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 (47)
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 5NJU - SAH C14 H20 N6 O5 S c1nc(c2c(n....
21 5ULP Kd = 24.3 uM KB1 C21 H26 F N7 O5 c1cc(ccc1C....
22 5MRK - SFG C15 H23 N7 O5 c1nc(c2c(n....
23 5NJV - SAM C15 H22 N6 O5 S C[S@@+](CC....
24 5WXB - SAH C14 H20 N6 O5 S c1nc(c2c(n....
25 5KQS - SAM C15 H22 N6 O5 S C[S@@+](CC....
26 3LKZ - SFG C15 H23 N7 O5 c1nc(c2c(n....
27 3EVG - SAH C14 H20 N6 O5 S c1nc(c2c(n....
28 2PX5 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
29 2PXA - SAH C14 H20 N6 O5 S c1nc(c2c(n....
30 2PX8 - MGT C11 H20 N5 O14 P3 CN1CN(C2=C....
31 2PX2 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
32 2PX4 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
33 5E9Q - SAM C15 H22 N6 O5 S C[S@@+](CC....
34 5EHG - 5O0 C20 H16 Cl N3 O6 S c1cc(cc(c1....
35 5EKX - 2CQ C7 H9 Cl N2 Cc1cc(c(cc....
36 4R8S - SFG C15 H23 N7 O5 c1nc(c2c(n....
37 4CTJ - 3A9 C9 H8 O3 c1cc2c(cc1....
38 4CTK - SAM C15 H22 N6 O5 S C[S@@+](CC....
39 5EC8 - 5LP C15 H14 Cl N3 O3 Cc1ccc(c(c....
40 5EIW - X0V C7 H7 F3 N2 c1cc(c(cc1....
41 3P8Z - SAH C14 H20 N6 O5 S c1nc(c2c(n....
42 5CUQ ic50 = 7.7 uM NSC C21 H20 N6 O Cc1cc(c2cc....
43 5EIF - 4M0 C8 H9 N O2 Cc1ccc(c(c....
44 5EHI - 5O3 C20 H17 Cl N4 O5 S c1cc(cc(c1....
45 3P97 - SAM C15 H22 N6 O5 S C[S@@+](CC....
46 3GCZ - SAM C15 H22 N6 O5 S C[S@@+](CC....
47 2WA2 - SAM C15 H22 N6 O5 S C[S@@+](CC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GTA; Similar ligands found: 312
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 B4P 0.695652 0.886076
7 AP5 0.695652 0.886076
8 G5P 0.691589 0.962025
9 GTG 0.688679 1
10 5FA 0.666667 0.886076
11 AQP 0.666667 0.886076
12 A2D 0.663043 0.886076
13 ATP 0.65625 0.886076
14 HEJ 0.65625 0.886076
15 G7M 0.652632 0.962025
16 AGS 0.642857 0.843373
17 SAP 0.642857 0.843373
18 M33 0.628866 0.898734
19 ADP 0.625 0.886076
20 A4P 0.62069 0.862069
21 AT4 0.618557 0.853659
22 AN2 0.618557 0.875
23 APR 0.616162 0.8625
24 AR6 0.616162 0.8625
25 ANP 0.613861 0.864198
26 AD9 0.61 0.864198
27 ACP 0.606061 0.864198
28 ACQ 0.598039 0.864198
29 6YZ 0.596154 0.864198
30 ADX 0.59596 0.784091
31 ATF 0.586538 0.853659
32 PRX 0.584158 0.819277
33 UP5 0.581197 0.865854
34 CA0 0.58 0.864198
35 AMP 0.578947 0.860759
36 A 0.578947 0.860759
37 ABM 0.57732 0.8625
38 45A 0.57732 0.8625
39 HQG 0.575472 0.875
40 50T 0.574257 0.851852
41 KG4 0.574257 0.864198
42 ADQ 0.574074 0.864198
43 A1R 0.574074 0.811765
44 A3R 0.574074 0.811765
