Receptor
PDB id Resolution Class Description Source Keywords
3EVF 1.45 Å EC: 2.7.7.48 CRYSTAL STRUCTURE OF ME7-GPPPA COMPLEX OF YELLOW FEVER VIRUS METHYLTRANSFERASE AND S-ADENOSYL-L-HOMOCYSTEINE YELLOW FEVER VIRUS YELLOW FEVER VIRUS NS5 METHYLTRANSFERASE RNA CAP BINDING BINDING CAPSID PROTEIN CLEAVAGE ON PAIR OF BASIC RESIDUESENDOPLASMIC RETICULUM ENVELOPE PROTEIN GLYCOPROTEIN HELIHYDROLASE MEMBRANE METAL-BINDING MULTIFUNCTIONAL ENZYMENUCLEOTIDE-BINDING NUCLEOTIDYLTRANSFERASE NUCLEUS PHOSPHPROTEASE RIBONUCLEOPROTEIN RNA REPLICATION RNA-BINDING DIRECTED RNA POLYMERASE SECRETED SERINE PROTEASE TRANSMEVIRAL NUCLEOPROTEIN VIRION TRANSFERASE
Ref.: ANALYSIS OF FLAVIVIRUS NS5 METHYLTRANSFERASE CAP BI J.MOL.BIOL. V. 385 1643 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GTA A:902;
A:903;
Valid;
Valid;
none;
none;
submit data
787.441 C21 H30 N10 O17 P3 C[n+]...
SAH A:901;
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
3EVF 1.45 Å EC: 2.7.7.48 CRYSTAL STRUCTURE OF ME7-GPPPA COMPLEX OF YELLOW FEVER VIRUS METHYLTRANSFERASE AND S-ADENOSYL-L-HOMOCYSTEINE YELLOW FEVER VIRUS YELLOW FEVER VIRUS NS5 METHYLTRANSFERASE RNA CAP BINDING BINDING CAPSID PROTEIN CLEAVAGE ON PAIR OF BASIC RESIDUESENDOPLASMIC RETICULUM ENVELOPE PROTEIN GLYCOPROTEIN HELIHYDROLASE MEMBRANE METAL-BINDING MULTIFUNCTIONAL ENZYMENUCLEOTIDE-BINDING NUCLEOTIDYLTRANSFERASE NUCLEUS PHOSPHPROTEASE RIBONUCLEOPROTEIN RNA REPLICATION RNA-BINDING DIRECTED RNA POLYMERASE SECRETED SERINE PROTEASE TRANSMEVIRAL NUCLEOPROTEIN VIRION TRANSFERASE
Ref.: ANALYSIS OF FLAVIVIRUS NS5 METHYLTRANSFERASE CAP BI J.MOL.BIOL. V. 385 1643 2009
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 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....
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: 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 : 3EVF; Ligand: SAH; Similar sites found: 108
This union binding pocket(no: 1) in the query (biounit: 3evf.bio1) has 37 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4Q3F TLA 0.04987 0.40284 1.7094
2 1I9G SAM 0.00001504 0.4244 1.80505
3 1XDS SAM 0.0003705 0.49656 2.13904
4 1SQF SAM 0.00001388 0.54773 2.16606
5 3A25 SAM 0.002906 0.44053 2.16606
6 1JQD HSM 0.005978 0.40533 2.16606
7 1QAN SAH 0.00003696 0.41498 2.45902
8 2EG5 SAH 0.00002758 0.55202 2.52708
9 2YX1 SFG 0.000003158 0.40555 2.52708
10 4C4A SAH 0.0000504 0.40145 2.52708
11 5JE0 AZ8 0.0003448 0.41254 2.83401
12 5JE0 SAH 0.0003448 0.41254 2.83401
13 1G55 SAH 0.000003304 0.57023 2.88809
