Receptor
PDB id Resolution Class Description Source Keywords
2YY8 2.48 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF ARCHAEAL TRNA-METHYLASE FOR POSITION 56 (ATRM56) FROM PYROCOCCUS HORIKOSHII, COMPLEXED WITH S- A DENOSYL-L-METHIONINE PYROCOCCUS HORIKOSHII DEEP TREFOIL KNOT STRUCTURAL GENOMICS NPPSFA NATIONAL PROJECT ON PROTEIN STRUCTURAL AND FUNCTIONAL ANALYSES RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE RSGI TRANSFERASE
Ref.: CRYSTAL STRUCTURE AND MUTATIONAL STUDY OF A UNIQUE SPOU FAMILY ARCHAEAL METHYLASE THAT FORMS 2'-O-METHYLCYTIDINE AT POSITION 56 OF TRNA J.MOL.BIOL. V. 375 1064 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MTA A:400;
Valid;
none;
submit data
297.334 C11 H15 N5 O3 S CSC[C...
SAM B:500;
Valid;
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
2YY8 2.48 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF ARCHAEAL TRNA-METHYLASE FOR POSITION 56 (ATRM56) FROM PYROCOCCUS HORIKOSHII, COMPLEXED WITH S- A DENOSYL-L-METHIONINE PYROCOCCUS HORIKOSHII DEEP TREFOIL KNOT STRUCTURAL GENOMICS NPPSFA NATIONAL PROJECT ON PROTEIN STRUCTURAL AND FUNCTIONAL ANALYSES RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE RSGI TRANSFERASE
Ref.: CRYSTAL STRUCTURE AND MUTATIONAL STUDY OF A UNIQUE SPOU FAMILY ARCHAEAL METHYLASE THAT FORMS 2'-O-METHYLCYTIDINE AT POSITION 56 OF TRNA J.MOL.BIOL. V. 375 1064 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 2YY8 - SAM C15 H22 N6 O5 S C[S@@+](CC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 2YY8 - SAM C15 H22 N6 O5 S C[S@@+](CC....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 2YY8 - SAM C15 H22 N6 O5 S C[S@@+](CC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MTA; Similar ligands found: 267
No: Ligand ECFP6 Tc MDL keys Tc
1 MTA 1 1
2 DTA 0.786885 0.867647
3 3DH 0.777778 0.938462
4 ADN 0.758621 0.878788
5 RAB 0.758621 0.878788
6 XYA 0.758621 0.878788
7 DSH 0.705882 0.84507
8 5N5 0.704918 0.878788
9 A4D 0.693548 0.907692
10 5CD 0.693548 0.892308
11 EP4 0.6875 0.939394
12 M2T 0.676923 0.940298
13 A7D 0.657534 0.882353
14 5X8 0.64 0.895522
15 5AD 0.639344 0.857143
16 AMP 0.628571 0.794521
17 A 0.628571 0.794521
18 ZAS 0.628571 0.816901
19 LMS 0.628571 0.719512
20 A5D 0.623377 0.867647
21 SAH 0.615385 0.869565
22 ABM 0.60274 0.821918
23 J7C 0.60274 0.794521
24 AAT 0.6 0.797297
25 6RE 0.597222 0.783784
26 SRA 0.597222 0.776316
27 S4M 0.594595 0.84
28 AOC 0.589041 0.880597
29 MAO 0.586667 0.805195
30 S8M 0.583333 0.833333
31 A2D 0.581081 0.773333
32 A3N 0.581081 0.867647
33 5AS 0.578947 0.697674
34 GJV 0.573333 0.773333
35 A12 0.565789 0.74359
36 AP2 0.565789 0.74359
37 BA3 0.565789 0.773333
38 AU1 0.564103 0.753247
39 ADX 0.564103 0.719512
40 M33 0.564103 0.810811