45 T5A 0.570248 0.818182
46 A22 0.570093 0.898734
47 5SV 0.564815 0.781609
48 OAD 0.563636 0.8875
49 9X8 0.563636 0.843373
50 25L 0.5625 0.898734
51 8LE 0.561905 0.843373
52 5AL 0.561905 0.875
53 8LQ 0.555556 0.853659
54 3OD 0.553571 0.8875
55 T99 0.552381 0.853659
56 TAT 0.552381 0.853659
57 8LH 0.551402 0.853659
58 8QN 0.550459 0.875
59 AP2 0.55 0.853659
60 A12 0.55 0.853659
61 GDP 7MG 0.547009 0.974684
62 MAP 0.541284 0.843373
63 SRA 0.540816 0.819277
64 CNA 0.540323 0.9
65 BIS 0.539823 0.833333
66 1ZZ 0.539823 0.795455
67 ADP MG 0.539216 0.860759
68 APC 0.538462 0.853659
69 SRP 0.537037 0.831325
70 MG7 0.536842 0.8625
71 3UK 0.535714 0.8875
72 AU1 0.533981 0.864198
73 APC MG 0.533333 0.839506
74 4TC 0.532787 0.845238
75 4AD 0.531532 0.865854
76 PAJ 0.531532 0.835294
77 WAQ 0.530973 0.811765
78 PR8 0.530973 0.784091
79 GP3 0.528302 0.962025
80 AHX 0.526786 0.823529
81 00A 0.526786 0.833333
82 OMR 0.52459 0.806818
83 OOB 0.522523 0.875
84 OZV 0.522523 0.8625
85 25A 0.522523 0.886076
86 AFH 0.521008 0.813953
87 48N 0.520661 0.890244
88 139 0.52 0.825581
89 ATP MG 0.518868 0.860759
90 RBY 0.518868 0.831325
91 ADV 0.518868 0.831325
92 ADP PO3 0.518868 0.860759
93 AMO 0.517857 0.853659
94 B5V 0.517544 0.876543
95 LAD 0.517544 0.793103
96 4UV 0.516949 0.843373
97 DLL 0.513274 0.875
98 FYA 0.513043 0.829268
99 ME8 0.513043 0.816092
100 PTJ 0.513043 0.845238
101 NB8 0.513043 0.823529
102 TXA 0.513043 0.876543
103 B5Y 0.512821 0.888889
104 4UU 0.508333 0.843373
105 9SN 0.504274 0.845238
106 DQV 0.504132 0.898734
107 DND 0.504065 0.9
108 TXD 0.504065 0.855422
109 NXX 0.504065 0.9
110 4UW 0.504065 0.857143
111 ADP ALF 0.5 0.8
112 B5M 0.5 0.888889
113 DAL AMP 0.5 0.875
114 ALF ADP 0.5 0.8
115 TXE 0.5 0.855422
116 G A A A 0.496124 0.9375
117 AP0 0.496 0.845238
118 UPA 0.496 0.855422
119 GA7 0.495868 0.853659
120 XAH 0.495798 0.775281
121 9ZA 0.495575 0.878049
122 9ZD 0.495575 0.878049
123 VO4 ADP 0.495495 0.851852
124 GTP 0.495495 0.936709
125 ADP VO4 0.495495 0.851852
126 GAP 0.495413 0.841463
127 SON 0.495238 0.853659
128 6V0 0.491935 0.845238
129 NAX 0.491935 0.825581
130 NAI 0.491935 0.855422
131 7D4 0.490566 0.807229
132 ITT 0.490566 0.8375
133 F2R 0.488372 0.860465
134 FA5 0.487395 0.853659
135 YAP 0.487395 0.843373
136 GSP 0.486726 0.891566
137 JSQ 0.486239 0.843373
138 HFD 0.486239 0.843373
139 LMS 0.485149 0.744444
140 A G 0.484615 0.949367
141 COD 0.484615 0.771739
142 NAD 0.484615 0.898734
143 YLP 0.483871 0.777778
144 MYR AMP 0.483051 0.795455
