP 0.007115 0.45632 8.21429
144 2Y7P SAL 0.005678 0.4405 8.25688
145 1IG3 VIB 0.0009398 0.40647 8.36502
146 3QDT A2G GAL 0.01106 0.44976 8.39161
147 3KMT SAH 0.0006387 0.46088 8.40336
148 1LNX URI 0.01145 0.4266 8.64198
149 2YGO PCF 0.00003961 0.4516 8.79765
150 4ASJ N6A 0.003326 0.40649 9.21502
151 4K30 NLG 0.03635 0.40353 9.375
152 3F8C HT1 0.0327 0.40993 9.52381
153 3BY8 MLT 0.007168 0.45288 9.85915
154 4LWM MHO 0.02641 0.43056 10.1382
155 4E28 9MZ 0.0188 0.42634 10.1538
156 2RHQ GAX 0.0002646 0.44817 10.2639
157 4L7I SAM 0.01098 0.40359 10.8504
158 3KJQ B94 0.01141 0.41375 11.5789
159 1T0S BML 0.00661 0.46143 11.6279
160 1YBH FAD 0.0001553 0.42722 12.9032
161 1B4P GPS 0.009052 0.40349 13.3641
162 3F81 STT 0.01342 0.45223 13.6612
163 1TDF FAD 0.00006775 0.40957 14.3695
164 4X7Q 3YR 0.003884 0.47346 14.956
165 3S9K CIT 0.02542 0.44996 15.2542
166 3VHE 42Q 0.01436 0.41764 16.4223
167 2FYU FDN 0.009413 0.40285 16.5975
168 5DMZ ADP 0.002487 0.48354 18.7683
169 1V7R CIT 0.004507 0.48669 21.5054
170 2ZV2 609 0.01538 0.45654 21.7009
171 4F4S EFO 0.00856 0.43237 22.3684
172 4WOV 3SM 0.01812 0.44871 24.2902
173 3ORK AGS 0.00001476 0.56716 27.9743
174 3VRY B43 0.00002341 0.55777 28.739
175 4E93 GUI 0.0004538 0.47794 29.0323
176 3FC2 IBI 0.00000000004332 0.51615 29.6188
177 2HY0 306 0.005798 0.47613 29.8137
178 4Y8D 49J 0.004727 0.46902 29.912
179 4WB7 ATP 0.0001 0.49657 30.2053
180 4PNI KQQ 0.0005989 0.42843 30.4985
181 2R5T ANP 0.002393 0.41804 30.4985
182 3TXO 07U 0.00000001033 0.40668 30.4985
183 3IGO ANP 0.003071 0.46793 30.7918
184 5T8O 76Z 0.0009375 0.49723 31.2321
185 5LI9 ACP 0.003143 0.47447 31.3783
186 3PVW QRX 0.01141 0.42908 31.3783
187 2CSN CKI 0.000001203 0.40642 31.6498
188 3PP0 03Q 0.002043 0.46367 31.9527
189 3B1J NAD 0.0002683 0.42286 32
190 5HX8 66P 0.0006757 0.48587 32.1192
191 2F2U M77 0.00002237 0.534 32.2581
192 4YMJ 4EJ 0.009413 0.48088 32.5658
193 2XK9 XK9 0.0000000001952 0.51401 32.6087
194 3GC8 B45 0.002368 0.4701 33.1378
195 4EWH T77 0.006245 0.43862 35.2727
196 4NW6 2NS 0.0004007 0.48025 35.2941
197 2VZ6 FEF 0.03654 0.43169 35.7771
198 3IPQ 965 0.0002312 0.4248 36
199 2A19 ANP 0.004587 0.48626 36.2676
200 4RFM 3P6 0.006175 0.40324 36.8421
201 1U59 STU 0.003384 0.47658 37.2822
202 2BPM 529 0.001628 0.42404 38.5113
203 3E5A VX6 0.0006995 0.48857 38.806
204 4CFU 2WC 0.0006387 0.52381 39.2739
205 3FHR P4O 0.01945 0.43389 39.5894
206 4BCN T9N 0.0004777 0.53595 39.6667
207 3TTI KBI 0.0001768 0.50906 39.8827
208 4CCO OGA 0.001533 0.4664 40
209 4NM5 ADP 0.00000000006484 0.47906 40.7625
210 1U5R ATP 0.00000000003897 0.74137 41.0557
211 4UX9 ANP 0.00005014 0.56099 41.0557
