Receptor
PDB id Resolution Class Description Source Keywords
4CNG 1.1 Å EC: 2.1.1.200 CRYSTAL STRUCTURE OF SULFOLOBUS ACIDOCALDARIUS TRMJ IN COMPLEX WITH S-ADENOSYL-L-HOMOCYSTEINE SULFOLOBUS ACIDOCALDARIUS TRANSFERASE TRNA 2-prime -O-METHYLTRANSFERASE SPOUT
Ref.: CHARACTERIZATION OF TWO HOMOLOGOUS 2'-O-METHYLTRANS SHOWING DIFFERENT SPECIFICITIES FOR THEIR TRNA SUBS RNA V. 20 1257 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SAH A:1158;
B:1158;
A:1157;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
384.411 C14 H20 N6 O5 S c1nc(...
GOL B:1157;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4CNG 1.1 Å EC: 2.1.1.200 CRYSTAL STRUCTURE OF SULFOLOBUS ACIDOCALDARIUS TRMJ IN COMPLEX WITH S-ADENOSYL-L-HOMOCYSTEINE SULFOLOBUS ACIDOCALDARIUS TRANSFERASE TRNA 2-prime -O-METHYLTRANSFERASE SPOUT
Ref.: CHARACTERIZATION OF TWO HOMOLOGOUS 2'-O-METHYLTRANS SHOWING DIFFERENT SPECIFICITIES FOR THEIR TRNA SUBS RNA V. 20 1257 2014
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4CNG - SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 4CNF - MTA C11 H15 N5 O3 S CSC[C@@H]1....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4CNG - SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 4CNF - MTA C11 H15 N5 O3 S CSC[C@@H]1....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4CNG - SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 4CNF - MTA C11 H15 N5 O3 S CSC[C@@H]1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SAH; Similar ligands found: 197
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 SXZ 0.692308 0.916667
6 DSH 0.692308 0.914286
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 ADN 0.573333 0.84058
20 XYA 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 AMP 0.529412 0.763158
36 A 0.529412 0.763158
37 5CA 0.525773 0.712644
38 ME8 0.524752 0.8125
39 M2T 0.52439 0.821918
40 6RE 0.523256 0.824324
41 GJV 0.522727 0.813333
42 AAT 0.515789 0.863014
43 LSS 0.515152 0.696629
44 KAA 0.514852 0.727273
45 J7C 0.511364 0.835616
46 A5A 0.510417 0.697674
47 SON 0.505495 0.805195
48 SRP 0.505155 0.805195
49 5AL 0.5 0.779221
50 VMS 0.5 0.681818
51 KH3 0.5 0.866667
52 ADX 0.5 0.694118
53 CA0 0.5 0.769231
54 AMP MG 0.5 0.74359
55 AMO 0.5 0.805195
56 54H 0.5 0.681818
57 AHX 0.49505 0.753086
58 TSB 0.494949 0.689655
59 53H 0.494949 0.674157
60 G5A 0.494737 0.712644
61 A2D 0.494382 0.74359
62 ABM 0.494382 0.74359
63 ZAS 0.494253 0.808219
64 A6D 0.490196 0.759494
65 8QN 0.49 0.779221
66 GEK 0.49 0.956522
67 GAP 0.489583 0.769231
68 A3S 0.48913 0.884058
69 AN2 0.48913 0.734177
70 S4M 0.488889 0.831169
71 SRA 0.488636 0.746835
72 LAD 0.485437 0.810127
73 52H 0.484848 0.674157
74 A12 0.483516 0.759494
75 BA3 0.483516 0.74359
76 AP2 0.483516 0.759494
77 AOC 0.483146 0.842857
78 NEC 0.483146 0.788732
79 Y3J 0.481481 0.768116
80 NVA LMS 0.480392 0.696629
81 VRT 0.479167 0.861111
82 50T 0.478723 0.734177
83 5AS 0.478261 0.655556
84 B4P 0.478261 0.74359
85 ADP 0.478261 0.74359
86 AP5 0.478261 0.74359
87 A3N 0.477778 0.830986
88 YSA 0.476636 0.712644
89 XAH 0.476636 0.768293
90 0XU 0.473684 0.897059
91 WAQ 0.471154 0.807692
92 NSS 0.470588 0.712644
93 5AD 0.468354 0.791045
94 ADP MG 0.468085 0.734177
95 AU1 0.468085 0.725
96 M33 0.468085 0.734177
97 MAO 0.467391 0.797468
98 TXA 0.466667 0.759494
99 A3G 0.466667 0.871429
100 NB8 0.466667 0.775
101 3AM 0.465909 0.727273
102 DAL AMP 0.465347 0.779221