41 MHZ 0.564103 0.805195
42 B4P 0.558442 0.773333
43 AP5 0.558442 0.773333
44 ADP 0.558442 0.773333
45 7D7 0.553846 0.794118
46 Y3J 0.552239 0.80303
47 AN2 0.551282 0.763158
48 AT4 0.551282 0.766234
49 SON 0.551282 0.74359
50 SXZ 0.550562 0.849315
51 PRX 0.55 0.8
52 A6D 0.545455 0.766234
53 CA0 0.544304 0.753247
54 AD9 0.54321 0.753247
55 SA8 0.54321 0.873239
56 EEM 0.542169 0.849315
57 ACP 0.5375 0.753247
58 SFG 0.5375 0.826087
59 50T 0.5375 0.763158
60 HEJ 0.5375 0.773333
61 ATP 0.5375 0.773333
62 5FA 0.530864 0.773333
63 AQP 0.530864 0.773333
64 APC 0.530864 0.74359
65 APR 0.530864 0.773333
66 AR6 0.530864 0.773333
67 ANP 0.53012 0.753247
68 SAM 0.53012 0.875
69 SMM 0.529412 0.84
70 3AM 0.527027 0.756757
71 NEC 0.526316 0.823529
72 RBY 0.52439 0.74359
73 AGS 0.52439 0.75641
74 SAP 0.52439 0.75641
75 ADP PO3 0.52439 0.794521
76 ADV 0.52439 0.74359
77 5AL 0.52381 0.786667
78 54H 0.523256 0.705882
79 VMS 0.523256 0.705882
80 3AD 0.521739 0.863636
81 MTH 0.520548 0.984127
82 G5A 0.518072 0.678161
83 SAI 0.518072 0.830986
84 A5A 0.517647 0.722892
85 ME8 0.516484 0.797468
86 GAP 0.511905 0.753247
87 ACQ 0.511905 0.753247
88 T99 0.511905 0.766234
89 TAT 0.511905 0.766234
90 S7M 0.511628 0.824324
91 8QN 0.511364 0.786667
92 9ZD 0.511364 0.769231
93 9ZA 0.511364 0.769231
94 CC5 0.507463 0.876923
95 A3G 0.506494 0.828571
96 A3P 0.506329 0.77027
97 52H 0.505747 0.697674
98 NVA LMS 0.5 0.693182
99 7D5 0.5 0.714286
100 8X1 0.5 0.655556
101 53H 0.5 0.697674
102 ALF ADP 0.5 0.734177
103 ATF 0.5 0.74359
104 TSB 0.5 0.714286
105 MTP 0.5 0.828571
106 MAP 0.5 0.734177
107 ADP ALF 0.5 0.734177
108 DAL AMP 0.5 0.786667
109 25A 0.494382 0.773333
110 5SV 0.494382 0.759494
111 VO4 ADP 0.494253 0.763158
112 6YZ 0.494253 0.753247
113 ADP VO4 0.494253 0.763158
114 SRP 0.494253 0.74359
115 SSA 0.494253 0.678161
116 2AM 0.493333 0.746667
117 26A 0.492958 0.867647
118 PAJ 0.488889 0.75
119 LSS 0.488889 0.701149
120 A1R 0.488889 0.725
121 DSZ 0.488889 0.678161
122 ADQ 0.488889 0.753247
123 0UM 0.488889 0.810811
124 A3R 0.488889 0.725
125 3OD 0.483871 0.776316
126 AHX 0.483516 0.716049
127 62X 0.483516 0.815789
128 5CA 0.483146 0.678161
129 A22 0.483146 0.763158
130 A3T 0.481928 0.880597
131 2VA 0.481928 0.855072
132 RP1 0.480519 0.75
133 SP1 0.480519 0.75
134 3L1 0.478873 0.8
135 3D1 0.478873 0.8
136 OAD 0.478261 0.776316
137 LEU LMS 0.478261 0.693182
138 9X8 0.478261 0.779221
139 K15 0.478261 0.813333
140 OOB 0.477778 0.763158
141 GEK 0.477778 0.833333
142 A3S 0.47561 0.84058
143 OVE 0.474359 0.74026
144 P5A 0.473118 0.648352
145 PR8 0.473118 0.698795
146 NSS 0.472527 0.678161
147 4AD 0.472527 0.734177
148 AMO 0.472527 0.74359
149 2FA 0.472222 0.816901
150 6MD 0.472222 0.893939
