Receptor
PDB id Resolution Class Description Source Keywords
5FWD 2 Å EC: 2.1.1.125 CRYSTAL STRUCTURE OF MUS MUSCULUS PROTEIN ARGININE METHYLTRA WITH CP2 MUS MUSCULUS TRANSFERASE S-ADENOSYL-L-METHIONINE
Ref.: STRUCTURAL STUDIES OF PROTEIN ARGININE METHYLTRANSF REVEAL ITS INTERACTIONS WITH POTENTIAL SUBSTRATES A INHIBITORS. FEBS J. V. 284 77 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:1451;
A:1450;
A:1448;
A:1453;
A:1449;
A:1452;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
GJV A:1446;
Valid;
none;
submit data
337.358 C13 H21 N8 O3 c1nc(...
CA A:1455;
A:1460;
Part of Protein;
Invalid;
none;
none;
submit data
40.078 Ca [Ca+2...
PG4 A:1447;
Invalid;
none;
submit data
194.226 C8 H18 O5 C(COC...
CL A:1454;
Invalid;
none;
submit data
35.453 Cl [Cl-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5FWA 1.8 Å EC: 2.1.1.125 CRYSTAL STRUCTURE OF MUS MUSCULUS PROTEIN ARGININE METHYLTRA WITH CP1 MUS MUSCULUS TRANSFERASE S-ADENOSYL-L-METHIONINE
Ref.: STRUCTURAL STUDIES OF PROTEIN ARGININE METHYLTRANSF REVEAL ITS INTERACTIONS WITH POTENTIAL SUBSTRATES A INHIBITORS. FEBS J. V. 284 77 2017
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 5FUL ic50 = 18.3 uM SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 5FWA ic50 = 16.3 uM J7C C12 H18 N8 O3 [H]/N=C(N)....
3 5FWD - GJV C13 H21 N8 O3 c1nc(c2c(n....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 5FUL ic50 = 18.3 uM SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 5FWA ic50 = 16.3 uM J7C C12 H18 N8 O3 [H]/N=C(N)....
3 5FWD - GJV C13 H21 N8 O3 c1nc(c2c(n....
50% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 5FUL ic50 = 18.3 uM SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 5FWA ic50 = 16.3 uM J7C C12 H18 N8 O3 [H]/N=C(N)....
3 5FWD - GJV C13 H21 N8 O3 c1nc(c2c(n....
4 4Y30 ic50 = 10 nM 49L C25 H38 N4 O3 CNCCN(C)Cc....
5 4Y2H ic50 = 0.011 uM 49K C13 H17 F N4 CN(CCN)Cc1....
6 5EGS ic50 = 0.3 uM 5NR C14 H22 N2 c1ccc(cc1)....
7 4RYL ic50 = 31 nM 3ZG C16 H18 N4 O2 c1cc2cnccc....
8 5FUB - SAH C14 H20 N6 O5 S c1nc(c2c(n....
9 5G02 - SFG C15 H23 N7 O5 c1nc(c2c(n....
10 6IZQ ic50 = 3.19 uM XJ2 C14 H22 N2 O CNC[C@H](C....
11 2Y1W - SFG C15 H23 N7 O5 c1nc(c2c(n....
12 5DXJ - SFG C15 H23 N7 O5 c1nc(c2c(n....
13 3B3F - SAH C14 H20 N6 O5 S c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GJV; Similar ligands found: 254
No: Ligand ECFP6 Tc MDL keys Tc
1 GJV 1 1
2 6RE 0.782609 0.985714
3 J7C 0.689189 0.971429
4 RAB 0.641791 0.819444
5 ADN 0.641791 0.819444
6 XYA 0.641791 0.819444
7 5N5 0.623188 0.84507
8 5CD 0.614286 0.805556
9 A4D 0.614286 0.819444
10 EP4 0.611111 0.776316
11 DTA 0.581081 0.763158
12 M2T 0.581081 0.75641
13 3DH 0.578947 0.773333
14 MTA 0.573333 0.773333
15 MHZ 0.566265 0.780488
16 A3N 0.5625 0.810811
17 DSH 0.55 0.864865
18 ZAS 0.544304 0.837838
19 AMP 0.544304 0.769231
20 LMS 0.544304 0.662921
21 A 0.544304 0.769231
22 SRA 0.5375 0.731707
23 S4M 0.536585 0.8125
24 AOC 0.530864 0.773333
25 MAO 0.53012 0.738095
26 ARG AMP 0.53 0.875
27 SA8 0.528736 0.794872
28 APC MG 0.528736 0.75
29 ABM 0.52439 0.728395
