Receptor
PDB id Resolution Class Description Source Keywords
3P8Z 1.7 Å EC: 2.1.1.57 DENGUE METHYLTRANSFERASE BOUND TO A SAM-BASED INHIBITOR DENGUE VIRUS 3 METHYLTRANSFERASE RNA ER TRANSFERASE-TRANSFERASE INHIBITO
Ref.: SMALL MOLECULE INHIBITORS THAT SELECTIVELY BLOCK DE VIRUS METHYLTRANSFERASE J.BIOL.CHEM. V. 286 6233 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
36A A:263;
Valid;
none;
submit data
508.978 C21 H25 Cl N6 O5 S c1cc(...
SAH C:263;
Valid;
none;
submit data
384.411 C14 H20 N6 O5 S c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5CUQ 1.7 Å EC: 2.1.1.57 IDENTIFICATION AND CHARACTERIZATION OF NOVEL BROAD SPECTRUM OF THE FLAVIVIRUS METHYLTRANSFERASE DENGUE VIRUS 3 INHIBITOR COMPLEX DENGUE VIRUS METHYLTRANSFERASE VIRAL PINHIBITOR COMPLEX
Ref.: IDENTIFICATION AND CHARACTERIZATION OF NOVEL BROAD-INHIBITORS OF THE FLAVIVIRUS METHYLTRANSFERASE. ACS INFECT DIS. V. 1 340 2015
Members (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 5E9Q - SAM C15 H22 N6 O5 S C[S@@+](CC....
2 5EHG - 5O0 C20 H16 Cl N3 O6 S c1cc(cc(c1....
3 5EKX - 2CQ C7 H9 Cl N2 Cc1cc(c(cc....
4 4R8S - SFG C15 H23 N7 O5 c1nc(c2c(n....
5 4CTJ - 3A9 C9 H8 O3 c1cc2c(cc1....
6 4CTK - SAM C15 H22 N6 O5 S C[S@@+](CC....
7 5EC8 - 5LP C15 H14 Cl N3 O3 Cc1ccc(c(c....
8 5EIW - X0V C7 H7 F3 N2 c1cc(c(cc1....
9 3P8Z - SAH C14 H20 N6 O5 S c1nc(c2c(n....
10 5CUQ ic50 = 7.7 uM NSC C21 H20 N6 O Cc1cc(c2cc....
11 5EIF - 4M0 C8 H9 N O2 Cc1ccc(c(c....
12 5EHI - 5O3 C20 H17 Cl N4 O5 S c1cc(cc(c1....
13 3P97 - SAM C15 H22 N6 O5 S C[S@@+](CC....
70% Homology Family (24)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 211 families.
1 2P3L - G3A C20 H27 N10 O17 P3 c1nc(c2c(n....
2 2P41 - G1G C22 H32 N10 O18 P3 Cn1c[n+](c....
3 1L9K - SAH C14 H20 N6 O5 S c1nc(c2c(n....
4 5M5B - SAM C15 H22 N6 O5 S C[S@@+](CC....
5 5GOZ - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
6 5GP1 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
7 5KQR - SAM C15 H22 N6 O5 S C[S@@+](CC....
8 5ULP Kd = 24.3 uM KB1 C21 H26 F N7 O5 c1cc(ccc1C....
9 5WXB - SAH C14 H20 N6 O5 S c1nc(c2c(n....
10 5KQS - SAM C15 H22 N6 O5 S C[S@@+](CC....
11 3EVG - SAH C14 H20 N6 O5 S c1nc(c2c(n....
12 2PX8 - MGT C11 H20 N5 O14 P3 CN1CN(C2=C....
13 2PX2 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
14 2PX4 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
15 5EKX - 2CQ C7 H9 Cl N2 Cc1cc(c(cc....
16 4R8S - SFG C15 H23 N7 O5 c1nc(c2c(n....
17 4CTJ - 3A9 C9 H8 O3 c1cc2c(cc1....
18 4CTK - SAM C15 H22 N6 O5 S C[S@@+](CC....
19 5EIW - X0V C7 H7 F3 N2 c1cc(c(cc1....
20 3P8Z - SAH C14 H20 N6 O5 S c1nc(c2c(n....
21 5CUQ ic50 = 7.7 uM NSC C21 H20 N6 O Cc1cc(c2cc....
22 5EIF - 4M0 C8 H9 N O2 Cc1ccc(c(c....
23 5EHI - 5O3 C20 H17 Cl N4 O5 S c1cc(cc(c1....