151 NOC 0.471429 0.791045
152 NVA 2AD 0.470588 0.833333
153 A2P 0.469136 0.756757
154 2BA 0.469136 0.767123
155 CMP 0.469136 0.777778
156 9K8 0.468085 0.674157
157 PTJ 0.468085 0.759494
158 TXA 0.468085 0.766234
159 1ZZ 0.468085 0.731707
160 QQX 0.467532 0.714286
161 DLL 0.467391 0.763158
162 00A 0.467391 0.725
163 5F1 0.465753 0.782609
164 MYR AMP 0.463158 0.731707
165 3UK 0.462366 0.753247
166 ADP BMA 0.462366 0.753247
167 QQY 0.461538 0.723684
168 ACK 0.461538 0.739726
169 WAQ 0.457447 0.725
170 LAD 0.457447 0.707317
171 A A 0.457447 0.773333
172 B5V 0.457447 0.74359
173 GSU 0.457447 0.678161
174 KAA 0.457447 0.655556
175 PPS 0.454545 0.698795
176 B5Y 0.453608 0.75641
177 B5M 0.453608 0.75641
178 PAP 0.453488 0.76
179 BIS 0.452632 0.725
180 JB6 0.452632 0.746835
181 NB8 0.452632 0.716049
182 FYA 0.452632 0.763158
183 1DA 0.452055 0.878788
184 XAH 0.44898 0.690476
185 SO8 0.448276 0.869565
186 VRT 0.448276 0.84507
187 25L 0.447917 0.763158
188 KB1 0.447917 0.786667
189 4UV 0.444444 0.734177
190 9SN 0.443299 0.716049
191 V3L 0.443182 0.773333
192 LAQ 0.441176 0.710843
193 7D3 0.439024 0.696203
194 FA5 0.438776 0.74359
195 YAP 0.438776 0.734177
196 ATP A A A 0.438776 0.783784
197 8PZ 0.438776 0.678161
198 J1A 0.4375 0.740741
199 LPA AMP 0.436893 0.710843
200 J1C 0.435897 0.67033
201 7MD 0.435644 0.690476
202 AFH 0.435644 0.707317
203 GA7 0.435644 0.789474
204 4UU 0.435644 0.734177
205 J1B 0.434783 0.67033
206 YSA 0.434343 0.678161
207 4UW 0.432692 0.75
208 TXD 0.432692 0.746835
209 ARJ 0.432432 0.776119
210 MCF 0.432099 0.842857
211 GTA 0.431373 0.731707
212 TAD 0.431373 0.728395
213 KH3 0.431373 0.802632
214 4YB 0.431373 0.662921
215 TYR AMP 0.43 0.734177
216 AMP DBH 0.43 0.753247
217 IVH 0.428571 0.813333
218 AHZ 0.427184 0.731707
219 3NZ 0.427083 0.833333
220 7C5 0.425743 0.773333
221 G3A 0.425743 0.716049
222 2A5 0.425287 0.708861
223 7MC 0.424528 0.694118
224 AP0 0.424528 0.7375
225 TT8 0.423913 0.898551
226 YLP 0.423077 0.694118
227 48N 0.423077 0.7375
228 CNA 0.422018 0.74359
229 ARG AMP 0.421569 0.682353
230 AR6 AR6 0.421569 0.773333
231 G5P 0.421569 0.716049
232 ATR 0.420455 0.746667
233 101 0.419753 0.714286
234 D3Y 0.419355 0.816901
235 NXX 0.419048 0.74359
236 DND 0.419048 0.74359
237 6V0 0.419048 0.716049
238 NAX 0.419048 0.698795
239 NAI 0.419048 0.725
240 7D4 0.418605 0.696203
241 DQV 0.417476 0.763158
242 A A A 0.416667 0.763158
243 OMR 0.415094 0.722892
244 TXE 0.415094 0.725
245 649 0.415094 0.648352
246 D5M 0.414634 0.714286
247 DA 0.414634 0.714286
248 139 0.412844 0.698795
249 T5A 0.412844 0.694118
250 ADJ 0.412844 0.702381
251 YLB 0.411215 0.714286
252 YLC 0.411215 0.710843
253 F0P 0.411215 0.797297
254 8Q2 0.411215 0.655556
