Receptor
PDB id Resolution Class Description Source Keywords
3EMD 2 Å EC: 2.1.1.57 WESSELSBRON VIRUS METHYLTRANSFERASE IN COMPLEX WITH SINEFUNG 7MEGPPPA WESSELSBRON VIRUS FLAVIVIRUS RNA CAPPING METHYLTRANSFERASE GUANYLYLTRANSFERVIRAL ENZYME STRUCTURE TRANSFERASE
Ref.: RECOGNITION OF RNA CAP IN THE WESSELSBRON VIRUS NS5 METHYLTRANSFERASE DOMAIN: IMPLICATIONS FOR RNA-CAPP MECHANISMS IN FLAVIVIRUS J.MOL.BIOL. V. 385 140 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GTA A:401;
Valid;
none;
submit data
787.441 C21 H30 N10 O17 P3 C[n+]...
SFG A:293;
Valid;
none;
submit data
381.387 C15 H23 N7 O5 c1nc(...
SO4 A:402;
A:403;
A:404;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3ELW 1.9 Å EC: 2.1.1.57 WESSELSBRON VIRUS METHYLTRANSFERASE IN COMPLEX WITH ADOMET A WESSELSBRON VIRUS FLAVIVIRUS RNA CAPPING METHYLTRANSFERASE GUANYLYLTRANSFERVIRAL ENZYME STRUCTURE TRANSFERASE
Ref.: RECOGNITION OF RNA CAP IN THE WESSELSBRON VIRUS NS5 METHYLTRANSFERASE DOMAIN: IMPLICATIONS FOR RNA-CAPP MECHANISMS IN FLAVIVIRUS J.MOL.BIOL. V. 385 140 2009
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3ELU - SAM C15 H22 N6 O5 S C[S@@+](CC....
2 3ELW - SAM C15 H22 N6 O5 S C[S@@+](CC....
3 3EMD - SFG C15 H23 N7 O5 c1nc(c2c(n....
4 3ELD - SFG C15 H23 N7 O5 c1nc(c2c(n....
5 3ELY - SAH C14 H20 N6 O5 S c1nc(c2c(n....
6 3EMB - SAM C15 H22 N6 O5 S C[S@@+](CC....
70% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 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....
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: GTA; Similar ligands found: 280
No: Ligand ECFP6 Tc MDL keys Tc
1 GTA 1 1
2 6G0 0.729167 0.974684
3 MGP 0.71875 0.974684
4 BA3 0.703297 0.886076
5 G3A 0.698113 0.962025
6 AP5 0.695652 0.886076
7 B4P 0.695652 0.886076
8 G5P 0.691589 0.962025
9 GTG 0.688679 1
10 AQP 0.666667 0.886076
11 5FA 0.666667 0.886076
12 A2D 0.663043 0.886076
13 ATP 0.65625 0.886076
14 G7M 0.652632 0.962025
15 SAP 0.642857 0.843373
16 AGS 0.642857 0.843373
17 M33 0.628866 0.898734
18 ADP 0.625 0.886076
19 A4P 0.62069 0.862069
20 AN2 0.618557 0.875
21 AR6 0.616162 0.8625
22 APR 0.616162 0.8625
23 ANP 0.613861 0.864198
24 AD9 0.61 0.864198
25 ACP 0.606061 0.864198
26 ACQ 0.598039 0.864198
27 ADX 0.59596 0.784091
28 ATF 0.586538 0.853659
29 PRX 0.584158 0.819277
30 UP5 0.581197 0.865854
31 CA0 0.58 0.864198
32 AMP 0.578947 0.860759
33 A 0.578947 0.860759
34 ABM 0.57732 0.8625
35 50T 0.574257 0.851852
36 A1R 0.574074 0.811765
37 ADQ 0.574074 0.864198
38 T5A 0.570248 0.818182
39 A22 0.570093 0.898734
40 5SV 0.564815 0.781609
41 OAD 0.563636 0.8875
42 25L 0.5625 0.898734