212 4IZY 1J2 0.002726 0.47397 41.0557
213 2E1A MSE 0.01349 0.41885 41.3333
214 1O9U ADZ 0.000000002758 0.81357 42.522
215 2B9I ADP 0.0006342 0.5144 44.2815
216 2WQN ADP 0.002213 0.49923 44.8387
217 4KS7 X4Z 0.002613 0.46802 48.2877
Pocket No.: 3; Query (leader) PDB : 3E8N; Ligand: ATP; Similar sites found: 125
This union binding pocket(no: 3) in the query (biounit: 3e8n.bio1) has 43 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3X01 AMP 0.0006004 0.51907 1.46628
2 4ZS4 ATP 0.000000953 0.42183 2.28013
3 5C3R AKG 0.005697 0.43664 2.93255
4 5C3R HMU 0.005697 0.43664 2.93255
5 5E58 CPZ 0.01198 0.43653 2.93255
6 5GZ9 ANP 0.00000001522 0.47863 2.95082
7 4ZYB 4SQ 0.03768 0.4061 2.98507
8 5TT6 ATP 0.01765 0.40417 3.22581
9 4WA2 SIA GAL NAG 0.04577 0.41231 3.51906
10 5EFW FMN 0.02279 0.40461 4.13793
11 2CDO GAL AAL GAL AAL GAL AAL 0.001771 0.48921 4.375
12 4Z28 BTN 0.02024 0.42383 4.47761
13 4RJD TFP 0.04978 0.41026 4.54545
14 5MW8 ATP 0.000004179 0.42166 4.69208
15 5K8S CMP 0.01186 0.4213 4.72973
16 5MRH Q9Z 0.005424 0.45861 6.45161
17 2ZHL NAG GAL GAL NAG 0.001999 0.4717 7.43243
18 5IQD RIO 0.0004817 0.40349 7.54098
19 5IQD GNP 0.0004329 0.40337 7.54098
20 3W0O HY0 0.001843 0.42699 8.21114
21 5AIG VPR 0.02775 0.41658 8.8
22 5E89 TD2 0.009032 0.43052 10.0719
23 5FPX GLY SER SER HIS HIS HIS HIS HIS 0.01487 0.41342 10.6195
24 4N70 2HX 0.000001411 0.50505 14.939
25 5MY8 RXZ 0.000001987 0.43508 17.3021
26 5BVE 4VG 0.000001002 0.52338 17.5953
27 4AG8 AXI 0.000004691 0.51079 17.7215
28 5U6C 7YS 0.00000008305 0.45445 18.0952
29 5LXT ACP 0.002487 0.43947 19.5804
30 4KBA 1QM 0.00008722 0.48762 19.9396
31 5W4W 9WG 0.00002416 0.42688 19.9396
32 4Y0X ADP 0.000001219 0.40285 20.5333
33 5C03 AGS 0.000004104 0.4056 21.9941
34 4JR7 GNP 0.000000004298 0.4653 23.1672
35 4CRL C1I 0.000001697 0.46576 24.0469
36 4Y85 499 0.0000006469 0.4121 24.0964
37 5JKG 6LF 0.000004402 0.46588 24.4373
38 1VJY 460 0.000000003016 0.54199 24.7525
39 4XH0 ADP 0.000005342 0.63346 26.393
40 5UR1 YY9 0.000003482 0.48268 26.6881
41 5USZ SKE 0.00000001824 0.49779 26.9896
42 3PE2 E1B 0.00002411 0.46127 27.003
43 4YLL 4E3 0.0000003054 0.45269 27.2727
44 5IH9 6BF 0.0000003847 0.49458 27.566
45 4P5Z Q7M 0.000004282 0.46692 27.8592
46 5JZJ AN2 0.000000001015 0.47073 28.2828
47 4CLI 5P8 0.000001358 0.49836 28.4404
48 4YZC STU 0.00000007001 0.52125 28.4457
49 5EOB 5QQ 0.000000147 0.54494 28.5266
50 5KO1 6UY 0.00000003485 0.43251 28.6219
51 5M06 ADP 0.0000005377 0.40058 28.6232
52 3QCQ 3Q0 0.0000006316 0.54943 29.0323
53 4WNK 453 0.0000009954 0.46578 29.0323
54 5CEO 50D 0.0000004299 0.41545 29.0323
55 5NKB 8ZT 0.000006847 0.48748 29.4118