255 J1D 0.410714 0.628866
256 AYB 0.409091 0.705882
257 A2R 0.408602 0.763158
258 A4P 0.407407 0.659091
259 UP5 0.40566 0.734177
260 F2R 0.405405 0.674419
261 IOT 0.40367 0.666667
262 6CR 0.402597 0.805556
263 WSA 0.401869 0.686047
264 TYM 0.401869 0.74359
265 AF3 ADP 3PG 0.401869 0.707317
266 4TA 0.401786 0.702381
267 YLA 0.4 0.674419
Ligand no: 2; Ligand: SAM; Similar ligands found: 202
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 ADN 0.565789 0.773333
9 RAB 0.565789 0.773333
10 XYA 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 5AL 0.510417 0.743902
25 54H 0.510204 0.673913
26 VMS 0.510204 0.673913
27 0UM 0.51 0.857143
28 AMP 0.505747 0.707317
29 LMS 0.505747 0.666667
30 A 0.505747 0.707317
31 ABM 0.505618 0.753086
32 A5A 0.505155 0.688889
33 SON 0.5 0.746988
34 SSA 0.5 0.684783
35 6RE 0.5 0.78481
36 K15 0.5 0.883117
37 5AD 0.5 0.75
38 SRP 0.5 0.746988
39 LSS 0.49505 0.706522
40 CA0 0.494624 0.714286
41 A12 0.494505 0.705882
42 AP2 0.494505 0.705882
43 ME8 0.490385 0.841463
44 TSB 0.49 0.681319
45 53H 0.49 0.666667
46 DAL AMP 0.49 0.765432
47 5CA 0.49 0.684783
48 ACP 0.489362 0.694118
49 ADP 0.48913 0.690476
50 5AS 0.48913 0.648936
51 J7C 0.488889 0.772152
52 A2D 0.488889 0.690476
53 ZAS 0.488636 0.769231
54 9ZD 0.485149 0.729412
55 9ZA 0.485149 0.729412
56 8QN 0.485149 0.743902
57 GAP 0.484536 0.73494
58 AN2 0.483871 0.682353
59 A3S 0.483871 0.813333
60 A7D 0.483871 0.851351
61 GJV 0.483516 0.775
62 SRA 0.483146 0.694118
63 LAD 0.480769 0.752941
64 KAA 0.480769 0.698925
65 GSU 0.480769 0.722222
66 AMO 0.480392 0.746988
67 DSZ 0.480392 0.703297
68 52H 0.48 0.666667
69 M33 0.478723 0.722892
70 BA3 0.478261 0.690476
71 MAO 0.478261 0.82716
72 NEC 0.477778 0.75
73 AOC 0.477778 0.776316
74 DSH 0.477778 0.842105
75 SXZ 0.47619 0.894737
76 AHX 0.475728 0.701149
77 NVA LMS 0.475728 0.736264
78 Y3J 0.47561 0.706667
79 G5A 0.474227 0.684783
80 A3T 0.473684 0.8
81 B4P 0.473118 0.690476
82 AP5 0.473118 0.690476
83 A3N 0.472527 0.766234
84 KB1 0.471698 0.833333
85 PRX 0.46875 0.73494
86 APC 0.46875 0.705882
87 AT4 0.468085 0.686047
88 PAJ 0.466019 0.712644
89 4AD 0.466019 0.759036
90 RBY 0.463918 0.72619
91 ADP PO3 0.463918 0.728395
92 ADV 0.463918 0.72619
93 ADX 0.463158 0.666667
94 MHZ 0.463158 0.82716
95 AU1 0.463158 0.674419
96 YAP 0.462963 0.738095
97 TXA 0.462264 0.72619
98 NB8 0.462264 0.72093
99 A3G 0.461538 0.802632
100 VRT 0.459184 0.842105
101 XAH 0.458716 0.715909
102 YSA 0.458716 0.684783
103 HEJ 0.458333 0.690476
104 50T 0.458333 0.682353
105 ATP 0.458333 0.690476
106 LEU LMS 0.457143 0.717391
107 7D7 0.45679 0.723684
108 KH3 0.455357 0.871795
109 ACQ 0.454545 0.694118
110 AR6 0.453608 0.710843
111 APR 0.453608 0.710843
112 AQP 0.453608 0.690476