24 3P97 - SAM C15 H22 N6 O5 S C[S@@+](CC....
50% Homology Family (45)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3EVA - SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 3EVC - SAH C14 H20 N6 O5 S c1nc(c2c(n....
3 3EVF - SAH C14 H20 N6 O5 S c1nc(c2c(n....
4 3EVB - SAH C14 H20 N6 O5 S c1nc(c2c(n....
5 3EVD - SAH C14 H20 N6 O5 S c1nc(c2c(n....
6 3EVE - SAH C14 H20 N6 O5 S c1nc(c2c(n....
7 3ELU - SAM C15 H22 N6 O5 S C[S@@+](CC....
8 3ELW - SAM C15 H22 N6 O5 S C[S@@+](CC....
9 3EMD - SFG C15 H23 N7 O5 c1nc(c2c(n....
10 3ELD - SFG C15 H23 N7 O5 c1nc(c2c(n....
11 3ELY - SAH C14 H20 N6 O5 S c1nc(c2c(n....
12 3EMB - SAM C15 H22 N6 O5 S C[S@@+](CC....
13 2P3L - G3A C20 H27 N10 O17 P3 c1nc(c2c(n....
14 2P41 - G1G C22 H32 N10 O18 P3 Cn1c[n+](c....
15 1L9K - SAH C14 H20 N6 O5 S c1nc(c2c(n....
16 5M5B - SAM C15 H22 N6 O5 S C[S@@+](CC....
17 5GOZ - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
18 5GP1 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
19 5KQR - SAM C15 H22 N6 O5 S C[S@@+](CC....
20 5ULP Kd = 24.3 uM KB1 C21 H26 F N7 O5 c1cc(ccc1C....
21 5MRK - SFG C15 H23 N7 O5 c1nc(c2c(n....
22 5WXB - SAH C14 H20 N6 O5 S c1nc(c2c(n....
23 5KQS - SAM C15 H22 N6 O5 S C[S@@+](CC....
24 3LKZ - SFG C15 H23 N7 O5 c1nc(c2c(n....
25 3EVG - SAH C14 H20 N6 O5 S c1nc(c2c(n....
26 2PX5 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
27 2PXA - SAH C14 H20 N6 O5 S c1nc(c2c(n....
28 2PX8 - MGT C11 H20 N5 O14 P3 CN1CN(C2=C....
29 2PX2 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
30 2PX4 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
31 5E9Q - SAM C15 H22 N6 O5 S C[S@@+](CC....
32 5EHG - 5O0 C20 H16 Cl N3 O6 S c1cc(cc(c1....
33 5EKX - 2CQ C7 H9 Cl N2 Cc1cc(c(cc....
34 4R8S - SFG C15 H23 N7 O5 c1nc(c2c(n....
35 4CTJ - 3A9 C9 H8 O3 c1cc2c(cc1....
36 4CTK - SAM C15 H22 N6 O5 S C[S@@+](CC....
37 5EC8 - 5LP C15 H14 Cl N3 O3 Cc1ccc(c(c....
38 5EIW - X0V C7 H7 F3 N2 c1cc(c(cc1....
39 3P8Z - SAH C14 H20 N6 O5 S c1nc(c2c(n....
40 5CUQ ic50 = 7.7 uM NSC C21 H20 N6 O Cc1cc(c2cc....
41 5EIF - 4M0 C8 H9 N O2 Cc1ccc(c(c....
42 5EHI - 5O3 C20 H17 Cl N4 O5 S c1cc(cc(c1....
43 3P97 - SAM C15 H22 N6 O5 S C[S@@+](CC....
44 3GCZ - SAM C15 H22 N6 O5 S C[S@@+](CC....