30 45A 0.52439 0.728395
31 A2D 0.52439 0.728395
32 5AS 0.52381 0.663043
33 SFG 0.523256 0.821918
34 5X8 0.523256 0.810811
35 SAH 0.522727 0.813333
36 5AD 0.521127 0.746479
37 SON 0.517647 0.743902
38 N5O 0.512195 0.835616
39 NEC 0.512195 0.77027
40 A3G 0.512195 0.849315
41 AP2 0.511905 0.743902
42 A12 0.511905 0.743902
43 BA3 0.511905 0.728395
44 AU1 0.511628 0.731707
45 CA0 0.511628 0.710843
46 ADX 0.511628 0.662921
47 0UM 0.510638 0.831169
48 B4P 0.505882 0.728395
49 AP5 0.505882 0.728395
50 ADP 0.505882 0.75
51 KG4 0.505747 0.710843
52 G5A 0.505618 0.7
53 SAI 0.505618 0.802632
54 AT4 0.5 0.722892
55 AN2 0.5 0.740741
56 ADP MG 0.5 0.769231
57 A3S 0.5 0.835616
58 A7D 0.5 0.824324
59 N5A 0.5 0.833333
60 S7M 0.5 0.775
61 K15 0.5 0.7875
62 EEM 0.494505 0.775
63 AAT 0.494505 0.842105
64 M33 0.494253 0.719512
65 Y3J 0.493333 0.726027
66 7D7 0.493151 0.743243
67 62X 0.489583 0.768293
68 8X1 0.489362 0.695652
69 A5A 0.48913 0.648352
70 HEJ 0.488636 0.75
71 A3T 0.488636 0.797297
72 H1Q 0.488636 0.759494
73 ACP 0.488636 0.753086
74 ATP 0.488636 0.75
75 50T 0.488636 0.740741
76 YLP 0.485714 0.755814
77 SSA 0.483871 0.681319
78 GAP 0.483516 0.775
79 ANP 0.483516 0.731707
80 SAM 0.483516 0.775
81 APR 0.483146 0.728395
82 AR6 0.483146 0.728395
83 PRX 0.483146 0.731707
84 5FA 0.483146 0.75
85 APC 0.483146 0.743902
86 AQP 0.483146 0.75
87 KAA 0.479592 0.714286
88 LSS 0.479167 0.648936
89 52H 0.478723 0.62766
90 54H 0.478723 0.634409
91 VMS 0.478723 0.634409
92 5AL 0.478261 0.719512
93 8LE 0.478261 0.694118
94 AD9 0.477778 0.731707
95 RBY 0.477778 0.722892
96 ADP PO3 0.477778 0.769231
97 AGS 0.477778 0.714286
98 ADV 0.477778 0.722892
99 A5D 0.477778 0.763158
100 ATP MG 0.477778 0.769231
101 SAP 0.477778 0.714286
102 3AM 0.47561 0.75641
103 JB6 0.474747 0.72619
104 53H 0.473684 0.62766
105 5CA 0.473684 0.681319
106 TSB 0.473684 0.641304
107 ALF ADP 0.473118 0.714286
108 ADP ALF 0.473118 0.714286
109 ATF 0.473118 0.722892
110 YLC 0.472222 0.77381
111 YLB 0.472222 0.755814
112 KB1 0.47 0.78481
113 9ZA 0.46875 0.705882
114 9ZD 0.46875 0.705882
115 8LH 0.468085 0.722892
116 SMM 0.468085 0.746988
117 SRP 0.468085 0.765432
118 3AD 0.467532 0.830986
119 T99 0.467391 0.722892
120 TAT 0.467391 0.722892
121 ACQ 0.467391 0.753086
122 KH3 0.466667 0.8
123 LAD 0.464646 0.792683
124 P5A 0.464646 0.706522
125 F2R 0.464286 0.841463
126 NSS 0.463918 0.681319
127 DSZ 0.463918 0.663043
128 PAJ 0.463918 0.689655
129 4AD 0.463918 0.756098
130 HQG 0.463158 0.740741
131 HZ2 0.462264 0.820513
132 SXZ 0.46 0.753086
133 TXA 0.46 0.702381
134 YLA 0.459459 0.755814
135 DLL 0.459184 0.719512
136 NVA LMS 0.459184 0.677419
137 AHX 0.459184 0.738095
138 DAL AMP 0.458333 0.740741
139 MAP 0.458333 0.714286
140 8LQ 0.458333 0.722892
141 XAH 0.456311 0.77381
142 AYB 0.455357 0.747126
143 A6D 0.454545 0.722892
144 LEU LMS 0.454545 0.659574
145 HY8 0.453704 0.820513
146 8QN 0.453608 0.719512
147 OOB 0.453608 0.719512
148 GEK 0.453608 0.805195
149 OZV 0.453608 0.728395
150 5SV 0.453608 0.717647
151 VO4 ADP 0.452632 0.740741
152 6YZ 0.452632 0.753086
153 ADP VO4 0.452632 0.740741
