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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: 211
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 DSH 0.692308 0.914286
6 SXZ 0.692308 0.916667
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 ADN 0.573333 0.84058
19 RAB 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 SMM 0.536842 0.88
28 SSA 0.536842 0.712644
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 A 0.529412 0.763158
36 LMS 0.529412 0.694118
37 AMP 0.529412 0.763158
38 5CA 0.525773 0.712644
39 ME8 0.524752 0.8125
40 M2T 0.52439 0.821918
41 6RE 0.523256 0.824324
42 GJV 0.522727 0.813333
43 AAT 0.515789 0.863014
44 LSS 0.515152 0.696629
45 KAA 0.514852 0.727273
46 J7C 0.511364 0.835616
47 A5A 0.510417 0.697674
48 SON 0.505495 0.805195
49 SRP 0.505155 0.805195
50 F0P 0.504505 0.915493
51 54H 0.5 0.681818
52 VMS 0.5 0.681818
53 ADX 0.5 0.694118
54 CA0 0.5 0.769231
55 AMO 0.5 0.805195
56 5AL 0.5 0.779221
57 KH3 0.5 0.866667
58 NVA LMS 0.49505 0.707865
59 AHX 0.49505 0.753086
60 TSB 0.494949 0.689655
61 53H 0.494949 0.674157
62 G5A 0.494737 0.712644
63 ABM 0.494382 0.74359
64 A2D 0.494382 0.74359
65 ZAS 0.494253 0.808219
66 A6D 0.490196 0.759494
67 8QN 0.49 0.779221
68 GEK 0.49 0.956522
69 GAP 0.489583 0.769231
70 AN2 0.48913 0.734177
71 A3S 0.48913 0.884058
72 S4M 0.488889 0.831169
73 SRA 0.488636 0.746835
74 LAD 0.485437 0.810127
75 52H 0.484848 0.674157
76 A12 0.483516 0.759494
77 BA3 0.483516 0.74359
78 AP2 0.483516 0.759494
79 NEC 0.483146 0.788732
80 AOC 0.483146 0.842857
81 Y3J 0.481481 0.768116
82 VRT 0.479167 0.861111
83 50T 0.478723 0.734177
84 B4P 0.478261 0.74359
85 ADP 0.478261 0.74359
86 5AS 0.478261 0.655556
87 AP5 0.478261 0.74359
88 A3N 0.477778 0.830986
89 YSA 0.476636 0.712644
90 XAH 0.476636 0.768293
91 0XU 0.473684 0.897059
92 AT4 0.473118 0.7375
93 WAQ 0.471154 0.807692
94 NSS 0.470588 0.712644
95 5AD 0.468354 0.791045
96 AU1 0.468085 0.725
97 M33 0.468085 0.734177
98 MAO 0.467391 0.797468
99 TXA 0.466667 0.759494
100 NB8 0.466667 0.775
101 A3G 0.466667 0.871429
102 3AM 0.465909 0.727273
103 DAL AMP 0.465347 0.779221
104 8X1 0.465347 0.707865
105 A3T 0.463158 0.842857
106 ATP 0.463158 0.74359
107 HEJ 0.463158 0.74359
108 ACP 0.463158 0.746835
109 7D7 0.4625 0.785714
110 LEU LMS 0.461538 0.688889
111 9ZA 0.460784 0.740741
112 9ZD 0.460784 0.740741
113 5FA 0.458333 0.74359
114 AQP 0.458333 0.74359
115 AR6 0.458333 0.766234
116 APC 0.458333 0.759494
117 APR 0.458333 0.766234
118 PRX 0.458333 0.746835
119 F2R 0.457627 0.75
120 IOT 0.456897 0.761905
121 4AD 0.456311 0.794872
122 PAJ 0.456311 0.722892
123 WSA 0.45614 0.72093
124 YAP 0.453704 0.794872
