Receptor
PDB id Resolution Class Description Source Keywords
3GYQ 2.45 Å EC: 2.1.1.66 STRUCTURE OF THE THIOSTREPTON-RESISTANCE METHYLTRANSFERASE S-ADENOSYL-L-METHIONINE COMPLEX STREPTOMYCES CYANEUS RRNA METHYLTRANSFERASE SPOUT MTASES SAM TREFOIL KNOT ANTIBIOTIC RESISTANCE METHYLTRANSFERASE S-ADENOSYL-L- METHIONINE TRANSFERASE
Ref.: STRUCTURE OF THE THIOSTREPTON-RESISTANCE METHYLTRANSFERASE-S-ADENOSYL-L-METHIONINE COMPLEX AND ITS INTERACTION WITH RIBOSOMAL RNA J.BIOL.CHEM. V. 284 17013 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SAM A:270;
B:270;
Valid;
Valid;
none;
none;
submit data
398.437 C15 H22 N6 O5 S C[S@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3GYQ 2.45 Å EC: 2.1.1.66 STRUCTURE OF THE THIOSTREPTON-RESISTANCE METHYLTRANSFERASE S-ADENOSYL-L-METHIONINE COMPLEX STREPTOMYCES CYANEUS RRNA METHYLTRANSFERASE SPOUT MTASES SAM TREFOIL KNOT ANTIBIOTIC RESISTANCE METHYLTRANSFERASE S-ADENOSYL-L- METHIONINE TRANSFERASE
Ref.: STRUCTURE OF THE THIOSTREPTON-RESISTANCE METHYLTRANSFERASE-S-ADENOSYL-L-METHIONINE COMPLEX AND ITS INTERACTION WITH RIBOSOMAL RNA J.BIOL.CHEM. V. 284 17013 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3GYQ - SAM C15 H22 N6 O5 S C[S@@+](CC....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3GYQ - SAM C15 H22 N6 O5 S C[S@@+](CC....
2 3NK7 - SAM C15 H22 N6 O5 S C[S@@+](CC....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3GYQ - SAM C15 H22 N6 O5 S C[S@@+](CC....
2 3NK7 - SAM C15 H22 N6 O5 S C[S@@+](CC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SAM; Similar ligands found: 192
No: Ligand ECFP6 Tc MDL keys Tc
1 SAM 1 1
2 SMM 0.792683 0.96
3 S4M 0.6875 0.909091
4 S7M 0.670455 0.945946
5 M2T 0.636364 0.878378
6 GEK 0.612903 0.931507
7 SAI 0.571429 0.878378
8 XYA 0.565789 0.773333
9 ADN 0.565789 0.773333
10 RAB 0.565789 0.773333
11 5CD 0.564103 0.783784
12 EP4 0.5625 0.826667
13 SA8 0.56044 0.945205
14 SFG 0.555556 0.875
15 5X8 0.555556 0.888889
16 5N5 0.551282 0.773333
17 A4D 0.544304 0.797297
18 EEM 0.542553 0.945946
19 SAH 0.537634 0.916667
20 DTA 0.536585 0.789474
21 62X 0.535354 0.884615
22 MTA 0.53012 0.875
23 3DH 0.517647 0.849315
24 AMP MG 0.511364 0.710843
25 5AL 0.510417 0.743902
26 VMS 0.510204 0.673913
27 54H 0.510204 0.673913
28 0UM 0.51 0.857143
29 A 0.505747 0.707317
30 AMP 0.505747 0.707317
31 ABM 0.505618 0.753086
32 A5A 0.505155 0.688889
33 DAL AMP 0.50505 0.765432
34 NVA LMS 0.504951 0.725275
35 K15 0.5 0.883117
36 6RE 0.5 0.78481
37 5AD 0.5 0.75
38 SSA 0.5 0.684783
39 SON 0.5 0.746988
40 SRP 0.5 0.746988
41 LSS 0.49505 0.706522
42 CA0 0.494624 0.714286
43 A12 0.494505 0.705882
44 AP2 0.494505 0.705882
45 ME8 0.490385 0.841463
46 5CA 0.49 0.684783
47 TSB 0.49 0.681319
48 53H 0.49 0.666667
49 ACP 0.489362 0.694118
50 5AS 0.48913 0.648936
51 ADP 0.48913 0.690476
52 A2D 0.488889 0.690476
53 J7C 0.488889 0.772152
54 ZAS 0.488636 0.769231
55 8QN 0.485149 0.743902
56 GAP 0.484536 0.73494
57 AN2 0.483871 0.682353
58 A3S 0.483871 0.813333