43 5AL 0.561905 0.875
44 3OD 0.553571 0.8875
45 TAT 0.552381 0.853659
46 AMP MG 0.55102 0.817073
47 8QN 0.550459 0.875
48 A12 0.55 0.853659
49 AP2 0.55 0.853659
50 GDP 7MG 0.547009 0.974684
51 MAP 0.541284 0.843373
52 SRA 0.540816 0.819277
53 CNA 0.540323 0.9
54 BIS 0.539823 0.833333
55 1ZZ 0.539823 0.795455
56 APC 0.538462 0.853659
57 SRP 0.537037 0.831325
58 MG7 0.536842 0.8625
59 3UK 0.535714 0.8875
60 ADP MG 0.533981 0.829268
61 AU1 0.533981 0.864198
62 4TC 0.532787 0.845238
63 4AD 0.531532 0.865854
64 PAJ 0.531532 0.835294
65 WAQ 0.530973 0.811765
66 PR8 0.530973 0.784091
67 ADP BEF 0.528846 0.809524
68 BEF ADP 0.528846 0.809524
69 GP3 0.528302 0.962025
70 00A 0.526786 0.833333
71 AHX 0.526786 0.823529
72 OMR 0.52459 0.806818
73 25A 0.522523 0.886076
74 OOB 0.522523 0.875
75 AFH 0.521008 0.813953
76 48N 0.520661 0.890244
77 139 0.52 0.825581
78 ADV 0.518868 0.831325
79 ADP PO3 0.518868 0.860759
80 RBY 0.518868 0.831325
81 AMO 0.517857 0.853659
82 LAD 0.517544 0.793103
83 4UV 0.516949 0.843373
84 ATP MG 0.514019 0.829268
85 DLL 0.513274 0.875
86 TXA 0.513043 0.876543
87 NB8 0.513043 0.823529
88 FYA 0.513043 0.829268
89 ME8 0.513043 0.816092
90 PTJ 0.513043 0.845238
91 4UU 0.508333 0.843373
92 9SN 0.504274 0.845238
93 TXD 0.504065 0.855422
94 DND 0.504065 0.9
95 NXX 0.504065 0.9
96 4UW 0.504065 0.857143
97 ADP ALF 0.5 0.8
98 DAL AMP 0.5 0.875
99 ALF ADP 0.5 0.8
100 TXE 0.5 0.855422
101 G A A A 0.496124 0.9375
102 AP0 0.496 0.845238
103 UPA 0.496 0.855422
104 XAH 0.495798 0.775281
105 VO4 ADP 0.495495 0.851852
106 ANP MG 0.495495 0.821429
107 GTP 0.495495 0.936709
108 ADP VO4 0.495495 0.851852
109 GAP 0.495413 0.841463
110 SON 0.495238 0.853659
111 NAX 0.491935 0.825581
112 6V0 0.491935 0.845238
113 NAI 0.491935 0.855422
114 7D4 0.490566 0.807229
115 ITT 0.490566 0.8375
116 FA5 0.487395 0.853659
117 YAP 0.487395 0.843373
118 GSP 0.486726 0.891566
119 NAD 0.484615 0.898734
120 COD 0.484615 0.771739
121 YLP 0.483871 0.777778
122 MYR AMP 0.483051 0.795455
123 U A G G 0.480916 0.949367
124 FDA 0.475524 0.831461
125 BTX 0.473282 0.777778
126 ADJ 0.472868 0.786517
127 YLB 0.472441 0.777778
128 YLC 0.472441 0.795455
129 6FA 0.472222 0.882353
130 5AS 0.471698 0.723404
131 ADP BMA 0.470085 0.864198
132 GDP 0.468468 0.936709
133 2A5 0.46789 0.819277
134 A3D 0.466165 0.911392
135 A A 0.466102 0.886076
136 FAS 0.465753 0.892857
137 SFD 0.465753 0.773196
138 FAD 0.465753 0.892857
139 A2R 0.464912 0.875
140 GCP 0.464912 0.91358
141 G1R 0.464912 0.925
142 TYM 0.464567 0.853659
143 GNH 0.464286 0.925
144 AHZ 0.464 0.816092
145 LAQ 0.464 0.775281