125 8PZ 0.453704 0.712644
126 FA5 0.453704 0.805195
127 ADP PO3 0.453608 0.763158
128 ADV 0.453608 0.782051
129 NVA 2AD 0.453608 0.849315
130 SAP 0.453608 0.728395
131 AGS 0.453608 0.728395
132 RBY 0.453608 0.782051
133 AD9 0.453608 0.725
134 PTJ 0.45283 0.731707
135 MHZ 0.452632 0.797468
136 00A 0.451923 0.740741
137 A3P 0.451613 0.74026
138 YLP 0.451327 0.771084
139 7MD 0.45045 0.768293
140 ALF ADP 0.45 0.707317
141 ADP ALF 0.45 0.707317
142 2VA 0.447917 0.819444
143 OOB 0.446602 0.779221
144 ANP 0.444444 0.725
145 T99 0.444444 0.7375
146 ACQ 0.444444 0.746835
147 TAT 0.444444 0.7375
148 P5A 0.443396 0.719101
149 7D5 0.443182 0.708861
150 A1R 0.442308 0.7625
151 YLC 0.439655 0.790123
152 2AM 0.438202 0.717949
153 DLL 0.438095 0.779221
154 ARG AMP 0.4375 0.759036
155 A22 0.436893 0.734177
156 D3Y 0.436893 0.859155
157 ATF 0.435644 0.716049
158 MYR AMP 0.435185 0.746988
159 80F 0.434426 0.75
160 SO8 0.434343 0.808219
161 OAD 0.433962 0.769231
162 3UK 0.433962 0.769231
163 TAD 0.433628 0.765432
164 25A 0.432692 0.74359
165 6YZ 0.431373 0.746835
166 VO4 ADP 0.431373 0.734177
167 ADP VO4 0.431373 0.734177
168 9SN 0.431193 0.731707
169 TYM 0.431034 0.805195
170 B5V 0.429907 0.759494
171 PR8 0.429907 0.8
172 ADQ 0.428571 0.746835
173 YLB 0.42735 0.771084
174 9K8 0.425926 0.67033
175 1ZZ 0.425926 0.746988
176 FYA 0.425926 0.779221
177 3OD 0.425926 0.769231
178 PPS 0.425743 0.674419
179 MAP 0.423077 0.707317
180 A2P 0.421053 0.727273
181 4YB 0.421053 0.735632
182 9X8 0.420561 0.75
183 ADP BMA 0.420561 0.746835
184 TYR AMP 0.419643 0.794872
185 5SV 0.419048 0.731707
186 3NZ 0.416667 0.824324
187 YLA 0.416667 0.771084
188 8Q2 0.415254 0.688889
189 A3R 0.415094 0.7625
190 B5Y 0.414414 0.75
191 B5M 0.414414 0.75
192 48N 0.413793 0.753086
193 LPA AMP 0.413793 0.768293
194 AYB 0.413223 0.761905
195 ACK 0.413043 0.710526
196 QQY 0.413043 0.696203
197 BIS 0.412844 0.719512
198 JB6 0.412844 0.7625
199 PAP 0.41 0.730769
200 DQV 0.408696 0.75641
201 OVE 0.408602 0.7125
202 AMP DBH 0.40708 0.746835
203 4UV 0.40708 0.75
204 3AD 0.406977 0.852941
205 AF3 ADP 3PG 0.40678 0.743902
206 OMR 0.40678 0.738095
207 LAQ 0.405172 0.768293
208 A A 0.40367 0.74359
209 7C5 0.403509 0.789474
210 7MC 0.403361 0.75
211 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 with APoc: 140
This union binding pocket(no: 1) in the query (biounit: 4cng.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 2BOS GLA GAL GLC NBU None
2 2BOS GLA GAL GLC None
3 6MJ7 ARG None
4 2DQA NAG NAG NAG None
5 5KK4 44E None
6 5C2N NAG None
7 5APG EEM 1.08108
8 1ZX5 LFR 1.56863
9 2Z9I GLY ALA THR VAL 1.56863
10 4ZU3 4SD 1.76211
11 2OQ2 A3P 1.96078