59 A7D 0.483871 0.851351
60 GJV 0.483516 0.775
61 SRA 0.483146 0.694118
62 LAD 0.480769 0.752941
63 KAA 0.480769 0.698925
64 GSU 0.480769 0.722222
65 AMO 0.480392 0.746988
66 DSZ 0.480392 0.703297
67 52H 0.48 0.666667
68 ADP MG 0.478723 0.702381
69 M33 0.478723 0.722892
70 MAO 0.478261 0.82716
71 BA3 0.478261 0.690476
72 AOC 0.477778 0.776316
73 DSH 0.477778 0.842105
74 NEC 0.477778 0.75
75 SXZ 0.47619 0.894737
76 AHX 0.475728 0.701149
77 Y3J 0.47561 0.706667
78 G5A 0.474227 0.684783
79 A3T 0.473684 0.8
80 ADP BEF 0.473684 0.686047
81 BEF ADP 0.473684 0.686047
82 B4P 0.473118 0.690476
83 AP5 0.473118 0.690476
84 A3N 0.472527 0.766234
85 KB1 0.471698 0.833333
86 LEU LMS 0.471154 0.706522
87 APC 0.46875 0.705882
88 PRX 0.46875 0.73494
89 PAJ 0.466019 0.712644
90 4AD 0.466019 0.759036
91 RBY 0.463918 0.72619
92 ADP PO3 0.463918 0.728395
93 ADV 0.463918 0.72619
94 ADX 0.463158 0.666667
95 MHZ 0.463158 0.82716
96 AU1 0.463158 0.674419
97 YAP 0.462963 0.738095
98 TXA 0.462264 0.72619
99 NB8 0.462264 0.72093
100 A3G 0.461538 0.802632
101 VRT 0.459184 0.842105
102 ATP MG 0.459184 0.702381
103 YSA 0.458716 0.684783
104 XAH 0.458716 0.715909
105 50T 0.458333 0.682353
106 ATP 0.458333 0.690476
107 7D7 0.45679 0.723684
108 ANP MG 0.455446 0.678161
109 KH3 0.455357 0.871795
110 ACQ 0.454545 0.694118
111 AQP 0.453608 0.690476
112 5FA 0.453608 0.690476
113 AR6 0.453608 0.710843
114 APR 0.453608 0.710843
115 NSS 0.451923 0.703297
116 FA5 0.449541 0.746988
117 AGS 0.44898 0.678161
118 SAP 0.44898 0.678161
119 A5D 0.44898 0.789474
120 AD9 0.44898 0.674419
121 PTJ 0.448598 0.72093
122 YLB 0.448276 0.758621
123 YLP 0.447368 0.738636
124 D3Y 0.446602 0.792208
125 ADP ALF 0.445545 0.678161
126 ALF ADP 0.445545 0.678161
127 TYR AMP 0.445455 0.746988
128 MYR AMP 0.444444 0.776471
129 3AM 0.444444 0.674699
130 OAD 0.443396 0.73494
131 2VA 0.443299 0.779221
132 OOB 0.442308 0.722892
133 S8M 0.442308 0.831169
134 ADP VO4 0.441176 0.702381
135 VO4 ADP 0.441176 0.702381
136 ANP 0.44 0.674419
137 TAT 0.44 0.686047
138 WAQ 0.439252 0.75
139 ARG AMP 0.438596 0.727273
140 YLC 0.435897 0.755814
141 AAT 0.435644 0.797468
142 3OD 0.435185 0.73494
143 1ZZ 0.435185 0.755814
144 NVA 2AD 0.434343 0.815789
145 DLL 0.433962 0.722892
146 00A 0.433962 0.689655
147 7MD 0.433628 0.715909
148 ATF 0.431373 0.666667
149 SO8 0.43 0.792208
150 3UK 0.429907 0.714286
151 A6D 0.429907 0.72619
152 5SV 0.428571 0.741176
153 AMP DBH 0.428571 0.714286
154 WSA 0.42735 0.692308
155 TYM 0.42735 0.746988
156 9SN 0.427273 0.681818
157 AHZ 0.426087 0.755814
158 A A 0.425926 0.710843
159 3NZ 0.425926 0.807692
160 P5A 0.425926 0.691489
161 PR8 0.425926 0.744186
162 A1R 0.424528 0.709302
163 2A5 0.424242 0.674419
164 7MC 0.423729 0.719101
165 7D5 0.422222 0.658824
166 FYA 0.422018 0.722892
167 JB6 0.422018 0.709302
168 AYB 0.421488 0.75
169 PLP AAD 0.419355 0.764045
170 A22 0.419048 0.682353
171 MAP 0.419048 0.659091
172 2AM 0.417582 0.666667
173 TAD 0.417391 0.712644