145 U A G G 0.480916 0.949367
146 FDA 0.475524 0.831461
147 BTX 0.473282 0.777778
148 ADJ 0.472868 0.786517
149 YLC 0.472441 0.795455
150 YLB 0.472441 0.777778
151 6FA 0.472222 0.882353
152 5AS 0.471698 0.723404
153 ADP BMA 0.470085 0.864198
154 GDP 0.468468 0.936709
155 2A5 0.46789 0.819277
156 A3D 0.466165 0.911392
157 A A 0.466102 0.886076
158 SFD 0.465753 0.773196
159 FAS 0.465753 0.892857
160 FAD 0.465753 0.892857
161 A2R 0.464912 0.875
162 G1R 0.464912 0.925
163 GCP 0.464912 0.91358
164 TYM 0.464567 0.853659
165 GNH 0.464286 0.925
166 LAQ 0.464 0.775281
167 AHZ 0.464 0.816092
168 PAP 0.463636 0.873418
169 ATR 0.463636 0.860759
170 4TA 0.462121 0.806818
171 AOC 0.461538 0.731707
172 TSB 0.46087 0.777778
173 BT5 0.458647 0.769231
174 5N5 0.458333 0.728395
175 P5F 0.458065 0.885057
176 AYB 0.458015 0.769231
177 MGO 0.45614 0.879518
178 YLY 0.455882 0.769231
179 TYR AMP 0.455285 0.843373
180 80F 0.455224 0.797753
181 5CD 0.453608 0.716049
182 FNK 0.453333 0.804348
183 7D3 0.45283 0.807229
184 XYA 0.452632 0.75
185 RAB 0.452632 0.75
186 ADN 0.452632 0.75
187 NAE 0.452555 0.9125
188 VMS 0.452174 0.75
189 54H 0.452174 0.75
190 7C5 0.451613 0.8625
191 FB0 0.451389 0.765957
192 ATP A 0.45082 0.873418
193 ATP A A A 0.45082 0.873418
194 YLA 0.450382 0.758242
195 AJQ 0.450382 0.951219
196 FAY 0.450331 0.903614
197 JB6 0.45 0.811765
198 EAD 0.45 0.847059
199 NAQ 0.449275 0.890244
200 NVA LMS 0.449153 0.736842
201 9GM 0.448276 0.91358
202 GNP 0.448276 0.91358
203 A5A 0.447368 0.766667
204 RFL 0.447368 0.883721
205 GKE 0.447154 0.925926
206 GDC 0.447154 0.925926
207 GDD 0.447154 0.925926
208 ZID 0.446043 0.911392
209 LEU LMS 0.445378 0.736842
210 AMP DBH 0.443548 0.864198
211 SSA 0.443478 0.741935
212 Z5A 0.442857 0.8
213 IOT 0.442748 0.829545
214 3AT 0.442478 0.8625
215 G2R 0.441667 0.902439
216 MGQ 0.440678 0.95
217 NSS 0.440678 0.76087
218 EP4 0.44 0.714286
219 52H 0.439655 0.741935
220 A4D 0.438776 0.728395
221 PPS 0.438596 0.784091
222 6AD 0.438596 0.857143
223 P1H 0.4375 0.827586
224 ARU 0.436975 0.793103
225 3DH 0.436893 0.710843
226 AR6 AR6 0.436508 0.8625
227 ARG AMP 0.436508 0.848837
228 7MD 0.436508 0.795455
229 G 0.436364 0.924051
230 5GP 0.436364 0.924051
231 53H 0.435897 0.741935
232 8X1 0.435897 0.701031
233 N0B 0.435714 0.777778
234 M2T 0.435644 0.717647
235 Y9Z 0.435484 0.872093
236 A3P 0.435185 0.860759
237 F2N 0.433962 0.813187
238 G5A 0.433628 0.723404
239 NA7 0.433333 0.853659
240 GKD 0.433071 0.925926
241 TAD 0.433071 0.813953
242 3AM 0.432692 0.825
243 H1Q 0.432432 0.82716
244 AVV 0.432203 0.802326
245 GFB 0.432 0.95
246 GDR 0.432 0.95
247 NDC 0.431507 0.86747
248 MTA 0.431373 0.731707
249 GMV 0.431034 0.91358
250 AF3 ADP 3PG 0.430769 0.793103
251 U A 0.430657 0.878049
252 DTP 0.429825 0.807229
253 P5A 0.429752 0.693878
254 MGV 0.429752 0.904762
255 LSS 0.428571 0.726316
256 NDE 0.427586 0.924051
257 7MC 0.427481 0.797753
258 NO7 0.42735 0.831325
259 7D5 0.427184 0.783133
260 9K8 0.42623 0.71875
261 6MZ 0.425926 0.873418
262 LRM 0.424581 0.929412
263 M24 0.42446 0.825581
264 5CA 0.423729 0.741935
265 CAG 0.423358 0.917647
266 128 0.423077 0.777778
267 FA9 0.42236 0.860465
268 ODP 0.422222 0.925926
269 MAO 0.422018 0.722222
270 A2P 0.422018 0.848101
271 JB2 0.421875 0.95
272 DTA 0.421569 0.722892
273 NGD 0.421053 0.974684
274 NAJ PZO 0.42029 0.823529
275 APC G U 0.42029 0.901235
276 GPD 0.418605 0.915663
277 GP2 0.417391 0.902439
278 6CK 0.417323 0.903614
279 DSZ 0.416667 0.741935
280 IMO 0.416667 0.825
281 GAV 0.416667 0.902439
282 DZD 0.416058 0.835294
283 RGT 0.416 0.876543
284 YGP 0.416 0.892857
285 62F 0.415584 0.837209
286 TPG 0.415493 0.855556
287 LPA AMP 0.415385 0.775281
288 GPG 0.414634 0.95
289 JB3 0.413534 0.938272
290 S4M 0.412844 0.655914
291 G2P 0.411765 0.902439
292 NJP 0.411765 0.9125
293 6RE 0.411215 0.761905
294 MHZ 0.410714 0.666667
295 AV2 0.410256 0.817073
296 AMP NAD 0.408759 0.875
297 GDX 0.407692 0.9375
298 KAA 0.406504 0.701031
299 GSU 0.406504 0.723404
300 V3L 0.405172 0.8625
301 DDS 0.405172 0.783133
302 PUA 0.404255 0.835294
303 A3N 0.40367 0.702381
304 J7C 0.40367 0.75
305 7DT 0.403509 0.873418
306 ZAS 0.401869 0.72619
307 LQJ 0.401575 0.839506
308 YSA 0.401575 0.741935
309 9BG 0.40146 0.9375
310 SA8 0.4 0.693182
311 9JJ 0.4 0.858824
312 GGZ 0.4 0.741573
Ligand no: 2; Ligand: SAH; Similar ligands found: 231
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 DSH 0.692308 0.914286
6 SXZ 0.692308 0.916667
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 XYA 0.573333 0.84058
20 ADN 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 A 0.529412 0.763158
36 LMS 0.529412 0.694118
37 AMP 0.529412 0.763158
38 5CA 0.525773 0.712644
39 ME8 0.524752 0.8125
40 M2T 0.52439 0.821918
41 6RE 0.523256 0.824324
42 GJV 0.522727 0.813333
43 OZP 0.518519 0.915493
44 AAT 0.515789 0.863014
45 LSS 0.515152 0.696629
46 KAA 0.514852 0.727273
47 J7C 0.511364 0.835616
48 KG4 0.51087 0.769231
49 A5A 0.510417 0.697674
50 SON 0.505495 0.805195
51 SRP 0.505155 0.805195
52 F0P 0.504505 0.915493