103 ATP 0.463158 0.74359
104 ADP BEF 0.463158 0.716049
105 A3T 0.463158 0.842857
106 BEF ADP 0.463158 0.716049
107 ACP 0.463158 0.746835
108 7D7 0.4625 0.785714
109 LEU LMS 0.461538 0.677778
110 APC 0.458333 0.759494
111 AQP 0.458333 0.74359
112 APR 0.458333 0.766234
113 PRX 0.458333 0.746835
114 AR6 0.458333 0.766234
115 5FA 0.458333 0.74359
116 IOT 0.456897 0.761905
117 4AD 0.456311 0.794872
118 PAJ 0.456311 0.722892
119 WSA 0.45614 0.72093
120 FA5 0.453704 0.805195
121 YAP 0.453704 0.794872
122 RBY 0.453608 0.782051
123 ADV 0.453608 0.782051
124 ADP PO3 0.453608 0.763158
125 AD9 0.453608 0.725
126 SAP 0.453608 0.728395
127 AGS 0.453608 0.728395
128 PTJ 0.45283 0.731707
129 MHZ 0.452632 0.797468
130 00A 0.451923 0.740741
131 A3P 0.451613 0.74026
132 YLP 0.451327 0.771084
133 7MD 0.45045 0.768293
134 ALF ADP 0.45 0.707317
135 ADP ALF 0.45 0.707317
136 ATP MG 0.44898 0.734177
137 2VA 0.447917 0.819444
138 OOB 0.446602 0.779221
139 ANP 0.444444 0.725
140 ACQ 0.444444 0.746835
141 TAT 0.444444 0.7375
142 P5A 0.443396 0.719101
143 7D5 0.443182 0.708861
144 ARG AMP 0.442478 0.759036
145 A1R 0.442308 0.7625
146 YLC 0.439655 0.790123
147 2AM 0.438202 0.717949
148 DLL 0.438095 0.779221
149 A22 0.436893 0.734177
150 D3Y 0.436893 0.859155
151 TYR AMP 0.436364 0.782051
152 ATF 0.435644 0.716049
153 MYR AMP 0.435185 0.746988
154 SO8 0.434343 0.808219
155 3UK 0.433962 0.769231
156 OAD 0.433962 0.769231
157 TAD 0.433628 0.765432
158 25A 0.432692 0.74359
159 ANP MG 0.431373 0.707317
160 VO4 ADP 0.431373 0.734177
161 ADP VO4 0.431373 0.734177
162 9SN 0.431193 0.731707
163 TYM 0.431034 0.805195
164 PR8 0.429907 0.8
165 ADQ 0.428571 0.746835
166 YLB 0.42735 0.771084
167 3OD 0.425926 0.769231
168 FYA 0.425926 0.779221
169 1ZZ 0.425926 0.746988
170 PPS 0.425743 0.674419
171 NVA 2AD 0.424242 0.808219
172 MAP 0.423077 0.707317
173 A2P 0.421053 0.727273
174 4YB 0.421053 0.735632
175 ADP BMA 0.420561 0.746835
176 5SV 0.419048 0.731707
177 3NZ 0.416667 0.824324
178 YLA 0.416667 0.771084
179 48N 0.413793 0.753086
180 LPA AMP 0.413793 0.768293
181 AYB 0.413223 0.761905
182 QQY 0.413043 0.696203
183 ACK 0.413043 0.710526
184 JB6 0.412844 0.7625
185 BIS 0.412844 0.719512
186 PAP 0.41 0.730769
187 OVE 0.408602 0.7125
188 4UV 0.40708 0.75
189 AMP DBH 0.40708 0.746835
190 3AD 0.406977 0.852941
191 AF3 ADP 3PG 0.40678 0.743902
192 OMR 0.40678 0.738095
193 LAQ 0.405172 0.768293
194 A A 0.40367 0.74359
195 7C5 0.403509 0.789474
196 7MC 0.403361 0.75
197 4UU 0.4 0.75
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4CNG; Ligand: SAH; Similar sites found: 100
This union binding pocket(no: 1) in the query (biounit: 4cng.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2BOS GLA GAL GLC NBU 0.009553 0.43625 None
2 2BOS GLA GAL GLC 0.01015 0.43491 None
3 2DQA NAG NAG NAG 0.01493 0.41442 None
4 5KK4 44E 0.03569 0.40284 None
5 5APG EEM 0.0004468 0.45648 1.08108
6 1ZX5 LFR 0.02099 0.41819 1.56863
7 2Z9I GLY ALA THR VAL 0.04035 0.40316 1.56863
8 5UDS ATP 0.0008464 0.47669 1.96078
9 2OQ2 A3P 0.001393 0.43533 1.96078
10 3OKP GDD 0.007747 0.42048 1.96078
11 3M2W L8I 0.01787 0.40669 1.96078
12 4JWJ SAH 0.000006596 0.52409 1.9802
13 2C5S AMP 0.006397 0.43746 2.35294
14 3BBH SFG 0.000001067 0.58892 2.43902
15 3BBD SAH 0.000001998 0.57653 2.43902
16 3HQP FDP 0.0179 0.41046 2.7451
17 1CM8 ANP 0.01305 0.40612 2.7451
18 4JWH SAH 0.000002062 0.53944 3.13725