56 1OUK 084 0.000009497 0.51526 29.6188
57 5TA6 79D 0.000002854 0.44004 29.6188
58 3TKI S25 0.000008668 0.48333 29.7214
59 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.0000003267 0.5356 29.912
60 2JDR L20 0.0000003267 0.5356 29.912
61 4WB6 ATP 0.00000001103 0.5021 29.912
62 5BYZ 4WE 0.000000507 0.47941 29.912
63 3MVH WFE 0.0000006234 0.46909 29.912
64 4Y93 746 0.0000002444 0.45794 29.912
65 1RE8 BD2 0.000001658 0.49999 30.2053
66 3EKK GS2 0.00000136 0.4801 30.2932
67 4L9I 8PR 0.0000003103 0.41931 30.4985
68 2GU8 796 0.0000005259 0.52727 30.5638
69 1XJD STU 0.000001745 0.41942 30.7918
70 4AT3 LTI 0.0000005348 0.46496 31.1037
71 5HCY 60D 0.000000004289 0.5809 31.1178
72 5TO8 7FM 0.00001813 0.45041 31.2057
73 3NW7 LGV 0.00001125 0.4723 31.2704
74 5LI1 ANP 0.00000003837 0.46757 31.3783
75 5UKL SIX 0.0000009673 0.45687 31.3783
76 5LPZ ADP 0.0000000002826 0.4872 31.6265
77 4OTH DRN 0.00000007812 0.4584 31.6716
78 5JFS 6K0 0.000001973 0.48371 31.8182
79 5HVJ ANP 0.000001645 0.66345 32.381
80 5VCV 1N1 0.000000003366 0.49648 33.119
81 5UIU 8CG 0.000000009633 0.51282 33.1269
82 5HES 032 0.000000004983 0.48338 33.1378
83 3KRR DQX 0.000000427 0.5385 33.2203
84 5LVP ATP 0.000000009382 0.42814 33.3333
85 5MJA 7O3 0.0000001487 0.41123 33.4426
86 5N87 N66 0.0000008693 0.48328 33.5463
87 4G31 0WH 0.000001623 0.53622 33.7793
88 3G5D 1N1 0.0000001701 0.54407 33.9161
89 4CSV STI 0.000003502 0.41621 34.9091
90 5LPB ADP 0.0000000003947 0.44065 35.473
91 4XV1 904 0.00000006797 0.50754 35.6164
92 5VC5 96M 0.000000009347 0.50375 35.6401
93 4E1Z 0MX 0.000001653 0.43361 36.0825
94 4WNP 3RJ 0.000000007572 0.43308 36.2369
95 5G1X ADP 0.000000005214 0.45134 36.4912
96 5L8L ADP 0.000000008493 0.42059 36.4912
97 4TWP AXI 0.0000008982 0.50742 36.5314
98 4YZN 4K5 0.000000004694 0.49413 36.5854
99 5EYK 5U5 0.0000004766 0.46114 36.5942
100 5EFQ ADP 0.0000001148 0.43577 36.6569
101 5AWM ANP 0.0000000642 0.4072 36.6569
102 5LXM ADP 0.00000001095 0.44606 36.7491
103 5H2U 1N1 0.0000003522 0.41553 37.4532
104 5FBN 5WF 0.00000000211 0.55592 37.6384
105 5DA3 58V 0.00000001794 0.7406 37.7358
106 5EW9 5VC 0.0000002171 0.57667 38.3764
107 1OPK P16 0.00005574 0.48435 38.7097
108 4WHZ 3NL 0.0000007552 0.51417 39.8827
109 5LXC 7AA 0.0000000535 0.42911 39.8827
110 2XMY CDK 0.000000006488 0.6034 39.9329
111 5X8I SQZ 0.00000004478 0.44627 40.176
112 3F7Z 34O 0.000001247 0.41307 40.4692
113 3C0G 3AM 0.000002113 0.42471 41.6422
114 4A4X JUP 0.000000922 0.45081 42.2939
115 3CY2 MB9 0.000002892 0.42689 42.8571
116 5JGA 6KC 0.00000002165 0.51642 43.4921
117 5DRB 5FJ 0.00000001945 0.56431 43.6426
118 4BHN BH9 0.0000001998 0.43913 43.7126