174 A3P 0.416667 0.686747
175 ADP BMA 0.416667 0.714286
176 25A 0.415094 0.690476
177 YLA 0.413223 0.719101
178 ADQ 0.411215 0.694118
179 48N 0.410256 0.72093
180 0XU 0.41 0.824324
181 NAD IBO 0.406504 0.717647
182 7D3 0.40625 0.643678
183 PAP 0.405941 0.678571
184 OVE 0.404255 0.662791
185 4UV 0.403509 0.697674
186 ALF ADP 3PG 0.403361 0.712644
187 AF3 ADP 3PG 0.403361 0.712644
188 LA8 ALF 3PG 0.403361 0.712644
189 3AD 0.402299 0.783784
190 CMP 0.402062 0.691358
191 2BA 0.402062 0.682927
192 7C5 0.4 0.731707
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3GYQ; Ligand: SAM; 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: 3gyq.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3GYQ; Ligand: SAM; Similar sites found: 55
This union binding pocket(no: 2) in the query (biounit: 3gyq.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3BBD SAH 0.00002033 0.50206 None
2 5APG EEM 0.0001008 0.48387 1.62162
3 4JWH SAH 0.000007822 0.53909 1.83824
4 4JWF SAH 0.00002551 0.5143 2.30415
5 5H5F SAM 0.000002688 0.5149 2.5641
6 1FL2 FAD 0.01328 0.41392 2.57353
7 1JGT APC 0.00824 0.41382 2.57353
8 1JGT CMA 0.008236 0.41257 2.57353
9 3O7B SAH 0.000000664 0.57286 2.86885
10 1P9P SAH 0.00004449 0.50154 3.06513
11 5TWJ SAM 0.00000021 0.60315 3.08642
12 1Q9I TEO 0.04232 0.40115 3.30882
13 1EFV AMP 0.02465 0.41274 3.52941
14 1EFV FAD 0.02465 0.41274 3.52941
15 1YQC GLV 0.02922 0.4067 3.52941
16 4MCC 21X 0.0001763 0.48122 3.65854
17 5A7Y SAH 0.00004549 0.45602 3.67647
18 5HSA FAS 0.02026 0.40616 3.67647
19 3BBH SFG 0.000001625 0.56306 3.90244
20 5G3U ITW 0.02163 0.40739 4.04412
21 2WTX VDO 0.0217 0.40002 4.04412
22 2WTX UDP 0.02063 0.40002 4.04412
23 3RK1 ATP 0.001867 0.40478 4.21941
24 3GDN FAD 0.01903 0.40834 4.41176
25 3GDN HBX 0.02578 0.40834 4.41176
26 2OQ2 A3P 0.002505 0.42323 4.5977
27 3DCM SAM 0.0000003735 0.58659 4.6875
28 1T57 FMN 0.005649 0.40959 4.85437
29 4L2I NAD 0.007722 0.42869 5.32319
30 4L2I FAD 0.005959 0.42499 5.32319
31 4Q3F TLA 0.008803 0.41116 5.98291
32 4HA6 FAD 0.0117 0.41924 6.98529
33 4YUW S4M 0.04745 0.41619 7.35294
34 4YUW 4JU 0.04824 0.41619 7.35294
35 2RCU BUJ 0.03042 0.40555 7.35294
36 3G6K FAD 0.004479 0.42712 7.72059
37 3G6K POP 0.003929 0.42712 7.72059
38 1O97 FAD 0.02606 0.41089 7.72059
39 1O97 AMP 0.02606 0.41089 7.72059
40 4JWJ SAH 0.00002336 0.51598 8.41584
41 1Q19 APC 0.002406 0.42399 8.45588
42 3AIA SAM 0.00000004889 0.60045 8.53081
43 3OII SAH 0.00001153 0.52227 9.48617
44 1S4P GDP 0.008457 0.41121 9.55882
45 4CNG SAH 0.00000008462 0.63093 9.80392
46 1MJH ATP 0.002424 0.42385 9.87654
47 5AHW CMP 0.002478 0.41439 10.8844
48 1O94 AMP 0.003397 0.41366 11.7647
49 2YY8 MTA 0.000001123 0.59351 14.9254
50 2YY8 SAM 0.000003818 0.52945 14.9254
51 3HGM ATP 0.00186 0.42885 15.6463
52 4CNE SAH 0.00000003295 0.62883 24.3446
53 1V2X SAM 0.0000001566 0.60289 36.0825
54 4JAL SAH 0.00000002892 0.63126 41.3174
55 1MXI SAH 0.0000003572 0.58441 42.5
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