19 5VRH PLM 0.01187 0.42579 3.13725
20 1KGZ PRP 0.007743 0.42448 3.13725
21 5HVJ ANP 0.0163 0.42389 3.13725
22 3PTG 932 0.02243 0.40946 3.13725
23 1VKF CIT 0.02019 0.41799 3.19149
24 3AIA SAM 0.000001135 0.59508 3.31754
25 3P7G MAN 0.04181 0.40079 3.42466
26 3CV3 UDP 0.01031 0.40745 3.52941
27 3PUN FUC GAL NDG FUC 0.03363 0.4071 3.52941
28 4AU8 Z3R 0.02701 0.40146 3.52941
29 4RRG A3T 0.008859 0.40711 3.5461
30 4JWF SAH 0.00000503 0.52894 3.68664
31 2VN9 GVD 0.01635 0.41653 3.92157
32 4WOE 3S5 0.02081 0.40814 3.92157
33 5UE4 5XQ 0.02655 0.40976 4.23729
34 4IF4 BEF 0.01878 0.40477 4.31373
35 4DC2 ADE 0.03561 0.40284 4.31373
36 1MJH ATP 0.00547 0.40986 4.32099
37 3PA8 621 0.02547 0.41072 4.33071
38 4PTN PYR 0.02337 0.40764 4.37318
39 5TVA AMP 0.01449 0.41117 4.58333
40 3GGF GVD 0.01386 0.40841 4.65116
41 2Z48 NGA 0.01479 0.42492 4.70588
42 1J1R ADE 0.01831 0.41972 4.70588
43 3SRV S19 0.009717 0.41211 4.70588
44 4HSE ADP 0.02371 0.40066 4.70588
45 5TWJ SAM 0.00000007946 0.60994 5.09804
46 4MCC 21X 0.0007452 0.43262 5.28455
47 1U3G ADP 0.02774 0.40875 5.29101
48 2B9J ADP 0.009185 0.41325 5.4902
49 2B9F ADP 0.01129 0.40564 5.4902
50 2V7B BEZ 0.03992 0.40194 5.4902
51 3BP1 GUN 0.00862 0.43765 5.88235
52 2WSI FAD 0.004418 0.41384 5.88235
53 1U59 STU 0.00835 0.41164 5.88235
54 1Q8Y ADP 0.008137 0.40554 5.88235
55 1S4P GDP 0.02268 0.4016 5.88235
56 2FKA BEF 0.02533 0.40884 6.20155
57 1P9P SAH 0.0001672 0.47041 6.27451
58 4WNP 3RJ 0.01358 0.40883 6.27451
59 3O7B SAH 0.000009136 0.46389 6.55738
60 2D09 FLV 0.03107 0.40213 6.66667
61 3LQV ADE 0.01299 0.43252 6.95652
62 3HGM ATP 0.002179 0.427 7.48299
63 1LTZ HBI 0.02682 0.40953 8.23529
64 3ALN ANP 0.01897 0.40919 8.23529
65 1UNH IXM 0.01671 0.40812 8.23529
66 1LPD ADE 0.01441 0.4152 8.26772
67 3OII SAH 0.000003831 0.55091 8.3004
68 5AWM ANP 0.008114 0.42769 8.62745
69 2HK9 ATR 0.02857 0.40022 8.62745
70 5A7Y SAH 0.00009525 0.53086 9.01961
71 5AHO TLA 0.0451 0.40872 9.01961
72 1I1E DM2 0.03805 0.40144 9.01961
73 1O94 AMP 0.003514 0.42506 9.09091
74 1MXI SAH 0.000000002778 0.69707 9.375
75 3NK7 SAM 0.000000009776 0.66415 9.41177
76 2GEK GDP 0.0115 0.41608 9.41177
77 3GYQ SAM 0.00000008462 0.63093 9.80392
78 1CT9 AMP 0.01175 0.42392 9.80392
79 2YY8 SAM 0.000007899 0.53719 9.95025
80 2YY8 MTA 0.00007374 0.5229 9.95025
81 3KDM TES 0.0196 0.42076 10.0917
82 3Q3H UDP 0.01116 0.42967 10.1961
83 1TZD ADP 0.01948 0.41516 10.1961
84 3G89 SAM 0.01716 0.40395 10.1961
85 2QES ADE 0.02517 0.41414 10.3448
86 2V7O DRN 0.01318 0.42135 10.9804
87 5BWD FUM 0.02867 0.41036 10.9804
88 5H41 IFM 0.02966 0.40721 10.9804
89 4NBI D3Y 0.002576 0.42052 11.5854
90 2PUL ACP 0.01577 0.40226 12.9412
91 1N07 ADP 0.009527 0.4057 13.4969
92 5AHW CMP 0.000398 0.47187 13.6054
93 5MRH Q9Z 0.03312 0.40068 13.7255
94 1GPM AMP 0.002777 0.46441 17.6471
95 3DCM SAM 0.00000001085 0.66218 18.75
96 5TVF PUT 0.01396 0.4238 21.5686
97 1M26 GAL A2G 0.02088 0.40773 25.5639
98 5H5F SAM 0.000008646 0.52443 29.0598
99 1V2X SAM 0.0000000009292 0.70879 31.9588
100 4JAL SAH 0.0000000001526 0.61984 37.7246
Pocket No.: 2; Query (leader) PDB : 4CNG; Ligand: SAH; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4cng.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4CNG; Ligand: SAH; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 4cng.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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