45 2WA2 - SAM C15 H22 N6 O5 S C[S@@+](CC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 36A; Similar ligands found: 11
No: Ligand ECFP6 Tc MDL keys Tc
1 36A 1 1
2 TT8 0.683168 0.88
3 SAH 0.586538 0.90411
4 SXZ 0.45082 0.835443
5 5X8 0.446429 0.876712
6 A7D 0.441441 0.864865
7 SIB 0.440678 0.844156
8 6K6 0.433333 0.710843
9 DSH 0.409091 0.88
10 6IA 0.40678 0.704545
11 2SA 0.4 0.717647
Ligand no: 2; Ligand: SAH; Similar ligands found: 197
No: Ligand ECFP6 Tc MDL keys Tc
1 SAH 1 1
2 5X8 0.759494 0.969697
3 A7D 0.734177 0.926471
4 TT8 0.709302 0.970588
5 SXZ 0.692308 0.916667
6 DSH 0.692308 0.914286
7 DTA 0.666667 0.857143
8 3DH 0.662338 0.869565
9 S8M 0.655556 0.901408
10 SFG 0.635294 0.954545
11 SA8 0.62069 0.915493
12 EEM 0.617977 0.890411
13 MTA 0.615385 0.869565
14 SAI 0.613636 0.955882
15 S7M 0.586957 0.916667
16 36A 0.586538 0.90411
17 K15 0.583333 0.878378
18 RAB 0.573333 0.84058
19 ADN 0.573333 0.84058
20 XYA 0.573333 0.84058
21 62X 0.572917 0.855263
22 5CD 0.571429 0.852941
23 0UM 0.5625 0.876712
24 5N5 0.558442 0.84058
25 A4D 0.551282 0.867647
26 SAM 0.537634 0.916667
27 SSA 0.536842 0.712644
28 SMM 0.536842 0.88
29 KB1 0.534653 0.902778
30 A5D 0.532609 0.857143
31 SIB 0.53125 0.928571
32 EP4 0.530864 0.819444
33 DSZ 0.530612 0.732558
34 GSU 0.53 0.752941
35 AMP 0.529412 0.763158
36 A 0.529412 0.763158
37 5CA 0.525773 0.712644
38 ME8 0.524752 0.8125
39 M2T 0.52439 0.821918
40 6RE 0.523256 0.824324
41 GJV 0.522727 0.813333
42 AAT 0.515789 0.863014
43 LSS 0.515152 0.696629
44 KAA 0.514852 0.727273
45 J7C 0.511364 0.835616
46 A5A 0.510417 0.697674
47 SON 0.505495 0.805195
48 SRP 0.505155 0.805195
49 5AL 0.5 0.779221
50 VMS 0.5 0.681818
51 KH3 0.5 0.866667
52 ADX 0.5 0.694118
53 CA0 0.5 0.769231
54 AMP MG 0.5 0.74359
55 AMO 0.5 0.805195
56 54H 0.5 0.681818
57 AHX 0.49505 0.753086
58 TSB 0.494949 0.689655
59 53H 0.494949 0.674157
60 G5A 0.494737 0.712644
61 A2D 0.494382 0.74359
62 ABM 0.494382 0.74359
63 ZAS 0.494253 0.808219
64 A6D 0.490196 0.759494
65 8QN 0.49 0.779221
66 GEK 0.49 0.956522
67 GAP 0.489583 0.769231
68 A3S 0.48913 0.884058
69 AN2 0.48913 0.734177
70 S4M 0.488889 0.831169
71 SRA 0.488636 0.746835
72 LAD 0.485437 0.810127
73 52H 0.484848 0.674157
74 A12 0.483516 0.759494
75 BA3 0.483516 0.74359
76 AP2 0.483516 0.759494
77 AOC 0.483146 0.842857
78 NEC 0.483146 0.788732
79 Y3J 0.481481 0.768116
80 NVA LMS 0.480392 0.696629
81 VRT 0.479167 0.861111
82 50T 0.478723 0.734177
83 5AS 0.478261 0.655556
84 B4P 0.478261 0.74359
85 ADP 0.478261 0.74359
86 AP5 0.478261 0.74359
87 A3N 0.477778 0.830986
88 YSA 0.476636 0.712644
89 XAH 0.476636 0.768293
90 0XU 0.473684 0.897059
91 WAQ 0.471154 0.807692
92 NSS 0.470588 0.712644
93 5AD 0.468354 0.791045
94 ADP MG 0.468085 0.734177
95 AU1 0.468085 0.725
96 M33 0.468085 0.734177
97 MAO 0.467391 0.797468