12 3OKP GDD 1.96078
13 6B2M COA 1.96078
14 3M2W L8I 1.96078
15 1Q19 APC 1.96078
16 4JWJ SAH 1.9802
17 2C5S AMP 2.35294
18 3BBH SFG 2.43902
19 3BBD SAH 2.43902
20 3HQP FDP 2.7451
21 1CM8 ANP 2.7451
22 6GZD LCI 2.7451
23 1P4A PCP 2.7451
24 1H5S TMP 2.7451
25 4JWH SAH 3.13725
26 4UX9 ANP 3.13725
27 5VRH PLM 3.13725
28 1KGZ PRP 3.13725
29 5HVJ ANP 3.13725
30 3PTG 932 3.13725
31 1VKF CIT 3.19149
32 4JLS 3ZE 3.28947
33 3AIA SAM 3.31754
34 3P7G MAN 3.42466
35 1ELI PYC 3.52941
36 6F3G CJN 3.52941
37 3CV3 UDP 3.52941
38 3PUN FUC GAL NDG FUC 3.52941
39 5WXU FLC 3.52941
40 4AU8 Z3R 3.52941
41 4RRG A3T 3.5461
42 4JWF SAH 3.68664
43 2OFW ADX 3.84615
44 2VN9 GVD 3.92157
45 4M3P HCS 3.92157
46 4WOE 3S5 3.92157
47 3WB0 FEG 4.21687
48 5UE4 5XQ 4.23729
49 4IF4 BEF 4.31373
50 4UXL 5P8 4.31373
51 4DC2 ADE 4.31373
52 1MJH ATP 4.32099
53 3PA8 621 4.33071
54 4PTN PYR 4.37318
55 4RR7 A3S 4.41176
56 5TVA AMP 4.58333
57 3GGF GVD 4.65116
58 2Z48 NGA 4.70588
59 1J1R ADE 4.70588
60 2Z49 AMG 4.70588
61 3SRV S19 4.70588
62 4HSE ADP 4.70588
63 5TWJ SAM 5.09804
64 3FSY SCA 5.09804
65 5Y86 HRM 5.09804
66 1F6D UDP 5.09804
67 4MCC 21X 5.28455
68 1U3G ADP 5.29101
69 5Y80 IRE 5.40541
70 2NU8 COA 5.4902
71 2B9J ADP 5.4902
72 2B9F ADP 5.4902
73 2V7B BEZ 5.4902
74 2CHT TSA 5.51181
75 3BP1 GUN 5.88235
76 2WSI FAD 5.88235
77 1U59 STU 5.88235
78 1S4P GDP 5.88235
79 1Q8Y ADP 5.88235
80 2FKA BEF 6.20155
81 1P9P SAH 6.27451
82 4WNP 3RJ 6.27451
83 3O7B SAH 6.55738
84 2D09 FLV 6.66667
85 3LQV ADE 6.95652
86 3HGM ATP 7.48299
87 1V6A TRE 7.83133
88 3RK1 ATP 8.01688
89 1LTZ HBI 8.23529
90 3ALN ANP 8.23529
91 1UNH IXM 8.23529
92 5UPK ANP 8.23529
93 1LPD ADE 8.26772
94 3OII SAH 8.3004
95 5AWM ANP 8.62745
96 3G6K FAD 8.62745
97 2HK9 ATR 8.62745
98 5A7Y SAH 9.01961
99 5AHO TLA 9.01961
100 1I1E DM2 9.01961
101 3ZXE PGZ 9.02256
102 1O94 AMP 9.09091
103 5CIC 51R 9.25926
104 1MXI SAH 9.375
105 3NK7 SAM 9.41177
106 2GEK GDP 9.41177
107 3GYQ SAM 9.80392
108 1CT9 AMP 9.80392
109 2YY8 SAM 9.95025
110 2YY8 MTA 9.95025
111 3KDM TES 10.0917
112 3Q3H UDP 10.1961
113 1TZD ADP 10.1961
114 3G89 SAM 10.1961
115 2QES ADE 10.3448
116 2V7O DRN 10.9804
117 5BWD FUM 10.9804
118 5H41 IFM 10.9804
119 5O96 SAM 11.0204
120 6EKZ SNP 11.3725
121 4NBI D3Y 11.5854
122 5A1S FLC 11.6071
123 6G33 5ID 11.7647
124 6EMU SAM 12.1827
125 5U97 PIT 12.549
126 5YW5 ADE 12.8492
127 5CGE 51F 12.9412
128 2PUL ACP 12.9412
129 1N07 ADP 13.4969
130 5AHW CMP 13.6054
131 5MRH Q9Z 13.7255
132 1YUM NCN 17.3554
133 1GPM AMP 17.6471
134 3DCM SAM 18.75
135 5TVF PUT 21.5686
136 1M26 GAL A2G 25.5639
137 5H5F SAM 29.0598
138 1V2X SAM 31.9588
139 3OKA GDD 33.3333
140 4JAL SAH 37.7246