146 PAP 0.463636 0.873418
147 ATR 0.463636 0.860759
148 4TA 0.462121 0.806818
149 AOC 0.461538 0.731707
150 TSB 0.46087 0.777778
151 BT5 0.458647 0.769231
152 5N5 0.458333 0.728395
153 P5F 0.458065 0.885057
154 AYB 0.458015 0.769231
155 MGO 0.45614 0.879518
156 YLY 0.455882 0.769231
157 5CD 0.453608 0.716049
158 FNK 0.453333 0.804348
159 7D3 0.45283 0.807229
160 ADN 0.452632 0.75
161 XYA 0.452632 0.75
162 RAB 0.452632 0.75
163 NAE 0.452555 0.9125
164 54H 0.452174 0.75
165 VMS 0.452174 0.75
166 7C5 0.451613 0.8625
167 FB0 0.451389 0.765957
168 ATP A A A 0.45082 0.873418
169 YLA 0.450382 0.758242
170 FAY 0.450331 0.903614
171 EAD 0.45 0.847059
172 JB6 0.45 0.811765
173 NAQ 0.449275 0.890244
174 GNP 0.448276 0.91358
175 A5A 0.447368 0.766667
176 RFL 0.447368 0.883721
177 GKE 0.447154 0.925926
178 GDD 0.447154 0.925926
179 GDC 0.447154 0.925926
180 ZID 0.446043 0.911392
181 NAD IBO 0.443609 0.865854
182 AMP DBH 0.443548 0.864198
183 SSA 0.443478 0.741935
184 Z5A 0.442857 0.8
185 IOT 0.442748 0.829545
186 3AT 0.442478 0.8625
187 G2R 0.441667 0.902439
188 NSS 0.440678 0.76087
189 MGQ 0.440678 0.95
190 EP4 0.44 0.714286
191 52H 0.439655 0.741935
192 A4D 0.438776 0.728395
193 PPS 0.438596 0.784091
194 6AD 0.438596 0.857143
195 P1H 0.4375 0.827586
196 NVA LMS 0.436975 0.744681
197 ARU 0.436975 0.793103
198 3DH 0.436893 0.710843
199 7MD 0.436508 0.795455
200 AR6 AR6 0.436508 0.8625
201 5GP 0.436364 0.924051
202 G 0.436364 0.924051
203 53H 0.435897 0.741935
204 N0B 0.435714 0.777778
205 M2T 0.435644 0.717647
206 Y9Z 0.435484 0.872093
207 TYR AMP 0.435484 0.853659
208 A3P 0.435185 0.860759
209 F2N 0.433962 0.813187
210 G5A 0.433628 0.723404
211 NA7 0.433333 0.853659
212 LEU LMS 0.433333 0.744681
213 GKD 0.433071 0.925926
214 TAD 0.433071 0.813953
215 3AM 0.432692 0.825
216 AVV 0.432203 0.802326
217 GDR 0.432 0.95
218 GFB 0.432 0.95
219 NDC 0.431507 0.86747
220 MTA 0.431373 0.731707
221 GMV 0.431034 0.91358
222 ALF ADP 3PG 0.430769 0.793103
223 AF3 ADP 3PG 0.430769 0.793103
224 LA8 ALF 3PG 0.430769 0.793103
225 DTP 0.429825 0.807229
226 P5A 0.429752 0.693878
227 MGV 0.429752 0.904762
228 U G A 0.42953 0.903614
229 LSS 0.428571 0.726316
230 NDE 0.427586 0.924051
231 7MC 0.427481 0.797753
232 7D5 0.427184 0.783133
233 M24 0.42446 0.825581
234 5CA 0.423729 0.741935
235 CAG 0.423358 0.917647
236 128 0.423077 0.777778
237 FA9 0.42236 0.860465
238 ODP 0.422222 0.925926
239 MAO 0.422018 0.722222
240 A2P 0.422018 0.848101
241 JB2 0.421875 0.95
242 DTA 0.421569 0.722892
243 NGD 0.421053 0.974684
244 APC G U 0.42029 0.901235
245 NAJ PZO 0.42029 0.823529