98 TXA 0.466667 0.759494
99 A3G 0.466667 0.871429
100 NB8 0.466667 0.775
101 3AM 0.465909 0.727273
102 DAL AMP 0.465347 0.779221
103 ATP 0.463158 0.74359
104 ADP BEF 0.463158 0.716049
105 A3T 0.463158 0.842857
106 BEF ADP 0.463158 0.716049
107 ACP 0.463158 0.746835
108 7D7 0.4625 0.785714
109 LEU LMS 0.461538 0.677778
110 APC 0.458333 0.759494
111 AQP 0.458333 0.74359
112 APR 0.458333 0.766234
113 PRX 0.458333 0.746835
114 AR6 0.458333 0.766234
115 5FA 0.458333 0.74359
116 IOT 0.456897 0.761905
117 4AD 0.456311 0.794872
118 PAJ 0.456311 0.722892
119 WSA 0.45614 0.72093
120 FA5 0.453704 0.805195
121 YAP 0.453704 0.794872
122 RBY 0.453608 0.782051
123 ADV 0.453608 0.782051
124 ADP PO3 0.453608 0.763158
125 AD9 0.453608 0.725
126 SAP 0.453608 0.728395
127 AGS 0.453608 0.728395
128 PTJ 0.45283 0.731707
129 MHZ 0.452632 0.797468
130 00A 0.451923 0.740741
131 A3P 0.451613 0.74026
132 YLP 0.451327 0.771084
133 7MD 0.45045 0.768293
134 ALF ADP 0.45 0.707317
135 ADP ALF 0.45 0.707317
136 ATP MG 0.44898 0.734177
137 2VA 0.447917 0.819444
138 OOB 0.446602 0.779221
139 ANP 0.444444 0.725
140 ACQ 0.444444 0.746835
141 TAT 0.444444 0.7375
142 P5A 0.443396 0.719101
143 7D5 0.443182 0.708861
144 ARG AMP 0.442478 0.759036
145 A1R 0.442308 0.7625
146 YLC 0.439655 0.790123
147 2AM 0.438202 0.717949
148 DLL 0.438095 0.779221
149 A22 0.436893 0.734177
150 D3Y 0.436893 0.859155
151 TYR AMP 0.436364 0.782051
152 ATF 0.435644 0.716049
153 MYR AMP 0.435185 0.746988
154 SO8 0.434343 0.808219
155 3UK 0.433962 0.769231
156 OAD 0.433962 0.769231
157 TAD 0.433628 0.765432
158 25A 0.432692 0.74359
159 ANP MG 0.431373 0.707317
160 VO4 ADP 0.431373 0.734177
161 ADP VO4 0.431373 0.734177
162 9SN 0.431193 0.731707
163 TYM 0.431034 0.805195
164 PR8 0.429907 0.8
165 ADQ 0.428571 0.746835
166 YLB 0.42735 0.771084
167 3OD 0.425926 0.769231
168 FYA 0.425926 0.779221
169 1ZZ 0.425926 0.746988
170 PPS 0.425743 0.674419
171 NVA 2AD 0.424242 0.808219
172 MAP 0.423077 0.707317
173 A2P 0.421053 0.727273
174 4YB 0.421053 0.735632
175 ADP BMA 0.420561 0.746835
176 5SV 0.419048 0.731707
177 3NZ 0.416667 0.824324
178 YLA 0.416667 0.771084
179 48N 0.413793 0.753086
180 LPA AMP 0.413793 0.768293
181 AYB 0.413223 0.761905
182 QQY 0.413043 0.696203
183 ACK 0.413043 0.710526
184 JB6 0.412844 0.7625
185 BIS 0.412844 0.719512
186 PAP 0.41 0.730769
187 OVE 0.408602 0.7125
188 4UV 0.40708 0.75
189 AMP DBH 0.40708 0.746835
190 3AD 0.406977 0.852941
191 AF3 ADP 3PG 0.40678 0.743902
192 OMR 0.40678 0.738095
193 LAQ 0.405172 0.768293
194 A A 0.40367 0.74359
195 7C5 0.403509 0.789474
196 7MC 0.403361 0.75
197 4UU 0.4 0.75
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5CUQ; Ligand: NSC; Similar sites found: 268
This union binding pocket(no: 1) in the query (biounit: 5cuq.bio1) has 33 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4IRP UDP 0.04347 0.40633 1.19522