Pocket No.: 2; Query (leader) PDB : 4CNG; Ligand: SAH; Similar sites found with APoc: 69
This union binding pocket(no: 2) in the query (biounit: 4cng.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 1YQC GLV 1.76471
2 4TWP AXI 2.35294
3 2ZV2 609 2.35294
4 4GAH 0ET 2.39234
5 3IB1 IMN 2.7451
6 1USR SIA WIA 2.7451
7 1OPK P16 2.7451
8 4PYA 2X3 3.10559
9 3VHE 42Q 3.13725
10 4ASE AV9 3.13725
11 3E7O 35F 3.13725
12 6GWR FEW 3.13725
13 4GLW NMN 3.52941
14 5LY1 PPI 3.52941
15 4AT3 LTI 3.52941
16 3L8H FX1 3.91061
17 2XMY CDK 3.92157
18 5OVL NAP 3.92157
19 1QXA GLY GLY GLY 4.25532
20 2F6U CIT 4.2735
21 2XCU C5P 4.31373
22 2HQM FAD 4.31373
23 5TV6 PML 4.58333
24 2RH4 EMO 4.70588
25 4CRL C1I 4.70588
26 1TIQ COA 5
27 1EFV FAD 5.09804
28 1EFV AMP 5.09804
29 6CZ3 FLJ 5.09804
30 1O9U ADZ 5.09804
31 1EK6 UPG 5.09804
32 1EK6 NAI 5.09804
33 5WS9 AMP 5.09804
34 1G0N NDP 5.09804
35 5FFF NAP 5.4902
36 4CLI 5P8 5.4902
37 2B6N ALA PRO THR 5.88235
38 3G5D 1N1 5.88235
39 3RJ5 NAD 5.90551
40 3BJE URA 6.27451
41 5TO8 7FM 6.38298
42 4QED NAP 6.45161
43 5LXT GTP 6.99301
44 1E1M FAD 7.05882
45 1E1M NAP 7.05882
46 5JFS 6K0 7.84314
47 1MRH FMC 7.84314
48 3KO8 NAD 7.84314
49 3AJ4 SEP 8.03571
50 4Y4V DAL 8.23529
51 5FEU NAP 8.23529
52 3G6K POP 8.62745
53 6EOM ALA LYS 8.62745
54 4R2M ANP 8.86076
55 5THQ NDP 9.01961
56 1O97 FAD 9.09091
57 1O97 AMP 9.09091
58 3VSV XYS 9.80392
59 1F5N GNP 10.1961
60 1RYD GLC 10.5882
61 4CQM NAP 10.9804
62 5YSI NCA 11.1842
63 4XQC NAD 12.1569
64 4XQC 13D 12.1569
65 4YZC STU 12.549
66 4G31 0WH 12.9412
67 4L2I FAD 22.3529
68 4KVL PLM 22.7451
69 2RIF AMP 25.5319
Pocket No.: 3; Query (leader) PDB : 4CNG; Ligand: SAH; Similar sites found with APoc: 43
This union binding pocket(no: 3) in the query (biounit: 4cng.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 6B79 ORA None
2 6GNO XDI None
3 1SBR VIB 1
4 5BSZ THM 1.6
5 1G51 AMP 1.96078
6 5NM7 GLY 1.96078
7 4X1Z FUC GAL NDG 2.35294
8 5XLS URA 2.35294
9 5X8G S0N 2.47423
10 4NMC 2OP 2.7451
11 4NMC FAD 2.7451
12 4A0M NAD 3.13725
13 4UZI IMD 3.13725
14 5FPE 3TR 3.13725
15 3LTW HLZ 3.13725
16 3A7R LAQ 3.52941
17 3N6M GTP 3.67965
18 2H29 DND 4.2328
19 2RKV ZBA 4.31373
20 1BZL FAD 4.31373
21 5A07 GDP 4.31373
22 2E5V FAD 4.70588
23 5LLT DND 5.16432
24 1JGT CMA 5.4902
25 1JGT APC 5.4902
26 2V2G BEZ 6.00858
27 4WB7 ATP 6.66667
28 1YJQ NAP 7.84314
29 4FK7 P34 7.86026
30 6B5G NAD 8.23529
31 4QIJ 1HA 8.23529
32 2RCU BUJ 8.62745
33 6AM8 TRP 9.41177
34 3FO2 BZH 10.0457
35 5MM0 GDD 10.5882
36 5O2Z FLC 10.9244
37 1KOR ANP 10.9804
38 1KOR SIN 10.9804
39 1KOR ARG 10.9804
40 5X2N ALA 11.0599
41 2ILZ GTP 12.1569
42 1T57 FMN 13.1068
43 1EB1 ZAL PRO MMO 37.037
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