119 5A6N U7E 0.0000004111 0.42713 44.8763
120 4F4P 0SB 0.0000002353 0.54294 45.0549
121 5DBX ANP 0.00000004709 0.41602 45.7317
122 5DEY 59T 0.0000009348 0.51626 45.7912
123 5HQ0 LZ9 0.0000000659 0.4466 48.3444
124 5AX9 4KT 0.0000001715 0.42946 49.6753
125 4QMN DB8 0.000004551 0.45942 49.6774
126 4USF 6UI 0.0000004447 0.44461 50
Pocket No.: 4; Query (leader) PDB : 3E8N; Ligand: VRA; Similar sites found: 242
This union binding pocket(no: 4) in the query (biounit: 3e8n.bio1) has 43 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3X01 AMP 0.0006004 0.51907 1.46628
2 4PU5 ANP 0.004968 0.4261 2.05279
3 3UDZ ADP 0.000001796 0.40944 2.05279
4 4ZS4 ATP 0.000000953 0.42183 2.28013
5 4AVB CMP 0.02212 0.4181 2.4024
6 4GYI ADP 0.0001398 0.53079 2.93255
7 5C3R HMU 0.005697 0.43664 2.93255
8 5C3R AKG 0.005697 0.43664 2.93255
9 5E58 CPZ 0.01198 0.43653 2.93255
10 4ANW O92 0.00007423 0.41291 2.93255
11 3FP0 FP0 0.02739 0.40081 2.93255
12 5GZ9 ANP 0.00000001522 0.47863 2.95082
13 4ZYB 4SQ 0.03768 0.4061 2.98507
14 4FE2 ADP 0.001205 0.48296 3.13725
15 3VPC ADP 0.000313 0.48364 3.19149
16 2CFM AMP 0.01306 0.43387 3.22581
17 3NEM ATP 0.0285 0.41597 3.22581
18 5TT6 ATP 0.01765 0.40417 3.22581
19 4OOE FOM 0.01528 0.42272 3.51906
20 4FFG 0U8 0.02973 0.42068 3.51906
21 4WA2 SIA GAL NAG 0.04577 0.41231 3.51906
22 3LL5 ATP 0.01506 0.41017 3.61446
23 4NS0 PIO 0.007876 0.45616 3.7594
24 5EFW FMN 0.02279 0.40461 4.13793
25 1EPB REA 0.005999 0.43925 4.26829
26 2CDO GAL AAL GAL AAL GAL AAL 0.001771 0.48921 4.375
27 4Z28 BTN 0.02024 0.42383 4.47761
28 4RJD TFP 0.04978 0.41026 4.54545
29 3P7N FMN 0.01432 0.41419 4.65116
30 5MW8 ATP 0.000004179 0.42166 4.69208
31 5K8S CMP 0.01186 0.4213 4.72973
32 3JQB DX6 0.04217 0.4143 4.86111
33 4IAW LIZ 0.01534 0.43019 5.85106
34 3QUG GIX 0.02383 0.42397 6.34921
35 5MRH Q9Z 0.005424 0.45861 6.45161
36 3TM0 ANP 0.0007644 0.43659 6.84411
37 3TM0 B31 0.0009193 0.43077 6.84411
38 2ZHL NAG GAL GAL NAG 0.001999 0.4717 7.43243
39 5IQD RIO 0.0004817 0.40349 7.54098
40 5IQD GNP 0.0004329 0.40337 7.54098
41 2HKA C3S 0.02142 0.40304 7.69231
42 4OCJ NDG 0.000583 0.40282 7.91789
43 3BU1 HSM 0.01097 0.44574 8.10811
44 3W0O HY0 0.001843 0.42699 8.21114
45 3W0O ADP 0.001843 0.42699 8.21114
46 3Q60 ATP 0.0000001537 0.42283 8.79765
47 5AIG VPR 0.02775 0.41658 8.8
48 2GC0 PAN 0.02338 0.40703 9.04255
49 3LRE ADP 0.01116 0.45292 9.38416
50 1W2D ADP 0.0007325 0.49944 9.81132
51 1W2D 4IP 0.003566 0.41806 9.81132
52 5E89 TD2 0.009032 0.43052 10.0719
53 2IVD ACJ 0.04781 0.40069 10.2639
54 5FPX GLY SER SER HIS HIS HIS HIS HIS 0.01487 0.41342 10.6195
55 3T50 FMN 0.02728 0.40089 10.9375
56 4JNJ BTN 0.02961 0.4082 12.1739
57 2YW2 ATP 0.01055 0.41735 12.3167
58 4O1P ANP 0.000000007426 0.45149 12.9032
59 3A6T 8OG 0.02431 0.4093 13.1783
60 4OAV ACP 0.0000000584 0.42689 13.4897
61 4N70 2HX 0.000001411 0.50505 14.939
62 1HGX 5GP 0.03319 0.41616 15.3005
63 4DFU QUE 0.01872 0.43395 16.1491
64 1LFO OLA 0.006686 0.42983 16.4062
65 4ASE AV9 0.000003202 0.43548 16.4223
66 5MY8 RXZ 0.000001987 0.43508 17.3021
67 1TQP ATP 0.000003901 0.55872 17.3759
68 5BVE 4VG 0.000001002 0.52338 17.5953
69 4H3Q ANP 0.0000000005366 0.51572 17.5953
70 4H3P ANP 0.000000006861 0.46546 17.5953
71 4AG8 AXI 0.000004691 0.51079 17.7215
72 5U6C 7YS 0.00000008305 0.45445 18.0952
73 5LXT ACP 0.002487 0.43947 19.5804
74 4KBA 1QM 0.00008722 0.48762 19.9396
75 5W4W 9WG 0.00002416 0.42688 19.9396
76 4Y0X ADP 0.000001219 0.40285 20.5333
77 5C03 AGS 0.000004104 0.4056 21.9941
78 4LRJ ANP 0.0000004445 0.41142 22.4852
79 2PZI AXX 0.0000472 0.5549 22.5806
80 4JR7 GNP 0.000000004298 0.4653 23.1672
81 4CRL C1I 0.000001697 0.46576 24.0469
82 4Y85 499 0.0000006469 0.4121 24.0964
83 4IJP 1EH 0.0000001166 0.44722 24.3402
84 5JKG 6LF 0.000004402 0.46588 24.4373
85 2PVF ACP 0.000000003403 0.45581 24.6334
86 1VJY 460 0.000000003016 0.54199 24.7525
87 4K33 ACP 0.000000001016 0.47997 25.2308
88 3RI1 3RH 0.0000001121 0.4761 25.2396
89 3GQI ACP 0.00000001079 0.45559 25.8065
90 4XH0 ADP 0.000005342 0.63346 26.393
91 5UR1 YY9 0.000003482 0.48268 26.6881
92 4BFM ANP 0.000000007523 0.47851 26.9461
93 5USZ SKE 0.00000001824 0.49779 26.9896
94 3PE2 E1B 0.00002411 0.46127 27.003
95 4YLL 4E3 0.0000003054 0.45269 27.2727
96 5IH9 6BF 0.0000003847 0.49458 27.566
97 3KN5 ANP 0.000001532 0.40607 27.6923
98 2Y6O 1N1 0.000000721 0.42564 27.8351
99 4P5Z Q7M 0.000004282 0.46692 27.8592
100 1Q8Y ADP 0.00000002043 0.46429 27.8592
101 1CM8 ANP 0.00000008704 0.4303 28.1525
102 5JZJ AN2 0.000000001015 0.47073 28.2828
103 4CLI 5P8 0.000001358 0.49836 28.4404
104 4YZC STU 0.00000007001 0.52125 28.4457
105 5EOB 5QQ 0.000000147 0.54494 28.5266
106 5KO1 6UY 0.00000003485 0.43251 28.6219
107 5M06 ADP 0.0000005377 0.40058 28.6232
108 2H8H H8H 0.000000006807 0.45261 28.739
109 1Y57 MPZ 0.000000422 0.44615 28.739
110 1BYG STU 0.00000009258 0.42362 28.777
111 3QCQ 3Q0 0.0000006316 0.54943 29.0323
112 4WNK 453 0.0000009954 0.46578 29.0323
113 5CEO 50D 0.0000004299 0.41545 29.0323
114 5NKB 8ZT 0.000006847 0.48748 29.4118
115 1OUK 084 0.000009497 0.51526 29.6188
116 4QTB 38Z 0.00000001701 0.50527 29.6188
117 5TA6 79D 0.000002854 0.44004 29.6188
118 3TKI S25 0.000008668 0.48333 29.7214
119 2JDR L20 0.0000003267 0.5356 29.912
120 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.0000003267 0.5356 29.912