53 ADX 0.5 0.694118
54 5AL 0.5 0.779221
55 54H 0.5 0.681818
56 VMS 0.5 0.681818
57 KH3 0.5 0.866667
58 HY8 0.5 0.890411
59 AMO 0.5 0.805195
60 CA0 0.5 0.769231
61 N37 0.495495 0.9
62 HZ2 0.495413 0.890411
63 AHX 0.49505 0.753086
64 NVA LMS 0.49505 0.707865
65 TSB 0.494949 0.689655
66 53H 0.494949 0.674157
67 G5A 0.494737 0.712644
68 ABM 0.494382 0.74359
69 A2D 0.494382 0.74359
70 45A 0.494382 0.74359
71 ZAS 0.494253 0.808219
72 A6D 0.490196 0.759494
73 GEK 0.49 0.956522
74 8QN 0.49 0.779221
75 GAP 0.489583 0.769231
76 A3S 0.48913 0.884058
77 AN2 0.48913 0.734177
78 S4M 0.488889 0.831169
79 SRA 0.488636 0.746835
80 LAD 0.485437 0.810127
81 52H 0.484848 0.674157
82 AP2 0.483516 0.759494
83 A12 0.483516 0.759494
84 BA3 0.483516 0.74359
85 NEC 0.483146 0.788732
86 AOC 0.483146 0.842857
87 Y3J 0.481481 0.768116
88 VRT 0.479167 0.861111
89 50T 0.478723 0.734177
90 5AS 0.478261 0.655556
91 ADP 0.478261 0.74359
92 AP5 0.478261 0.74359
93 B4P 0.478261 0.74359
94 A3N 0.477778 0.830986
95 YSA 0.476636 0.712644
96 XAH 0.476636 0.768293
97 8LH 0.474747 0.759494
98 0XU 0.473684 0.897059
99 AT4 0.473118 0.7375
100 ADP MG 0.473118 0.763158
101 J4G 0.471154 0.818182
102 WAQ 0.471154 0.807692
103 NSS 0.470588 0.712644
104 8LE 0.469388 0.75
105 5AD 0.468354 0.791045
106 M33 0.468085 0.734177
107 AU1 0.468085 0.725
108 MAO 0.467391 0.797468
109 NB8 0.466667 0.775
110 A3G 0.466667 0.871429
111 TXA 0.466667 0.759494
112 N5O 0.466667 0.857143
113 3AM 0.465909 0.727273
114 8X1 0.465347 0.707865
115 8LQ 0.465347 0.782051
116 DAL AMP 0.465347 0.779221
117 ACP 0.463158 0.746835
118 ATP 0.463158 0.74359
119 A3T 0.463158 0.842857
120 HEJ 0.463158 0.74359
121 7D7 0.4625 0.785714
122 LEU LMS 0.461538 0.688889
123 9ZD 0.460784 0.740741
124 9ZA 0.460784 0.740741
125 APR 0.458333 0.766234
126 AQP 0.458333 0.74359
127 APC 0.458333 0.759494
128 AR6 0.458333 0.766234
129 PRX 0.458333 0.746835
130 5FA 0.458333 0.74359
131 F2R 0.457627 0.75
132 IOT 0.456897 0.761905
133 N5A 0.456522 0.855072
134 4AD 0.456311 0.794872
135 PAJ 0.456311 0.722892
136 WSA 0.45614 0.72093
137 HQG 0.455446 0.75641
138 FA5 0.453704 0.805195
139 8PZ 0.453704 0.712644
140 YAP 0.453704 0.794872
141 NVA 2AD 0.453608 0.849315
142 ATP MG 0.453608 0.763158
143 AD9 0.453608 0.725
144 SAP 0.453608 0.728395
145 AGS 0.453608 0.728395
146 ADP PO3 0.453608 0.763158
147 APC MG 0.453608 0.766234
148 ADV 0.453608 0.782051
149 RBY 0.453608 0.782051
150 PTJ 0.45283 0.731707
151 MHZ 0.452632 0.797468
152 00A 0.451923 0.740741