113 5FA 0.453608 0.690476
114 NSS 0.451923 0.703297
115 FA5 0.449541 0.746988
116 A5D 0.44898 0.789474
117 AD9 0.44898 0.674419
118 AGS 0.44898 0.678161
119 SAP 0.44898 0.678161
120 PTJ 0.448598 0.72093
121 YLB 0.448276 0.758621
122 YLP 0.447368 0.738636
123 8X1 0.446602 0.680851
124 D3Y 0.446602 0.792208
125 ADP ALF 0.445545 0.678161
126 ALF ADP 0.445545 0.678161
127 3AM 0.444444 0.674699
128 MYR AMP 0.444444 0.776471
129 OAD 0.443396 0.73494
130 2VA 0.443299 0.779221
131 S8M 0.442308 0.831169
132 OOB 0.442308 0.722892
133 TYR AMP 0.441441 0.759036
134 6YZ 0.441176 0.694118
135 ADP VO4 0.441176 0.702381
136 VO4 ADP 0.441176 0.702381
137 T99 0.44 0.686047
138 TAT 0.44 0.686047
139 ANP 0.44 0.674419
140 WAQ 0.439252 0.75
141 B5Y 0.436364 0.717647
142 8PZ 0.436364 0.684783
143 F0P 0.435897 0.844156
144 YLC 0.435897 0.755814
145 AAT 0.435644 0.797468
146 1ZZ 0.435185 0.755814
147 9K8 0.435185 0.663158
148 3OD 0.435185 0.73494
149 NVA 2AD 0.434343 0.855263
150 00A 0.433962 0.689655
151 DLL 0.433962 0.722892
152 ARG AMP 0.433628 0.727273
153 7MD 0.433628 0.715909
154 ATF 0.431373 0.666667
155 SO8 0.43 0.792208
156 3UK 0.429907 0.714286
157 A6D 0.429907 0.72619
158 9X8 0.429907 0.717647
159 F2R 0.429752 0.7
160 5SV 0.428571 0.741176
161 AMP DBH 0.428571 0.714286
162 TYM 0.42735 0.746988
163 WSA 0.42735 0.692308
164 9SN 0.427273 0.681818
165 AHZ 0.426087 0.755814
166 P5A 0.425926 0.691489
167 B5V 0.425926 0.705882
168 PR8 0.425926 0.744186
169 A A 0.425926 0.710843
170 3NZ 0.425926 0.807692
171 A1R 0.424528 0.709302
172 2A5 0.424242 0.674419
173 7MC 0.423729 0.719101
174 B5M 0.423423 0.717647
175 7D5 0.422222 0.658824
176 JB6 0.422018 0.709302
177 FYA 0.422018 0.722892
178 AYB 0.421488 0.75
179 A22 0.419048 0.682353
180 MAP 0.419048 0.659091
181 2AM 0.417582 0.666667
182 TAD 0.417391 0.712644
183 A3P 0.416667 0.686747
184 ADP BMA 0.416667 0.714286
185 25A 0.415094 0.690476
186 YLA 0.413223 0.719101
187 8Q2 0.411765 0.663158
188 A3R 0.411215 0.709302
189 ADQ 0.411215 0.694118
190 48N 0.410256 0.72093
191 0XU 0.41 0.824324
192 GA7 0.408696 0.72619
193 7D3 0.40625 0.643678
194 PAP 0.405941 0.678571
195 DQV 0.405172 0.702381
196 OVE 0.404255 0.662791
197 4UV 0.403509 0.697674
198 AF3 ADP 3PG 0.403361 0.712644
199 3AD 0.402299 0.783784
200 CMP 0.402062 0.691358
201 2BA 0.402062 0.682927
202 7C5 0.4 0.731707
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2YY8; Ligand: MTA; 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: 2yy8.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2YY8; Ligand: SAM; 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: 2yy8.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
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