246 ARG AMP 0.418605 0.848837
247 GPD 0.418605 0.915663
248 NAJ PYZ 0.41844 0.825581
249 GP2 0.417391 0.902439
250 6CK 0.417323 0.903614
251 DSZ 0.416667 0.741935
252 IMO 0.416667 0.825
253 GAV 0.416667 0.902439
254 DZD 0.416058 0.835294
255 RGT 0.416 0.876543
256 YGP 0.416 0.892857
257 62F 0.415584 0.837209
258 TPG 0.415493 0.855556
259 LPA AMP 0.415385 0.775281
260 GPG 0.414634 0.95
261 JB3 0.413534 0.938272
262 S4M 0.412844 0.655914
263 NJP 0.411765 0.9125
264 G2P 0.411765 0.902439
265 6RE 0.411215 0.761905
266 MHZ 0.410714 0.666667
267 AV2 0.410256 0.817073
268 GDX 0.407692 0.9375
269 KAA 0.406504 0.701031
270 GSU 0.406504 0.723404
271 V3L 0.405172 0.8625
272 DDS 0.405172 0.783133
273 PUA 0.404255 0.835294
274 A3N 0.40367 0.702381
275 J7C 0.40367 0.75
276 7DT 0.403509 0.873418
277 ZAS 0.401869 0.72619
278 YSA 0.401575 0.741935
279 SA8 0.4 0.693182
280 GGZ 0.4 0.741573
Ligand no: 2; Ligand: SFG; Similar ligands found: 218
No: Ligand ECFP6 Tc MDL keys Tc
1 SFG 1 1
2 0UM 0.689655 0.887324
3 SAI 0.654762 0.940298
4 SA8 0.642857 0.9
5 SAH 0.635294 0.954545
6 EEM 0.62069 0.875
7 5X8 0.619048 0.924242
8 S7M 0.606742 0.875
9 RAB 0.597222 0.850746
10 XYA 0.597222 0.850746
11 ADN 0.597222 0.850746
12 5CD 0.594595 0.863636
13 5N5 0.581081 0.850746
14 62X 0.574468 0.84
15 A4D 0.573333 0.850746
16 K15 0.568421 0.863014
17 DTA 0.564103 0.84058
18 6RE 0.560976 0.833333
19 SAM 0.555556 0.875
20 EP4 0.551282 0.802817
21 KB1 0.55102 0.887324
22 M2T 0.544304 0.780822
23 SMM 0.537634 0.84
24 MTA 0.5375 0.826087
25 ZAS 0.53012 0.816901
26 A 0.53012 0.77027
27 AMP 0.53012 0.77027
28 J7C 0.529412 0.84507
29 3DH 0.52439 0.826087
30 GJV 0.523256 0.821918
31 SON 0.522727 0.813333
32 0XU 0.522222 0.938462
33 SRP 0.521277 0.813333
34 SSA 0.521277 0.697674
35 AMP MG 0.517647 0.75
36 AOC 0.517647 0.826087
37 CA0 0.516854 0.776316
38 5AL 0.516129 0.786667
39 AMO 0.515464 0.813333
40 DSZ 0.515464 0.717647
41 GSU 0.515152 0.738095
42 KH3 0.514286 0.851351
43 A2D 0.511628 0.75
44 A3N 0.511628 0.814286
45 ABM 0.511628 0.75
46 A5A 0.510638 0.682353
47 5CA 0.510417 0.697674
48 SRA 0.505882 0.730769
49 S4M 0.505747 0.792208
50 AN2 0.505618 0.74026
51 A7D 0.505618 0.882353
52 A3S 0.505618 0.895522
53 GAP 0.505376 0.776316
54 LSS 0.5 0.681818
55 VMS 0.5 0.666667
56 DSH 0.5 0.871429
57 AP2 0.5 0.766234
58 LAD 0.5 0.818182
59 ADX 0.5 0.678571
60 BA3 0.5 0.75
61 M33 0.5 0.74026
62 A12 0.5 0.766234
63 KAA 0.5 0.712644
64 54H 0.5 0.666667
65 Y3J 0.5 0.80303
66 SXZ 0.49505 0.875
67 ME8 0.49505 0.775
68 AHX 0.494949 0.759494
69 TSB 0.494845 0.674419
70 53H 0.494845 0.659091
71 G5A 0.494624 0.697674
72 50T 0.494505 0.74026
73 AP5 0.494382 0.75
74 5AS 0.494382 0.640449
75 ADP 0.494382 0.75
76 B4P 0.494382 0.75
77 8QN 0.489796 0.786667
78 GEK 0.489796 0.913043
79 5AD 0.486842 0.828125
80 PAJ 0.484848 0.728395
81 52H 0.484536 0.659091
82 AU1 0.483516 0.730769
83 ADP MG 0.483516 0.74026
84 MAO 0.483146 0.782051
85 NEC 0.482759 0.797101
86 A3G 0.482759 0.882353
87 3AM 0.482353 0.733333
88 YAP 0.480769 0.802632
89 7D7 0.480519 0.794118
90 TXA 0.480392 0.766234
91 NB8 0.480392 0.782051
92 NVA LMS 0.48 0.681818
93 DAL AMP 0.479592 0.786667
94 ATF 0.479167 0.721519
95 ATP 0.478261 0.75
96 BEF ADP 0.478261 0.721519
97 ACP 0.478261 0.753247
98 ADP BEF 0.478261 0.721519
99 A3T 0.478261 0.852941
100 7MD 0.476636 0.775
101 XAH 0.47619 0.775
102 YSA 0.47619 0.697674
103 PRX 0.473118 0.753247
104 APR 0.473118 0.773333
105 AR6 0.473118 0.773333
106 AQP 0.473118 0.75
107 APC 0.473118 0.766234
108 5FA 0.473118 0.75
109 WAQ 0.470588 0.815789
110 4AD 0.47 0.802632
111 NSS 0.47 0.697674
112 AD9 0.468085 0.730769
113 RBY 0.468085 0.789474
114 AGS 0.468085 0.7125
115 SAP 0.468085 0.7125
116 ADV 0.468085 0.789474
117 ADP PO3 0.468085 0.77027
118 A5D 0.468085 0.84058
119 MHZ 0.467391 0.782051
120 FA5 0.466667 0.813333
121 PTJ 0.466019 0.7375
122 00A 0.465347 0.746835
123 D3Y 0.464646 0.869565
124 ATP MG 0.463158 0.74026
125 VRT 0.463158 0.871429
126 LEU LMS 0.460784 0.662921
127 OOB 0.46 0.786667
128 S8M 0.46 0.859155
129 ADP VO4 0.459184 0.74026
130 VO4 ADP 0.459184 0.74026
131 ACQ 0.458333 0.753247
132 TAT 0.458333 0.721519
133 ANP 0.458333 0.730769
134 AAT 0.453608 0.847222
135 2AM 0.453488 0.723684
136 FYA 0.451923 0.786667
137 YLC 0.451327 0.797468
138 DLL 0.45098 0.786667
139 A3P 0.450549 0.746667
140 YLP 0.45045 0.777778
141 A22 0.45 0.74026
142 ADP ALF 0.44898 0.7125
143 ALF ADP 0.44898 0.7125
144 TYR AMP 0.448598 0.789474
145 2VA 0.446809 0.828571
146 3UK 0.446602 0.776316
147 OAD 0.446602 0.776316
148 ANP MG 0.444444 0.7125
149 IOT 0.443478 0.768293
150 9SN 0.443396 0.7375
151 P5A 0.442308 0.704545
152 PR8 0.442308 0.807692
153 7D5 0.44186 0.714286
154 A1R 0.441176 0.769231
155 7C5 0.440367 0.797297
156 TT8 0.44 0.926471
157 YLA 0.439655 0.777778
158 YLB 0.438596 0.777778
159 1ZZ 0.438095 0.753086
160 3OD 0.438095 0.776316
161 BIS 0.438095 0.725
162 NVA 2AD 0.4375 0.816901
163 MAP 0.435644 0.7125
164 MYR AMP 0.433962 0.753086
165 NAI 0.433628 0.725
166 SO8 0.43299 0.816901
167 A6D 0.432692 0.74359
168 5SV 0.431373 0.7375
169 25A 0.431373 0.75
170 TYM 0.429825 0.813333
171 WSA 0.429825 0.705882
172 3NZ 0.428571 0.833333
173 ARG AMP 0.428571 0.765432
174 LAQ 0.428571 0.753086
175 ADQ 0.427184 0.753247
176 7MC 0.426087 0.756098
177 48N 0.424779 0.759494
178 LPA AMP 0.424779 0.753086
179 JB6 0.424528 0.746835
180 PPS 0.424242 0.658824
181 AYB 0.423729 0.768293
182 PAP 0.42268 0.736842
183 OVE 0.422222 0.696203
184 3AD 0.421687 0.863636
185 4YB 0.419643 0.72093
186 CMP 0.419355 0.753425
187 2BA 0.419355 0.743243
188 A2P 0.419355 0.733333
189 ADP BMA 0.419048 0.753247
190 4UV 0.418182 0.75641
191 ALF ADP 3PG 0.417391 0.75
192 LA8 ALF 3PG 0.417391 0.75
193 AHZ 0.415929 0.731707
194 QQX 0.41573 0.670886
195 A A 0.415094 0.75
196 AP0 0.413793 0.695122
197 ATP A A A 0.412844 0.76
198 RP1 0.411111 0.705128
199 QQY 0.411111 0.679487
200 SP1 0.411111 0.705128
201 ACK 0.411111 0.716216
202 AFH 0.410714 0.728395
203 4UU 0.410714 0.75641
204 DND 0.408696 0.766234
205 TXD 0.408696 0.725
206 NXX 0.408696 0.766234
207 7D3 0.408602 0.696203
208 25L 0.407407 0.74026
209 CC5 0.407407 0.876923
210 TAD 0.40708 0.75
211 AMP DBH 0.405405 0.753247
212 TXE 0.405172 0.725
213 OMR 0.405172 0.743902
214 AF3 ADP 3PG 0.405172 0.75
215 MTP 0.404762 0.72973
216 N0B 0.401575 0.777778
217 V3L 0.4 0.773333
218 YLY 0.4 0.768293
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3ELW; Ligand: SAM; Similar sites found: 89
This union binding pocket(no: 1) in the query (biounit: 3elw.bio1) has 38 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3A27 SAM 0.0002959 0.49246 2.20588
2 3A25 SAM 0.003377 0.44283 2.33333
3 4UCI SAM 0.000001295 0.42569 2.33333
4 1W73 NAP 0.01168 0.40331 2.33333
5 1G55 SAH 0.000002355 0.58451 2.66667
6 3G2O SAM 0.00003545 0.53568 2.67559
7 3DMH SAM 0.0001941 0.49188 3
8 3DMH GMP 0.0008212 0.44304 3
9 4IEE AGS 0.03405 0.4147 3
10 3G89 SAM 0.0001088 0.52912 3.21285
11 5E8J SAH 0.00003151 0.55598 3.33333
12 3M6W SAM 0.0002732 0.50389 3.33333
13 1C3V PDC 0.03205 0.42085 3.33333
14 1ZMD NAI 0.006315 0.41208 3.33333
15 3EGI ADP 0.001235 0.49791 3.39806
16 4DMG SAM 0.0002892 0.51351 3.66667
17 3VYW SAM 0.0002006 0.49123 3.66667
18 3S1S SAH 0.0005553 0.4636 3.66667
19 1GOJ ADP 0.03036 0.42259 3.66667
20 5THY SAH 0.00001228 0.40727 3.66667
21 5THZ SAH 0.00003855 0.40427 3.66667
22 3OFK SAH 0.01523 0.40347 3.7037
23 4BQS ADP 0.04042 0.41449 3.97727
24 2JJQ SAH 0.00001251 0.57598 4
25 2O07 MTA 0.001699 0.43019 4
26 2O07 SPD 0.001344 0.42869 4
27 4YUW 4JU 0.005927 0.41361 4
28 4YUW S4M 0.006061 0.4128 4
29 3MB5 SAM 0.000003038 0.4296 4.31373
30 1Y8Q ATP 0.003342 0.42662 4.33333
31 1LVL NAD 0.009146 0.41625 4.33333
32 4X60 SFG 0.0007872 0.41515 4.33333