2 2W58 ADP 0.03651 0.41675 1.48515
3 1KYQ NAD 0.005747 0.42571 1.49813
4 1XTP SAI 0.00001761 0.53665 1.5748
5 5CK5 GDP 0.03052 0.40851 1.87266
6 4J0Q GDP 0.04376 0.40021 1.87266
7 2A14 SAH 0.002867 0.42552 1.90114
8 1JJ7 ADP 0.04021 0.41479 1.92308
9 1QAN SAH 0.000007785 0.53572 2.04918
10 4DYG NAG NAG NAG NAG 0.03992 0.40619 2.04918
11 1XDS SAM 0.0003397 0.49296 2.13904
12 5E72 SAM 0.00001403 0.52475 2.24719
13 3A27 SAM 0.00003298 0.52425 2.24719
14 5F8F SFG 0.0001888 0.49987 2.24719
15 3QOX SAH 0.00009568 0.48459 2.24719
16 1U2Z SAH 0.0002394 0.4678 2.24719
17 3FUU ADN 0.0009069 0.45465 2.24719
18 2PT9 S4M 0.0004193 0.45028 2.24719
19 3BP1 GUN 0.01297 0.43867 2.24719
20 5MW4 5JU 0.0001114 0.41834 2.24719
21 2PT9 2MH 0.000747 0.41309 2.24719
22 1OFZ FUC 0.04354 0.40695 2.24719
23 2I7C AAT 0.001218 0.406 2.24719
24 2ZFU SAH 0.00009701 0.49323 2.32558
25 3FGZ BEF 0.02512 0.40682 2.34375
26 1JG3 ADN 0.0002494 0.48426 2.55319
27 5LOG SAH 0.0001363 0.49137 2.57511
28 3GU3 SAH 0.000001982 0.61771 2.62172
29 4UCI SAM 0.00000111 0.58459 2.62172
30 4KRG SAH 0.000006022 0.56421 2.62172
31 3VSE SAH 0.00001864 0.56099 2.62172
32 3TLJ SAH 0.000003464 0.54533 2.62172
33 3O7W SAM 0.0002266 0.50149 2.62172
34 5KVA SAM 0.00005691 0.49863 2.62172
35 1V59 NAD 0.001103 0.47307 2.62172
36 4RW3 TDA 0.008052 0.45707 2.62172
37 3ITJ CIT 0.003346 0.45624 2.62172
38 1NV8 MEQ 0.0002231 0.45431 2.62172
39 1NV8 SAM 0.0002847 0.44684 2.62172
40 4BLW SAH 0.0007643 0.43643 2.62172
41 4RW3 PLM 0.03932 0.42496 2.62172
42 3GRU AMP 0.004366 0.41462 2.62172
43 4BLW AMP 0.001069 0.40837 2.62172
44 4TQG NDP 0.00356 0.40445 2.62172
45 5GWX SAM 0.005902 0.40092 2.62172
46 5GWX SAR 0.005902 0.40092 2.62172
47 3A4M ADP 0.03037 0.41264 2.69231
48 2YFB SIN 0.0109 0.43604 2.71318
49 3GDH SAH 0.0000002365 0.58829 2.90456
50 2HNK SAH 0.0001058 0.49158 2.92887
51 1SQF SAM 0.000004031 0.5658 2.99625
52 3T7S SAM 0.00001068 0.54653 2.99625
53 4C4A SAH 0.00001365 0.53597 2.99625
54 2ZIF SAM 0.00002458 0.52456 2.99625
55 5X62 SAH 0.0000441 0.52404 2.99625
56 1QZZ SAM 0.0002629 0.49836 2.99625
57 5GM1 SAH 0.00005389 0.49509 2.99625
58 2ZWA SAH 0.002743 0.42635 2.99625
59 3HQP FDP 0.01278 0.42017 2.99625
60 2IF8 ADP 0.02768 0.41482 2.99625
61 4XFR CIT 0.03372 0.41419 2.99625
62 3PPQ CHT 0.02989 0.41248 2.99625
63 3EC1 GDP 0.04175 0.4013 2.99625
64 5N5D SAM 0.0005724 0.46357 3.09735
65 3DUW SAH 0.0005247 0.46525 3.13901
66 3G89 SAM 0.00001433 0.55964 3.21285
67 2VDV SAM 0.00001018 0.56684 3.25203
68 4JLS 3ZE 0.02651 0.41711 3.28947
69 5E1M PRO PRO LYS ARG ILE ALA 0.0006959 0.41434 3.3195
70 5E1M SAH 0.0006959 0.41434 3.3195
71 4YMH SAH 0.0001303 0.48762 3.33333
72 1G55 SAH 0.000002139 0.57188 3.37079
73 5MPT SAH 0.00001029 0.54727 3.37079
74 2UYQ SAM 0.0003155 0.52161 3.37079
75 5IL1 SAM 0.0003352 0.47841 3.37079
76 5K7U SAM 0.0004054 0.47465 3.37079
77 2AOT SAH 0.0007989 0.47014 3.37079
78 1L1E SAH 0.0009203 0.45046 3.37079
79 1TPY SAH 0.0009663 0.44582 3.37079
80 1KPH SAH 0.0009721 0.44571 3.37079
81 1KPG SAH 0.001036 0.44453 3.37079
82 3COB ADP 0.01344 0.43553 3.37079
83 3X01 AMP 0.01353 0.43213 3.37079
84 4AG5 ADP 0.02495 0.41933 3.37079
85 1JQ3 AAT 0.001068 0.41206 3.37079
86 4EUE NAI 0.001487 0.41112 3.37079
87 3R9V DXC 0.03729 0.40999 3.37079
88 1SW1 PBE 0.04256 0.406 3.37079
89 3EGI ADP 0.0006109 0.50351 3.39806
90 5GVR LMR 0.006394 0.46305 3.4188
91 4R6W SAH 0.002788 0.40108 3.48837
92 3P2E SAH 0.001507 0.44109 3.55556
93 5E50 ALA TYR ASP GLU SEP TPO ASP GLU GLU 0.04412 0.40002 3.6036
94 3L1N PLM 0.037 0.40799 3.60825
95 4XUC 43G 0.0008665 0.41142 3.66972
96 4XUC SAM 0.0008665 0.41142 3.66972
97 3OFK SAH 0.007013 0.40881 3.7037
98 5E9W SAH 0.000008423 0.5781 3.74532
99 5DNK SAH 0.00005277 0.54534 3.74532
100 4DCM SAM 0.0001053 0.51191 3.74532
101 3A25 SAM 0.0004853 0.47109 3.74532
102 5JGL SAM 0.001158 0.45809 3.74532
103 3LCC SAH 0.00001967 0.54033 3.82979
104 2FKA BEF 0.02697 0.40502 3.87597
105 4V3I ASP LEU THR ARG PRO 0.0229 0.42188 3.89105
106 3FZG SAM 0.003593 0.43913 4
107 1UNQ 4IP 0.03398 0.41116 4
108 4NAE 1GP 0.04985 0.40261 4
109 1IM8 SAI 0.0000133 0.53098 4.09836
110 5THY SAH 0.00000424 0.55271 4.11985
111 5THZ SAH 0.00001141 0.52352 4.11985
112 1YXM ADE 0.0002871 0.51383 4.11985
113 3VC1 SAH 0.00004734 0.49747 4.11985
114 4AZT SAM 0.0001999 0.48863 4.11985
115 2DPM SAM 0.0002008 0.47512 4.11985
116 1ZQ9 SAM 0.0004142 0.47423 4.11985
117 4AZW SAM 0.0003793 0.47154 4.11985
118 3LCV SAM 0.005748 0.40958 4.11985
119 1BXK NAD 0.003419 0.40513 4.11985
120 3VC1 GST 0.0006359 0.40035 4.11985
121 5FA8 SAM 0.0001047 0.48294 4.34783
122 2YX1 SFG 0.0000009061 0.61779 4.49438
123 3M6W SAM 0.00004884 0.52774 4.49438
124 1WG8 SAM 0.00001209 0.51758 4.49438
125 3S1S SAH 0.00006984 0.49035 4.49438
126 3B6H MXD 0.004022 0.46569 4.49438
127 1ZMD NAI 0.002895 0.41615 4.49438
128 3WBZ ATP 0.02148 0.4089 4.49438
129 4POO SAM 0.0001393 0.47364 4.5
130 3WV8 ATP 0.01304 0.40287 4.58716
131 3JWH SAH 0.000008029 0.57913 4.60829
132 1XX6 ADP 0.01408 0.43438 4.71204
133 3FRH SAH 0.002519 0.4247 4.74308
134 3A4T SFG 0.000001602 0.5652 4.86891
135 1N2X SAM 0.000006079 0.53503 4.86891
136 3DMH SAM 0.00004674 0.5071 4.86891
137 4PNE SAH 0.00007358 0.4894 4.86891
138 3DMH GMP 0.0002341 0.45348 4.86891
139 1GOJ ADP 0.007892 0.44895 4.86891
140 5L95 AMP 0.005028 0.42142 4.86891
141 3H8V ATP 0.008133 0.4153 4.86891
142 1W8D NAP 0.004279 0.41206 4.86891
143 1W73 NAP 0.008045 0.40068 4.86891
144 4ONQ SFG 0.000006995 0.55491 5.24345
145 4KRI SAH 0.00009431 0.49376 5.24345
146 3TKY SAH 0.0001254 0.49299 5.24345
147 1Z3C SA8 0.0001007 0.46078 5.24345
148 2O07 MTA 0.001127 0.42667 5.24345
149 2O07 SPD 0.001713 0.41402 5.24345
150 4X60 SFG 0.0002731 0.40765 5.24345
151 4X60 3XV 0.0003138 0.40196 5.24345
152 5JE0 AZ8 0.00003704 0.47364 5.26316
153 5JE0 SAH 0.00003704 0.47364 5.26316
154 3W68 4PT 0.04184 0.40136 5.26316
155 4NEC SAH 0.000007355 0.56675 5.30303
156 1Q0S SAH 0.0000307 0.50083 5.40541
157 4FZV SAM 0.0000005313 0.59218 5.43933
158 3DXY SAM 0.0006968 0.48297 5.50459
159 1P1C SAH 0.001844 0.43042 5.52764
160 1DL5 SAH 0.00001474 0.50495 5.61798
161 1Y8Q ATP 0.002228 0.4238 5.61798
162 1VE3 SAM 0.0001363 0.4962 5.72687
163 1L3I SAH 0.000003988 0.53248 5.72917
164 1I1N SAH 0.00003994 0.48365 5.75221
165 1WY7 SAH 0.000009268 0.53247 5.7971
166 4OBW SAM 0.0008584 0.45982 5.83658
167 1NW5 SAM 0.000009693 0.5426 5.99251
168 2AWN ADP 0.01674 0.44239 5.99251
169 2FK8 SAM 0.001591 0.44005 5.99251
170 1TZD ADP 0.02264 0.42044 5.99251
171 2PK3 A2R 0.006442 0.4166 5.99251
172 4N9Z V3L 0.03595 0.41333 5.99251
173 2VHL GLP 0.03014 0.4088 5.99251
174 1ZN7 HSX 0.02509 0.40914 6.11111
175 1ZN7 ADE 0.02509 0.40914 6.11111
176 4IWN GEK 0.0001134 0.48148 6.11354
177 1G6H ADP 0.04649 0.41034 6.22568
178 5HJM MTA 0.000007368 0.54791 6.36704
179 4KIB SAH 0.00001369 0.54764 6.36704
180 1RJD SAM 0.001513 0.44101 6.36704
181 4N14 WR7 0.01487 0.42659 6.36704
182 4LHD GLY 0.0269 0.41662 6.36704
183 2WHX ADP 0.03379 0.41347 6.36704
184 4M73 M72 0.000342 0.41269 6.36704
185 4M73 SAH 0.0004854 0.41094 6.36704
186 5XLX SAH 0.01102 0.40927 6.36704
187 1W5T ADP 0.0165 0.40432 6.36704
188 1W2D ADP 0.02265 0.41142 6.41509
189 3MQ2 SAH 0.000699 0.46827 6.42202
190 2BZG SAH 0.0003692 0.4765 6.46552
191 2VT3 ATP 0.02509 0.40551 6.51163
192 2PZE ATP 0.03662 0.41667 6.55022
193 3PT9 SAH 0.000001579 0.58432 6.74157
194 3C3Y SAH 0.00007441 0.5031 6.75105
195 5N1X 8HH 0.0001204 0.48597 6.77966
196 3HVJ 705 0.00009893 0.43137 6.78733
197 3WUR O4B 0.004218 0.46076 7.01754
198 2XVM SAH 0.00000787 0.57226 7.03518
199 3BXO SAM 0.00004937 0.53359 7.11297
200 2EG5 SAH 0.00002544 0.54755 7.11611
201 4LWP SAH 0.00009061 0.50427 7.11611
202 3O01 DXC 0.02103 0.43434 7.11611
203 3Q87 SAM 0.0005013 0.45427 7.2
204 3G2O SAM 0.00001829 0.5359 7.35786
205 3H2B SAH 0.00006321 0.50626 7.38916
206 2PXX SAH 0.00001073 0.54062 7.44186
207 2JJQ SAH 0.000004715 0.58305 7.49064
208 5KOK SAH 0.000005601 0.55322 7.49064
209 1I9G SAM 0.00001051 0.53546 7.49064
210 1KYZ SAH 0.0004342 0.47789 7.49064
211 3I53 SAH 0.0006277 0.45774 7.49064
212 5KOK S9T 0.0006083 0.41606 7.49064
213 4BWL MN9 0.03059 0.4122 7.49064
214 5KOK R9T 0.001435 0.40723 7.49064
215 3WY9 GDP 0.03899 0.40287 7.49064
216 4F8L AES 0.0359 0.41309 7.58621
217 2JHP SAH 0.000461 0.47668 7.86517
218 2NXE SAM 0.0003336 0.47851 7.87402
219 1R18 SAH 0.00001712 0.52103 7.92952
220 1F3L SAH 0.00009353 0.48937 8.2397
221 4LJ9 ACP 0.02295 0.41113 8.2397