121 4WB6 ATP 0.00000001103 0.5021 29.912
122 5BYZ 4WE 0.000000507 0.47941 29.912
123 3MVH WFE 0.0000006234 0.46909 29.912
124 4Y93 746 0.0000002444 0.45794 29.912
125 4I94 ANP 0.0000004106 0.41011 30
126 4IDT T28 0.00000001903 0.44458 30.0562
127 3HMO STU 0.000000366 0.40966 30.117
128 3PLS ANP 0.000000001809 0.46119 30.2013
129 3SXF BK5 0.00000002871 0.52179 30.2053
130 3FHI ANP 0.000000004876 0.50994 30.2053
131 2QCS ANP 0.000000005492 0.50926 30.2053
132 1RE8 BD2 0.000001658 0.49999 30.2053
133 3IDB ANP 0.00000005738 0.46339 30.2053
134 2YAB AMP 0.0000001138 0.43903 30.2053
135 3EKK GS2 0.00000136 0.4801 30.2932
136 3BU5 ATP 0.000000002606 0.46494 30.3922
137 4L9I 8PR 0.0000003103 0.41931 30.4985
138 2GU8 796 0.0000005259 0.52727 30.5638
139 1XJD STU 0.000001745 0.41942 30.7918
140 3UIM ANP 0.00000001239 0.45614 30.9816
141 4AT3 LTI 0.0000005348 0.46496 31.1037
142 5HCY 60D 0.000000004289 0.5809 31.1178
143 5TO8 7FM 0.00001813 0.45041 31.2057
144 3NW7 LGV 0.00001125 0.4723 31.2704
145 3KRL KRL 0.000008649 0.40386 31.3433
146 5LI1 ANP 0.00000003837 0.46757 31.3783
147 5UKL SIX 0.0000009673 0.45687 31.3783
148 3V8S 0HD 0.00000007592 0.42668 31.3783
149 4OH4 ANP 0.000000000376 0.48362 31.5315
150 5LPZ ADP 0.0000000002826 0.4872 31.6265
151 4OTH DRN 0.00000007812 0.4584 31.6716
152 5JFS 6K0 0.000001973 0.48371 31.8182
153 1K3A ACP 0.00000008113 0.41301 32.107
154 5HVJ ANP 0.000001645 0.66345 32.381
155 3LXN MI1 0.00000003029 0.46236 32.3899
156 2XVD AS6 0.00000007375 0.48522 32.5513
157 4M69 ANP 0.000000008977 0.47727 32.5879
158 2X2M X2M 0.00000006559 0.456 32.8025
159 4FG8 ATP 0.00000002663 0.4634 33.0159
160 4U0I 0LI 0.00001449 0.42958 33.0159
161 5VCV 1N1 0.000000003366 0.49648 33.119
162 5UIU 8CG 0.000000009633 0.51282 33.1269
163 5HES 032 0.000000004983 0.48338 33.1378
164 3KRR DQX 0.000000427 0.5385 33.2203
165 5LVP ATP 0.000000009382 0.42814 33.3333
166 2RIO ADP 0.0000000008606 0.46697 33.4311
167 5MJA 7O3 0.0000001487 0.41123 33.4426
168 5N87 N66 0.0000008693 0.48328 33.5463
169 3LXK MI1 0.0000004324 0.46683 33.6391
170 4G31 0WH 0.000001623 0.53622 33.7793
171 4EUU BX7 0.000001587 0.44074 33.8558
172 3G5D 1N1 0.0000001701 0.54407 33.9161
173 4F9C 0SX 0.0000005465 0.42043 34.0176
174 3BZ3 YAM 0.00002314 0.43109 34.4203
175 4GJ3 0XP 0.00000003371 0.50823 34.7682
176 4CSV STI 0.000003502 0.41621 34.9091
177 4C2V YJA 0.0000025 0.45279 35.0877
178 5LPB ADP 0.0000000003947 0.44065 35.473
179 4FL3 ANP 0.000000001439 0.49789 35.4839
180 4XV1 904 0.00000006797 0.50754 35.6164
181 5VC5 96M 0.000000009347 0.50375 35.6401
182 2Z7R STU 0.00000001562 0.47645 35.8255
