Receptor
PDB id Resolution Class Description Source Keywords
3P97 1.7 Å EC: 2.1.1.57 DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO THE SUBSTRATE S-ADEN METHIONINE DENGUE VIRUS 3 2-prime O METHYLTRANSFERASE N7 METHYLTRANSFERASE NS3 TRANSFERASTRANSFERASE INHIBITOR COMPLEX
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
SAM A:263;
C:263;
Valid;
Valid;
none;
none;
submit data
398.437 C15 H22 N6 O5 S C[S@@...
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: SAM; Similar ligands found: 192
No: Ligand ECFP6 Tc MDL keys Tc
1 SAM 1 1
2 SMM 0.792683 0.96
3 S4M 0.6875 0.909091
4 S7M 0.670455 0.945946
5 M2T 0.636364 0.878378
6 GEK 0.612903 0.931507
7 SAI 0.571429 0.878378
8 XYA 0.565789 0.773333
9 ADN 0.565789 0.773333
10 RAB 0.565789 0.773333
11 5CD 0.564103 0.783784
12 EP4 0.5625 0.826667
13 SA8 0.56044 0.945205
14 SFG 0.555556 0.875
15 5X8 0.555556 0.888889
16 5N5 0.551282 0.773333
17 A4D 0.544304 0.797297
18 EEM 0.542553 0.945946
19 SAH 0.537634 0.916667
20 DTA 0.536585 0.789474
21 62X 0.535354 0.884615
22 MTA 0.53012 0.875
23 3DH 0.517647 0.849315
24 AMP MG 0.511364 0.710843
25 5AL 0.510417 0.743902
26 VMS 0.510204 0.673913
27 54H 0.510204 0.673913
28 0UM 0.51 0.857143
29 A 0.505747 0.707317
30 AMP 0.505747 0.707317
31 ABM 0.505618 0.753086
32 A5A 0.505155 0.688889
33 DAL AMP 0.50505 0.765432
34 NVA LMS 0.504951 0.725275
35 K15 0.5 0.883117
36 6RE 0.5 0.78481
37 5AD 0.5 0.75
38 SSA 0.5 0.684783
39 SON 0.5 0.746988
40 SRP 0.5 0.746988
41 LSS 0.49505 0.706522
42 CA0 0.494624 0.714286
43 A12 0.494505 0.705882
44 AP2 0.494505 0.705882
45 ME8 0.490385 0.841463
46 5CA 0.49 0.684783
47 TSB 0.49 0.681319
48 53H 0.49 0.666667
49 ACP 0.489362 0.694118
50 5AS 0.48913 0.648936
51 ADP 0.48913 0.690476
52 A2D 0.488889 0.690476
53 J7C 0.488889 0.772152
54 ZAS 0.488636 0.769231
55 8QN 0.485149 0.743902
56 GAP 0.484536 0.73494
57 AN2 0.483871 0.682353
58 A3S 0.483871 0.813333
59 A7D 0.483871 0.851351
60 GJV 0.483516 0.775
61 SRA 0.483146 0.694118
62 LAD 0.480769 0.752941
63 KAA 0.480769 0.698925
64 GSU 0.480769 0.722222
65 AMO 0.480392 0.746988
66 DSZ 0.480392 0.703297
67 52H 0.48 0.666667
68 ADP MG 0.478723 0.702381
69 M33 0.478723 0.722892
70 MAO 0.478261 0.82716
71 BA3 0.478261 0.690476
72 AOC 0.477778 0.776316
73 DSH 0.477778 0.842105
74 NEC 0.477778 0.75
75 SXZ 0.47619 0.894737
76 AHX 0.475728 0.701149
77 Y3J 0.47561 0.706667
78 G5A 0.474227 0.684783
79 A3T 0.473684 0.8
80 ADP BEF 0.473684 0.686047
81 BEF ADP 0.473684 0.686047
82 B4P 0.473118 0.690476
83 AP5 0.473118 0.690476
84 A3N 0.472527 0.766234
85 KB1 0.471698 0.833333
86 LEU LMS 0.471154 0.706522
87 APC 0.46875 0.705882
88 PRX 0.46875 0.73494
89 PAJ 0.466019 0.712644
90 4AD 0.466019 0.759036
91 RBY 0.463918 0.72619
92 ADP PO3 0.463918 0.728395