14 2O07 MTA 0.00281 0.41592 2.88809
15 5MW4 5JU 0.001403 0.41201 2.88809
16 2O07 SPD 0.004107 0.40432 2.88809
17 2CBZ ATP 0.04882 0.41373 2.95359
18 2W58 ADP 0.0434 0.4164 2.9703
19 1G60 SAM 0.00006253 0.40007 3.07692
20 1I1N SAH 0.00007467 0.42457 3.09735
21 3EGV SAH 0.001519 0.45763 3.14961
22 2NXE SAM 0.00141 0.45504 3.14961
23 3G89 SAM 0.0002348 0.5063 3.21285
24 4A6D SAM 0.0005476 0.46974 3.2491
25 4UCI SAM 0.000002641 0.43699 3.2491
26 4IEE AGS 0.03549 0.40916 3.2491
27 5MPT SAH 0.00004301 0.40429 3.2491
28 3EGI ADP 0.002134 0.47943 3.39806
29 5E8J SAH 0.00005851 0.53597 3.61011
30 4DMG SAM 0.0003348 0.50423 3.61011
31 3DMH SAM 0.0002256 0.48276 3.61011
32 3DMH GMP 0.0009578 0.43461 3.61011
33 1WG8 SAM 0.00002685 0.42573 3.61011
34 1Q0S SAH 0.00003731 0.42138 3.61011
35 5THY SAH 0.00002168 0.42023 3.61011
36 5THZ SAH 0.00006075 0.41664 3.61011
37 4BLW AMP 0.001193 0.4046 3.61011
38 5HJM MTA 0.00004065 0.52088 3.97112
39 3M6W SAM 0.0002495 0.49967 3.97112
40 3VYW SAM 0.0001762 0.48752 3.97112
41 1IM8 SAI 0.000057 0.5093 4.09836
42 3MB5 SAM 0.000006292 0.44431 4.31373
43 4X60 SFG 0.0004123 0.41442 4.33213
44 4X60 3XV 0.0004444 0.40971 4.33213
45 1RZ1 NAD 0.04783 0.40464 4.34783
46 2ZFI ADP 0.04255 0.40135 4.37158
47 2AWN ADP 0.02136 0.43956 4.69314
48 1J78 OLA 0.02361 0.42776 4.69314
49 1Z3C SA8 0.0005205 0.40369 4.69314
50 3A27 SAM 0.0002358 0.49093 4.77941
51 2VDV SAM 0.00002947 0.55061 4.87805
52 4NEC SAH 0.00006011 0.52941 4.92424
53 4N49 SAM 0.00000002747 0.49681 5.05415
54 5E72 SAM 0.00003301 0.41462 5.05415
55 4OBW SAM 0.001249 0.45748 5.05837
56 1L3I SAH 0.00003764 0.4299 5.20833
57 1C3V PDC 0.0174 0.42976 5.30612
58 3GXO SAH 0.003546 0.44418 5.41516
59 1N2X SAM 0.00001207 0.43183 5.41516
60 1Y8Q ATP 0.003133 0.42249 5.41516
61 3PT9 SAH 0.000005814 0.42186 5.41516
62 4BQS ADP 0.03677 0.41224 5.68182
63 3TLJ SAH 0.00002078 0.51879 5.77617
64 1UAY ADN 0.002136 0.45914 5.78512
65 3FZG SAM 0.01214 0.41838 6
66 1F3L SAH 0.0004664 0.46477 6.13718
67 1VE3 SAM 0.0008058 0.46628 6.1674
68 1WY7 SAH 0.00002517 0.41355 6.28019
69 5KOK SAH 0.00001557 0.41569 6.4982
70 3VC1 SAH 0.001126 0.41543 6.4982
71 3U31 NAD 0.008017 0.41085 6.4982
72 5KOK R9T 0.0007736 0.40798 6.4982
73 3VC1 GST 0.001007 0.40166 6.4982
74 1LVL NAD 0.01558 0.40092 6.4982
75 3LST SAH 0.0004522 0.49231 6.85921
76 4M73 M72 0.001654 0.40612 6.85921
77 4ONQ SFG 0.00001994 0.40227 6.85921
78 3OFK SAH 0.009792 0.41941 6.94444
79 3G2O SAM 0.00004841 0.52268 7.02341