154 IOT 0.45045 0.831325
155 B5V 0.45 0.702381
156 WAQ 0.45 0.746988
157 GSU 0.45 0.681319
158 AMO 0.44898 0.743902
159 ADQ 0.44898 0.731707
160 A1R 0.44898 0.768293
161 OVE 0.447059 0.719512
162 2AM 0.445783 0.746835
163 PTJ 0.445545 0.697674
164 NB8 0.445545 0.717647
165 1ZZ 0.445545 0.693182
166 BIS 0.445545 0.746988
167 00A 0.444444 0.686047
168 A22 0.443299 0.740741
169 D3Y 0.443299 0.813333
170 A3P 0.443182 0.746835
171 B1U 0.442308 0.628866
172 MYR AMP 0.441176 0.712644
173 VRT 0.44086 0.815789
174 QQX 0.440476 0.674699
175 OAD 0.44 0.710843
176 9X8 0.44 0.694118
177 3UK 0.44 0.710843
178 ADP BMA 0.44 0.753086
179 2VA 0.43956 0.776316
180 25A 0.438776 0.75
181 S8M 0.438776 0.782051
182 9SN 0.436893 0.678161
183 PR8 0.435644 0.783133
184 ACK 0.435294 0.717949
185 A3R 0.434343 0.768293
186 CC5 0.434211 0.816901
187 7D5 0.433735 0.716049
188 B5M 0.432692 0.694118
189 8PZ 0.432692 0.663043
190 B5Y 0.432692 0.694118
191 3OD 0.431373 0.710843
192 9K8 0.431373 0.608247
193 FYA 0.431373 0.7625
194 ME8 0.431373 0.712644
195 OZP 0.431193 0.818182
196 7MD 0.429907 0.77381
197 YLY 0.428571 0.747126
198 YSA 0.428571 0.663043
199 TAD 0.425926 0.689655
200 SO8 0.425532 0.766234
201 2FA 0.425 0.789474
202 AMP DBH 0.424528 0.731707
203 WSA 0.423423 0.67033
204 LAQ 0.422018 0.693182
205 A A 0.421569 0.772152
206 J4G 0.421569 0.777778
207 3NZ 0.421569 0.782051
208 7C5 0.420561 0.818182
209 F0P 0.419643 0.818182
210 FA5 0.419048 0.743902
211 YAP 0.419048 0.73494
212 RP1 0.418605 0.686747
213 SP1 0.418605 0.686747
214 QQY 0.418605 0.682927
215 LPA AMP 0.418182 0.712644
216 N0B 0.418033 0.755814
217 BS5 0.417391 0.717391
218 4UU 0.416667 0.694118
219 PPS 0.416667 0.662921
220 NVA 2AD 0.414894 0.828947
221 PAP 0.414894 0.7375
222 25L 0.413462 0.740741
223 4YB 0.412844 0.666667
224 MTP 0.4125 0.708861
225 3D1 0.4125 0.797297
226 3L1 0.4125 0.797297
227 TYR AMP 0.411215 0.756098
228 4UV 0.411215 0.694118
229 2BA 0.411111 0.721519
230 A2P 0.411111 0.734177
231 CMP 0.411111 0.730769
232 OMR 0.410714 0.685393
233 649 0.410714 0.670213
234 N37 0.410714 0.779221
235 AHZ 0.409091 0.693182
236 G3A 0.407407 0.759036
237 6MD 0.407407 0.783784
238 26A 0.407407 0.74026
239 7MC 0.40708 0.755814
240 J1D 0.40678 0.701031
241 BT5 0.40678 0.727273
242 V3L 0.40625 0.75
243 ATP A A A 0.40566 0.759494
244 ATP A 0.40566 0.759494
245 2A5 0.404255 0.753086
246 AFH 0.40367 0.709302
247 G5P 0.40367 0.759036
248 AR6 AR6 0.40367 0.75
249 5F1 0.402439 0.756757
250 4UW 0.401786 0.670455
251 6V0 0.401786 0.697674
252 NAI 0.401786 0.686047
253 DQV 0.4 0.719512
254 7D3 0.4 0.698795
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5FWA; Ligand: J7C; Similar sites found with APoc: 4
This union binding pocket(no: 1) in the query (biounit: 5fwa.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 5DXA SFG 46.1318
2 5DXA SFG 46.1318
3 5DXA SFG 46.1318
4 5DXA SFG 46.1318
Pocket No.: 2; Query (leader) PDB : 5FWA; Ligand: J7C; 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: 5fwa.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback