Receptor
PDB id Resolution Class Description Source Keywords
5G02 2.45 Å EC: 2.1.1.125 CRYSTAL STRUCTURE OF ZEBRAFISH PROTEIN ARGININE METHYLTRANSF WITH SFG DANIO RERIO TRANSFERASE S-ADENOSYL-L-METHIONINE S-ADENOSYL-L- HOMOCYST
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:1410;
A:1409;
Invalid;
Invalid;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
MES A:414;
A:415;
Invalid;
Invalid;
none;
none;
submit data
195.237 C6 H13 N O4 S C1COC...
SFG A:410;
Valid;
none;
submit data
381.387 C15 H23 N7 O5 c1nc(...
LI A:1411;
Part of Protein;
none;
submit data
6.941 Li [Li+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5FUB 2 Å EC: 2.1.1.125 CRYSTAL STRUCTURE OF ZEBRAFISH PROTEIN ARGININE METHYLTRANSF CATALYTIC DOMAIN WITH SAH DANIO RERIO TRANSFERASE S-ADENOSYL-L-CYSTEINE S-ADENOSYL-L-HOMOCYSTEIN
Ref.: STRUCTURAL STUDIES OF PROTEIN ARGININE METHYLTRANSF REVEAL ITS INTERACTIONS WITH POTENTIAL SUBSTRATES A INHIBITORS. FEBS J. V. 284 77 2017
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 5FUB - SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 5G02 - SFG C15 H23 N7 O5 c1nc(c2c(n....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 5FUB - SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 5G02 - SFG C15 H23 N7 O5 c1nc(c2c(n....
50% Homology Family (7)
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 5FUB - SAH C14 H20 N6 O5 S c1nc(c2c(n....
7 5G02 - SFG C15 H23 N7 O5 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; 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 : 5FUB; Ligand: SAH; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5fub.bio1) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Feedback