33 4X60 3XV 0.0007186 0.4143 4.33333
34 2IF8 ADP 0.04334 0.4128 4.40771
35 5JE0 AZ8 0.0001888 0.40256 4.45344
36 5JE0 SAH 0.0001888 0.40256 4.45344
37 2VDV SAM 0.00001847 0.56755 4.47154
38 3OU2 SAH 0.000204 0.4748 4.58716
39 4A6D SAM 0.0003482 0.48468 4.66667
40 3GXO SAH 0.001568 0.46681 4.66667
41 4QTU SAM 0.000008709 0.55838 4.80769
42 1QAN SAH 0.00002832 0.40108 4.91803
43 4FZV SAM 0.000001874 0.41872 5
44 3LRE ADP 0.04226 0.41168 5
45 4E70 N7I 0.004346 0.4086 5
46 3DXY SAM 0.001117 0.48358 5.04587
47 1JQD HSM 0.006322 0.40945 5.13699
48 1JQD SAH 0.00439 0.40843 5.13699
49 1R18 SAH 0.00002214 0.40061 5.28634
50 3LST SAH 0.0002486 0.51122 5.33333
51 1XDS SAM 0.0002586 0.51037 5.33333
52 3TLJ SAH 0.000009828 0.53987 5.66667
53 1Z45 NAD 0.004101 0.40959 5.66667
54 4Q3F TLA 0.03085 0.41549 5.98291
55 3VC1 GST 0.0004871 0.42004 6
56 3VC1 SAH 0.0004871 0.41527 6
57 1EJ0 SAM 0.00000007877 0.44431 6.11111
58 4OBW SAM 0.001309 0.46216 6.22568
59 4M73 M72 0.0007807 0.40093 6.33333
60 1I9G SAM 0.00001878 0.40223 6.42857
61 4RDH AMP 0.03334 0.40162 6.59722
62 5DXA SFG 0.0004922 0.46588 7
63 3FZG SAM 0.00461 0.4439 8
64 1N2X SAM 0.00001337 0.41082 8
65 1IM8 SAI 0.0000592 0.51516 8.33333
66 2EWM NAD 0.002945 0.4128 8.43373
67 5XVQ SAH 0.001232 0.44853 8.4507
68 4NEC SAH 0.0000187 0.56076 8.71212
69 4F8L AES 0.04587 0.41625 8.96552
70 1KPG SAH 0.001095 0.45428 9.05923
71 2I7C AAT 0.002227 0.41263 9.18728
72 2EG5 SAH 0.0000349 0.55376 9.33333
73 1MZV AMP 0.03879 0.408 9.78723
74 3U31 NAD 0.004492 0.42707 10
75 1DL5 SAH 0.00004271 0.40476 11.3333
76 1L3I SAH 0.00002907 0.41228 11.4583
77 5HJM MTA 0.00002549 0.53692 12.3333
78 3MAG 3MA 0.0142 0.43105 12.3333
79 1I1N SAH 0.00008073 0.40338 12.3894
80 3GDH SAH 0.0000007555 0.5826 12.4481
81 1WG8 SAM 0.0000297 0.40481 12.9825
82 2FK8 SAM 0.001197 0.4562 16
83 3EGV SAH 0.001226 0.46765 16.1417
84 2NXE SAM 0.00104 0.46684 16.1417
85 2PWY SAH 0.00000811 0.4179 17.4419
86 3A4T SFG 0.00001644 0.40369 17.5182
87 1JQ3 AAT 0.002264 0.41237 21.9595
88 4M38 SAH 0.0001584 0.49586 23.8095
89 1JG3 ADN 0.001156 0.46469 36.5957
Pocket No.: 2; Query (leader) PDB : 3ELW; Ligand: GP3; Similar sites found: 78
This union binding pocket(no: 2) in the query (biounit: 3elw.bio1) has 38 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3A27 SAM 0.0003127 0.49246 2.20588
2 3A25 SAM 0.003544 0.44283 2.33333
3 4UCI SAM 0.00000176 0.41755 2.33333
4 1W73 NAP 0.008805 0.40951 2.33333
5 1G55 SAH 0.000002527 0.58451 2.66667
6 3G2O SAM 0.0000377 0.53568 2.67559
7 3DMH SAM 0.0002182 0.49073 3
8 3DMH GMP 0.0008921 0.44264 3