183 4C2W ANP 0.00000002572 0.41089 35.8423
184 4E1Z 0MX 0.000001653 0.43361 36.0825
185 4WNP 3RJ 0.000000007572 0.43308 36.2369
186 2HK5 1BM 0.00000007552 0.44659 36.2963
187 2PVN P63 0.00000006952 0.4892 36.3636
188 5G1X ADP 0.000000005214 0.45134 36.4912
189 5L8L ADP 0.000000008493 0.42059 36.4912
190 4TWP AXI 0.0000008982 0.50742 36.5314
191 4YZN 4K5 0.000000004694 0.49413 36.5854
192 5EYK 5U5 0.0000004766 0.46114 36.5942
193 5EFQ ADP 0.0000001148 0.43577 36.6569
194 5AWM ANP 0.0000000642 0.4072 36.6569
195 5LXM ADP 0.00000001095 0.44606 36.7491
196 2OFV 242 0.000005495 0.45746 36.8231
197 4CQE CQE 0.0000004921 0.43682 37.4101
198 5H2U 1N1 0.0000003522 0.41553 37.4532
199 5FBN 5WF 0.00000000211 0.55592 37.6384
200 5DA3 58V 0.00000001794 0.7406 37.7358
201 5EW9 5VC 0.0000002171 0.57667 38.3764
202 1OPK P16 0.00005574 0.48435 38.7097
203 4NST ADP 0.0000002403 0.42868 38.7097
204 1PHK ATP 0.000000002822 0.47695 39.0029
205 4BCM T7Z 0.0000007462 0.41066 39.5349
206 4WHZ 3NL 0.0000007552 0.51417 39.8827
207 2WU6 DKI 0.00000000334 0.49081 39.8827
208 5LXC 7AA 0.0000000535 0.42911 39.8827
209 2XMY CDK 0.000000006488 0.6034 39.9329
210 3GNI ATP 0.000000002173 0.48074 40.176
211 5X8I SQZ 0.00000004478 0.44627 40.176
212 3F7Z 34O 0.000001247 0.41307 40.4692
213 3E7O 35F 0.000005959 0.44555 40.7625
214 2JLD AG1 0.0000001141 0.50199 41.349
215 3SXS PP2 0.0000000451 0.44646 41.4179
216 3C0G 3AM 0.000002113 0.42471 41.6422
217 4JDI ANP 0.00000006099 0.45154 41.9355
218 3M2W L8I 0.0000005753 0.40585 42.1405
219 4A4X JUP 0.000000922 0.45081 42.2939
220 3CY2 MB9 0.000002892 0.42689 42.8571
221 5JGA 6KC 0.00000002165 0.51642 43.4921
222 5DRB 5FJ 0.00000001945 0.56431 43.6426
223 4BHN BH9 0.0000001998 0.43913 43.7126
224 2F57 23D 0.0000005176 0.40193 43.8486
225 4U44 3D9 0.0000006858 0.41837 44.2771
226 2B9H ADP 0.00000004874 0.45018 44.2815
227 2B9F ADP 0.0000000274 0.4499 44.2815
228 2B9J ADP 0.00000005047 0.43873 44.2815
229 3SRV S19 0.00000000994 0.45016 44.4043
230 5A6N U7E 0.0000004111 0.42713 44.8763
231 4F4P 0SB 0.0000002353 0.54294 45.0549
232 5DBX ANP 0.00000004709 0.41602 45.7317
233 5DEY 59T 0.0000009348 0.51626 45.7912
234 2YAK OSV 0.00000003052 0.50332 47.0175
235 3O0G 3O0 0.0000001599 0.42068 47.2603
236 1UNH IXM 0.00000003537 0.41686 47.2603
237 2WEI VGG 0.0000001146 0.41794 47.3868
238 5HQ0 LZ9 0.0000000659 0.4466 48.3444
239 4L3L 5FI 0.0000126 0.4304 48.3553
240 2X4Z X4Z 0.0000000315 0.52157 48.6486
241 5AX9 4KT 0.0000001715 0.42946 49.6753
242 4QMN DB8 0.000004551 0.45942 49.6774
243 4USF 6UI 0.0000004447 0.44461 50
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