222 3OU2 SAH 0.00005415 0.48642 8.25688
223 5M58 SAH 0.0003583 0.47265 8.26087
224 1Z0N BCD 0.005268 0.46635 8.33333
225 1G60 SAM 0.000004962 0.55557 8.46154
226 5XVK SAH 0.001385 0.43566 8.61423
227 4DMG SAM 0.0001488 0.51623 8.98876
228 5MGZ SAH 0.0001071 0.49604 8.98876
229 5E8J SAH 0.000003041 0.5923 9.09091
230 5TB5 GDP 0.01946 0.4075 9.33333
231 3LRE ADP 0.01317 0.43595 9.3633
232 5KIQ SIA GAL NAG FUC 0.02193 0.42058 9.64467
233 5BW4 SAM 0.0001815 0.49548 9.73783
234 5XVQ SAH 0.0004705 0.45543 9.73783
235 3L9W AMP 0.0006696 0.42666 10.1124
236 1WPQ 13P 0.01707 0.42659 10.1124
237 3L9W GSH 0.001934 0.41469 10.1124
238 2BOS GLA GAL GLC 0.01051 0.43484 10.2941
239 2BOS GLA GAL GLC NBU 0.01283 0.42876 10.2941
240 2EJU SAH 0.00006228 0.51169 10.4869
241 4QTU SAM 0.000001723 0.57607 11.1111
242 3EGV SAH 0.0004575 0.47683 11.5646
243 2G50 ALA 0.02346 0.42022 11.6105
244 3GWZ SAH 0.0004471 0.48717 11.985
245 3GXO SAH 0.001288 0.46029 11.985
246 3WFD AXO 0.02132 0.40708 12.3596
247 5DX1 SFG 0.00006394 0.48349 13.1086
248 5DX8 SFG 0.0001193 0.48055 13.1086
249 5DXA SFG 0.0001231 0.47997 13.1086
250 5DWQ SFG 0.0001659 0.47051 13.1086
251 5DX0 SFG 0.0002759 0.45767 13.1086
252 4CS9 AMP 0.001951 0.49116 13.2275
253 3IWD M2T 0.04124 0.40542 13.2353
254 5FTW SAH 0.0006328 0.45758 13.6719
255 3BGD SAH 0.000583 0.45151 14.6154
256 3BGD PM6 0.001501 0.42178 14.6154
257 1PVC ILE SER GLU VAL 0.01168 0.42242 14.7059
258 5TVI O8N 0.0004319 0.51371 15.2174
259 3VYW SAM 0.0000449 0.50787 15.3558
260 4II2 ATP 0.004185 0.42165 15.6627
261 2XYQ SAH 0.0001007 0.50219 16.3934
262 1HTW ADP 0.02895 0.40593 17.7215
263 3X0D SAH 0.0001315 0.49207 19.4757
264 2Y69 CHD 0.01019 0.44735 21.6216
265 5W97 CHD 0.01705 0.42914 22.9358
266 1LSS NAD 0.0001892 0.48053 23.5714
267 4U00 ADP 0.03478 0.41929 24.1803
268 1EJ0 SAM 0.00000002392 0.66715 40
269 5FA5 MTA 0.00007734 0.51827 50
Pocket No.: 2; Query (leader) PDB : 5CUQ; Ligand: NSC; Similar sites found: 19
This union binding pocket(no: 2) in the query (biounit: 5cuq.bio2) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4BQS ADP 0.02183 0.40038 None
2 3BWN PMP 0.01027 0.41653 2.24719
3 3QPB URA 0.02172 0.40996 2.62172
4 5LXB 7A9 0.02925 0.40514 2.62172
5 1MFI FHC 0.01719 0.41849 2.63158
6 3I5C C2E 0.02976 0.40217 2.91262
7 3HQP OXL 0.01899 0.42399 2.99625
8 2GJP MAL 0.03901 0.4036 3.74532
9 5BTX CMP 0.007148 0.43181 4.10959
10 2VVG ADP 0.03125 0.40857 4.49438
11 5GJC ATP 0.0221 0.40012 4.49438
12 1UH4 GLC GLC GLC GLC GLC GLC 0.01586 0.41705 4.86891
13 2XT3 ADP 0.0297 0.40464 5.99251
14 5BQ5 ADP BEF 0.005707 0.42055 6.34921
15 5CDH TLA 0.02489 0.40562 7.11611
16 3H4S ADP 0.03677 0.40329 7.40741
17 2CBZ ATP 0.02162 0.4195 9.2827
18 5TCI MLI 0.02435 0.40718 9.73783
19 1O5I NAD 0.007327 0.40137 13.6546
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