93 ADV 0.463918 0.72619
94 ADX 0.463158 0.666667
95 MHZ 0.463158 0.82716
96 AU1 0.463158 0.674419
97 YAP 0.462963 0.738095
98 TXA 0.462264 0.72619
99 NB8 0.462264 0.72093
100 A3G 0.461538 0.802632
101 VRT 0.459184 0.842105
102 ATP MG 0.459184 0.702381
103 YSA 0.458716 0.684783
104 XAH 0.458716 0.715909
105 50T 0.458333 0.682353
106 ATP 0.458333 0.690476
107 7D7 0.45679 0.723684
108 ANP MG 0.455446 0.678161
109 KH3 0.455357 0.871795
110 ACQ 0.454545 0.694118
111 AQP 0.453608 0.690476
112 5FA 0.453608 0.690476
113 AR6 0.453608 0.710843
114 APR 0.453608 0.710843
115 NSS 0.451923 0.703297
116 FA5 0.449541 0.746988
117 AGS 0.44898 0.678161
118 SAP 0.44898 0.678161
119 A5D 0.44898 0.789474
120 AD9 0.44898 0.674419
121 PTJ 0.448598 0.72093
122 YLB 0.448276 0.758621
123 YLP 0.447368 0.738636
124 D3Y 0.446602 0.792208
125 ADP ALF 0.445545 0.678161
126 ALF ADP 0.445545 0.678161
127 TYR AMP 0.445455 0.746988
128 MYR AMP 0.444444 0.776471
129 3AM 0.444444 0.674699
130 OAD 0.443396 0.73494
131 2VA 0.443299 0.779221
132 OOB 0.442308 0.722892
133 S8M 0.442308 0.831169
134 ADP VO4 0.441176 0.702381
135 VO4 ADP 0.441176 0.702381
136 ANP 0.44 0.674419
137 TAT 0.44 0.686047
138 WAQ 0.439252 0.75
139 ARG AMP 0.438596 0.727273
140 YLC 0.435897 0.755814
141 AAT 0.435644 0.797468
142 3OD 0.435185 0.73494
143 1ZZ 0.435185 0.755814
144 NVA 2AD 0.434343 0.815789
145 DLL 0.433962 0.722892
146 00A 0.433962 0.689655
147 7MD 0.433628 0.715909
148 ATF 0.431373 0.666667
149 SO8 0.43 0.792208
150 3UK 0.429907 0.714286
151 A6D 0.429907 0.72619
152 5SV 0.428571 0.741176
153 AMP DBH 0.428571 0.714286
154 WSA 0.42735 0.692308
155 TYM 0.42735 0.746988
156 9SN 0.427273 0.681818
157 AHZ 0.426087 0.755814
158 A A 0.425926 0.710843
159 3NZ 0.425926 0.807692
160 P5A 0.425926 0.691489
161 PR8 0.425926 0.744186
162 A1R 0.424528 0.709302
163 2A5 0.424242 0.674419
164 7MC 0.423729 0.719101
165 7D5 0.422222 0.658824
166 FYA 0.422018 0.722892
167 JB6 0.422018 0.709302
168 AYB 0.421488 0.75
169 PLP AAD 0.419355 0.764045
170 A22 0.419048 0.682353
171 MAP 0.419048 0.659091
172 2AM 0.417582 0.666667
173 TAD 0.417391 0.712644
174 A3P 0.416667 0.686747
175 ADP BMA 0.416667 0.714286
176 25A 0.415094 0.690476
177 YLA 0.413223 0.719101
178 ADQ 0.411215 0.694118
179 48N 0.410256 0.72093
180 0XU 0.41 0.824324
181 NAD IBO 0.406504 0.717647
182 7D3 0.40625 0.643678
183 PAP 0.405941 0.678571
184 OVE 0.404255 0.662791
185 4UV 0.403509 0.697674
186 ALF ADP 3PG 0.403361 0.712644
187 AF3 ADP 3PG 0.403361 0.712644
188 LA8 ALF 3PG 0.403361 0.712644
189 3AD 0.402299 0.783784
190 CMP 0.402062 0.691358
191 2BA 0.402062 0.682927
192 7C5 0.4 0.731707
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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