80 5DXA SFG 0.0005182 0.459 7.22022
81 4YUW S4M 0.01914 0.40159 7.22022
82 4YUW 4JU 0.02027 0.40097 7.22022
83 5DX1 SFG 0.0002077 0.40093 7.22022
84 4JLS 3ZE 0.03817 0.41185 7.23684
85 3OU2 SAH 0.000329 0.46003 7.33945
86 3S1S SAH 0.0005588 0.4576 7.58123
87 2FK8 SAM 0.002606 0.43553 7.58123
88 1JG3 ADN 0.0009062 0.46392 7.65957
89 5DM1 SAH 0.002351 0.40183 7.86517
90 4QTU SAM 0.00001718 0.53781 8.14815
91 2JJQ SAH 0.00001166 0.5704 8.66426
92 5BQ5 ADP BEF 0.009459 0.4273 8.99471
93 3HVJ 705 0.001762 0.40515 9.50226
94 1KPG SAH 0.003294 0.42773 9.74729
95 4E70 N7I 0.004087 0.4044 10.1083
96 5XVQ SAH 0.002314 0.43116 10.8303
97 1GOJ ADP 0.04349 0.41721 11.5523
98 3GDH SAH 0.000000434 0.58474 11.6183
99 3DXY SAM 0.0008274 0.48447 12.3853
100 3A4T SFG 0.00001815 0.42353 12.9964
101 1R18 SAH 0.00002338 0.41851 14.0969
102 4FZV SAM 0.00000201 0.44176 14.6444
103 4CS9 AMP 0.006387 0.46502 15.3439
104 1DL5 SAH 0.00004251 0.42663 16.2455
105 2PWY SAH 0.000005756 0.44385 19.7674
106 4GQB 0XU 0.00005494 0.41549 22.7273
107 4M38 SAH 0.0002709 0.47922 23.8095
108 1EJ0 SAM 0.0000008597 0.44522 37.2222
Pocket No.: 2; Query (leader) PDB : 3EVF; Ligand: GTA; Similar sites found: 92
This union binding pocket(no: 2) in the query (biounit: 3evf.bio1) has 40 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4LPS GDP 0.02819 0.41 1.23967
2 1I9G SAM 0.00001878 0.4095 1.80505
3 1XDS SAM 0.0004399 0.49656 2.13904
4 1SQF SAM 0.0000172 0.54773 2.16606
5 3A25 SAM 0.003432 0.44046 2.16606
6 1JQD HSM 0.0066 0.40672 2.16606
7 1QAN SAH 0.00004591 0.40042 2.45902
8 2EG5 SAH 0.00003353 0.55202 2.52708
9 5JE0 AZ8 0.000364 0.40024 2.83401
10 5JE0 SAH 0.000364 0.40024 2.83401
11 1G55 SAH 0.000004169 0.57023 2.88809
12 2O07 SPD 0.002461 0.41626 2.88809
13 2O07 MTA 0.003595 0.4149 2.88809
14 2W58 ADP 0.04821 0.4164 2.9703
15 1I1N SAH 0.00009445 0.40905 3.09735
16 3EGV SAH 0.001622 0.45969 3.14961
17 2NXE SAM 0.001671 0.45504 3.14961
18 3G89 SAM 0.00028 0.5063 3.21285
19 4A6D SAM 0.0006571 0.46974 3.2491
20 4UCI SAM 0.00000334 0.42076 3.2491
21 4IEE AGS 0.03999 0.40916 3.2491
22 3EGI ADP 0.00246 0.47943 3.39806
23 5E8J SAH 0.00007065 0.53597 3.61011
24 4DMG SAM 0.0003964 0.50423 3.61011
25 3DMH SAM 0.0002741 0.48276 3.61011
26 3DMH GMP 0.001126 0.43528 3.61011
27 1WG8 SAM 0.00003074 0.41156 3.61011
28 1Q0S SAH 0.00004623 0.40626 3.61011
29 5THY SAH 0.00002696 0.4057 3.61011
30 5THZ SAH 0.00007537 0.40266 3.61011
31 5HJM MTA 0.00005005 0.52088 3.97112
32 3M6W SAM 0.0002749 0.5014 3.97112