9 4IEE AGS 0.03893 0.41238 3
10 3G89 SAM 0.0001149 0.52912 3.21285
11 5E8J SAH 0.00003339 0.55598 3.33333
12 3M6W SAM 0.0002881 0.50389 3.33333
13 1C3V PDC 0.03541 0.41913 3.33333
14 1ZMD NAI 0.006635 0.41212 3.33333
15 3EGI ADP 0.00129 0.49791 3.39806
16 4DMG SAM 0.0003067 0.51334 3.66667
17 3VYW SAM 0.0002127 0.49123 3.66667
18 3S1S SAH 0.000599 0.46325 3.66667
19 5THY SAH 0.00001313 0.40297 3.66667
20 2Q8H TF4 0.04155 0.4007 3.66667
21 3OFK SAH 0.01788 0.40124 3.7037
22 4BQS ADP 0.04184 0.41449 3.97727
23 2JJQ SAH 0.00001329 0.57598 4
24 2O07 MTA 0.00154 0.43295 4
25 2O07 SPD 0.001428 0.42869 4
26 4YUW S4M 0.006432 0.41014 4
27 4YUW 4JU 0.006606 0.41014 4
28 3MB5 SAM 0.00000327 0.42478 4.31373
29 1Y8Q ATP 0.003524 0.42662 4.33333
30 1LVL NAD 0.009698 0.41602 4.33333
31 4X60 SFG 0.0008494 0.41508 4.33333
32 4X60 3XV 0.0007955 0.41387 4.33333
33 2VDV SAM 0.0000196 0.56755 4.47154
34 3OU2 SAH 0.0003178 0.46784 4.58716
35 4A6D SAM 0.0003988 0.48308 4.66667
36 3GXO SAH 0.001645 0.46681 4.66667
37 4QTU SAM 0.00001081 0.55539 4.80769
38 4FZV SAM 0.000002015 0.41385 5
39 4E70 N7I 0.00488 0.40758 5
40 3DXY SAM 0.001171 0.48358 5.04587
41 1JQD HSM 0.006663 0.40945 5.13699
42 1JQD SAH 0.005074 0.40691 5.13699
43 3LST SAH 0.000262 0.51122 5.33333
44 1XDS SAM 0.0002912 0.50893 5.33333
45 3TLJ SAH 0.00001054 0.53987 5.66667
46 1Z45 NAD 0.005387 0.40588 5.66667
47 4Q3F TLA 0.03181 0.41549 5.98291
48 3VC1 GST 0.0008541 0.41282 6
49 3VC1 SAH 0.0008541 0.40369 6
50 1EJ0 SAM 0.00000008524 0.43894 6.11111
51 4OBW SAM 0.001378 0.46216 6.22568
52 4RDH AMP 0.03468 0.40162 6.59722
53 4QVH FLC 0.04011 0.4112 6.66667
54 5DXA SFG 0.0006614 0.46137 7
55 3FZG SAM 0.004824 0.4439 8
56 1N2X SAM 0.00001653 0.40427 8
57 1IM8 SAI 0.00008109 0.5102 8.33333
58 2EWM NAD 0.003123 0.4128 8.43373
59 5XVQ SAH 0.001735 0.44308 8.4507
60 4NEC SAH 0.00002758 0.55379 8.71212
61 4F8L AES 0.04729 0.41625 8.96552
62 1KPG SAH 0.001378 0.45089 9.05923
63 2I7C AAT 0.002315 0.41301 9.18728
64 2EG5 SAH 0.00003698 0.55376 9.33333
65 1MZV AMP 0.0395 0.40842 9.78723
66 3U31 NAD 0.004685 0.42723 10
67 2W58 ADP 0.02446 0.43318 10.396
68 1DL5 SAH 0.00004735 0.40037 11.3333
69 1L3I SAH 0.00003295 0.40688 11.4583
70 5HJM MTA 0.00002925 0.53544 12.3333
71 3GDH SAH 0.000000818 0.5826 12.4481
72 2FK8 SAM 0.001293 0.45574 16
73 3EGV SAH 0.001289 0.46765 16.1417
74 2NXE SAM 0.001095 0.46684 16.1417
75 2PWY SAH 0.00000777 0.4148 17.4419
76 1JQ3 AAT 0.002835 0.40969 21.9595
77 4M38 SAH 0.0001681 0.49586 23.8095
78 1JG3 ADN 0.001217 0.46468 36.5957
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