153 A3P 0.451613 0.74026
154 YLP 0.451327 0.771084
155 7MD 0.45045 0.768293
156 ALF ADP 0.45 0.707317
157 ADP ALF 0.45 0.707317
158 2VA 0.447917 0.819444
159 H1Q 0.447917 0.753247
160 OOB 0.446602 0.779221
161 ANP 0.444444 0.725
162 ACQ 0.444444 0.746835
163 TAT 0.444444 0.7375
164 T99 0.444444 0.7375
165 P5A 0.443396 0.719101
166 7D5 0.443182 0.708861
167 A1R 0.442308 0.7625
168 YLC 0.439655 0.790123
169 2AM 0.438202 0.717949
170 DLL 0.438095 0.779221
171 ARG AMP 0.4375 0.759036
172 A22 0.436893 0.734177
173 D3Y 0.436893 0.859155
174 ATF 0.435644 0.716049
175 MYR AMP 0.435185 0.746988
176 80F 0.434426 0.75
177 SO8 0.434343 0.808219
178 3UK 0.433962 0.769231
179 OAD 0.433962 0.769231
180 TAD 0.433628 0.765432
181 25A 0.432692 0.74359
182 ADP VO4 0.431373 0.734177
183 VO4 ADP 0.431373 0.734177
184 6YZ 0.431373 0.746835
185 9SN 0.431193 0.731707
186 TYM 0.431034 0.805195
187 PR8 0.429907 0.8
188 B5V 0.429907 0.759494
189 ADQ 0.428571 0.746835
190 YLB 0.42735 0.771084
191 FYA 0.425926 0.779221
192 9K8 0.425926 0.67033
193 1ZZ 0.425926 0.746988
194 3OD 0.425926 0.769231
195 PPS 0.425743 0.674419
196 B1U 0.423423 0.638298
197 MAP 0.423077 0.707317
198 4YB 0.421053 0.735632
199 A2P 0.421053 0.727273
200 ADP BMA 0.420561 0.746835
201 9X8 0.420561 0.75
202 TYR AMP 0.419643 0.794872
203 5SV 0.419048 0.731707
204 OZV 0.419048 0.74359
205 3NZ 0.416667 0.824324
206 YLA 0.416667 0.771084
207 8Q2 0.415254 0.688889
208 A3R 0.415094 0.7625
209 B5M 0.414414 0.75
210 B5Y 0.414414 0.75
211 LPA AMP 0.413793 0.768293
212 48N 0.413793 0.753086
213 AYB 0.413223 0.761905
214 ACK 0.413043 0.710526
215 QQY 0.413043 0.696203
216 BIS 0.412844 0.719512
217 JB6 0.412844 0.7625
218 PAP 0.41 0.730769
219 DQV 0.408696 0.75641
220 OVE 0.408602 0.7125
221 AMP DBH 0.40708 0.746835
222 4UV 0.40708 0.75
223 3AD 0.406977 0.852941
224 OMR 0.40678 0.738095
225 AF3 ADP 3PG 0.40678 0.743902
226 LAQ 0.405172 0.768293
227 A A 0.40367 0.74359
228 7C5 0.403509 0.789474
229 7MC 0.403361 0.75
230 KOY 0.401709 0.847222
231 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 with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3evf.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3EVF; Ligand: GTA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3evf.bio1) has 40 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3EVF; Ligand: GTA; Similar sites found with APoc: 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 Sequence Similarity
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