33 3VYW SAM 0.0002146 0.48752 3.97112
34 1IM8 SAI 0.00007183 0.50885 4.09836
35 3MB5 SAM 0.000007992 0.42788 4.31373
36 4X60 SFG 0.0006805 0.41509 4.33213
37 4X60 3XV 0.0006077 0.41317 4.33213
38 2I7C AAT 0.004065 0.40078 4.33213
39 1ZMD NAI 0.01055 0.40076 4.33213
40 2ZFI ADP 0.04632 0.40217 4.37158
41 1J78 OLA 0.0262 0.42776 4.69314
42 2AWN ADP 0.04921 0.41832 4.69314
43 3A27 SAM 0.0002844 0.49092 4.77941
44 2VDV SAM 0.00003581 0.55061 4.87805
45 4NEC SAH 0.00007285 0.52941 4.92424
46 4N49 SAM 0.00000003653 0.47603 5.05415
47 4OBW SAM 0.001482 0.45748 5.05837
48 2CJW GDP 0.01969 0.42175 5.20833
49 1L3I SAH 0.00004582 0.41463 5.20833
50 1C3V PDC 0.01962 0.42976 5.30612
51 3GXO SAH 0.004138 0.44418 5.41516
52 1Y8Q ATP 0.003742 0.42249 5.41516
53 1N2X SAM 0.00001522 0.41598 5.41516
54 3PT9 SAH 0.000007264 0.40653 5.41516
55 4BQS ADP 0.006459 0.44702 5.68182
56 3TLJ SAH 0.00002851 0.51711 5.77617
57 1UAY ADN 0.002496 0.45914 5.78512
58 3FZG SAM 0.01444 0.4177 6
59 1F3L SAH 0.0005764 0.46437 6.13718
60 1VE3 SAM 0.0009601 0.46628 6.1674
61 3U31 NAD 0.008046 0.41388 6.4982
62 3VC1 SAH 0.001219 0.40753 6.4982
63 1LVL NAD 0.01579 0.40363 6.4982
64 3VC1 GST 0.001219 0.4031 6.4982
65 5KOK SAH 0.00001953 0.40033 6.4982
66 3LST SAH 0.0005359 0.49231 6.85921
67 3OFK SAH 0.01135 0.41941 6.94444
68 3G2O SAM 0.00005927 0.52268 7.02341
69 5DXA SFG 0.0006288 0.459 7.22022
70 4JLS 3ZE 0.04273 0.41185 7.23684
71 3OU2 SAH 0.000404 0.46003 7.33945
72 3S1S SAH 0.0006774 0.4576 7.58123
73 2FK8 SAM 0.003176 0.435 7.58123
74 1JG3 ADN 0.001078 0.46392 7.65957
75 4QTU SAM 0.00002134 0.53781 8.14815
76 2JJQ SAH 0.00001429 0.5704 8.66426
77 5BQ5 ADP BEF 0.01206 0.42511 8.99471
78 1KPG SAH 0.003908 0.42773 9.74729
79 4E70 N7I 0.00204 0.41945 10.1083
80 5XVQ SAH 0.002679 0.43175 10.8303
81 1GOJ ADP 0.04832 0.41721 11.5523
82 3GDH SAH 0.0000005696 0.58474 11.6183
83 3DXY SAM 0.0009717 0.48447 12.3853
84 3A4T SFG 0.00002149 0.40915 12.9964
85 1R18 SAH 0.00002984 0.40316 14.0969
86 4FZV SAM 0.000002561 0.42461 14.6444
87 4CS9 AMP 0.007162 0.46502 15.3439
88 1DL5 SAH 0.00005296 0.41087 16.2455
89 2PWY SAH 0.000007318 0.42735 19.7674
90 4GQB 0XU 0.0000685 0.40056 22.7273
91 4M38 SAH 0.0003132 0.48016 23.8095
92 1EJ0 SAM 0.000001094 0.42818 37.2222
Pocket No.: 3; Query (leader) PDB : 3EVF; Ligand: GTA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3evf.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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