Receptor
PDB id Resolution Class Description Source Keywords
4JWH 2.04 Å EC: 2.1.1.221 CRYSTAL STRUCTURE OF SPTRM10(FULL LENGTH)-SAH COMPLEX SCHIZOSACCHAROMYCES POMBE TRNA MTASE DOMAIN TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF TRNA M1G9 METHYLTRANSFERASE TR INSIGHT INTO THE CATALYTIC MECHANISM AND RECOGNITIO SUBSTRATE. NUCLEIC ACIDS RES. V. 42 509 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SAH A:401;
B:401;
Valid;
Valid;
none;
none;
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384.411 C14 H20 N6 O5 S c1nc(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4JWH 2.04 Å EC: 2.1.1.221 CRYSTAL STRUCTURE OF SPTRM10(FULL LENGTH)-SAH COMPLEX SCHIZOSACCHAROMYCES POMBE TRNA MTASE DOMAIN TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF TRNA M1G9 METHYLTRANSFERASE TR INSIGHT INTO THE CATALYTIC MECHANISM AND RECOGNITIO SUBSTRATE. NUCLEIC ACIDS RES. V. 42 509 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4JWH - SAH C14 H20 N6 O5 S c1nc(c2c(n....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4JWH - SAH C14 H20 N6 O5 S c1nc(c2c(n....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4JWH - SAH C14 H20 N6 O5 S c1nc(c2c(n....
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 : 4JWH; Ligand: SAH; Similar sites found: 96
This union binding pocket(no: 1) in the query (biounit: 4jwh.bio1) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1H5S TMP 0.01104 0.41024 1.36519
2 4IP7 FBP 0.001659 0.44465 1.59744
3 2F5X ASP 0.01028 0.43113 1.60256
4 3GYQ SAM 0.000007822 0.53909 1.83824
5 5TWJ SAM 0.000002146 0.54536 1.85185
6 4CNE SAH 0.0000007562 0.58388 1.87266
7 5EXK 5AD 0.02521 0.4109 1.91693
8 4ITH RCM 0.008992 0.40071 2.04082
9 5UDS ATP 0.007187 0.42736 2.0979
10 2CBZ ATP 0.03812 0.4023 2.1097
11 5TCI MLI 0.008877 0.44123 2.23642
12 3KRQ 3TR 0.01625 0.42136 2.23642
13 3ALN ANP 0.01259 0.40398 2.23642
14 1P9P SAH 0.000002161 0.52162 2.29885
15 3OII SAH 0.0000002017 0.54704 2.37154
16 5EWK P34 0.03703 0.40145 2.5
17 4B2D FBP 0.002559 0.43597 2.55591
18 4PPF FLC 0.01303 0.42461 2.55591
19 1K0E TRP 0.008916 0.41463 2.55591
20 5LFV SIA GAL NAG 0.03515 0.40717 2.55591
21 1C1X HFA 0.01835 0.40334 2.55591
22 1BW9 PPY 0.01679 0.4016 2.55591
23 2X1L MET 0.0304 0.40096 2.55591
24 1TE2 PGA 0.007299 0.44298 2.65487
25 2BD0 BIO 0.01756 0.40924 2.86885
26 5HVJ ANP 0.01498 0.42257 2.8754
27 4YMU ARG 0.01811 0.41247 2.8754
28 4KCT FDP 0.01316 0.41035 2.8754
29 4NAE 1GP 0.03807 0.40333 3.11111
30 4CNG SAH 0.000002062 0.53944 3.13725
31 1XPJ TLA 0.0006782 0.5126 3.1746
32 2UYQ SAM 0.0128 0.42614 3.22581
33 5APG EEM 0.0001015 0.48028 3.24324
34 2GUD BMA 0.02201 0.413 3.27869
35 4ZNL BEF ADP 0.02051 0.40099 3.28467
36 1EXF GLY 0.02083 0.40611 3.30579
37 5H5F SAM 0.00000005091 0.61289 3.4188
38 2TPI ILE VAL 0.01001 0.40514 3.49345
39 1N13 AG2 0.02707 0.40642 3.53982
40 1BO4 COA 0.02073 0.40449 3.57143
41 1MXI SAH 0.000003278 0.55576 3.75
42 3OKP GDD 0.007189 0.41906 3.83387
43 3ITA AIC 0.02782 0.41169 3.83387
44 3Q3H UDP 0.02319 0.41013 3.83387
45 4IF4 BEF 0.006147 0.43816 3.84615
46 3BBH SFG 0.00000002704 0.65629 3.90244
47 3BBD SAH 0.0000004369 0.51737 3.90244
48 1VQ2 DDN 0.01116 0.40298 4.14508
49 2PZI AXX 0.01498 0.40762 4.15335
50 4JAL SAH 0.000001839 0.5031 4.19162
51 1B74 DGN 0.006952 0.4441 4.33071
52 3NK7 SAM 0.000006612 0.48992 4.33213
53 1GPM AMP 0.002131 0.4721 4.47284
54 3CV3 UDP 0.007099 0.41189 4.47284
55 2YY8 SAM 0.000003951 0.54597 4.47761
56 2YY8 MTA 0.00002316 0.54334 4.47761
57 2FKA BEF 0.001956 0.48371 4.65116
58 2YN4 39J 0.02512 0.40777 4.66102
59 3B6R CRN 0.02713 0.41846 4.79233
60 4FK7 P34 0.008591 0.43205 4.80349
61 3OF1 CMP 0.02446 0.4009 4.87805
62 1V2X SAM 0.00002338 0.4715 5.11182
63 4Y2B EPK 0.01507 0.41996 5.11182
64 4F9C 0SX 0.005897 0.41923 5.11182
65 4CFT H4B 0.04565 0.4012 5.11182
66 3DCJ THH 0.01977 0.40177 5.11628
67 3O7B SAH 0.000001213 0.5102 5.32787
68 3EGI ADP 0.01254 0.42413 5.33981
69 3FGZ BEF 0.002434 0.45907 5.46875
70 5L3S G 0.04003 0.4029 5.7047
71 4WEI GLC GAL 0.00267 0.47406 5.7508
72 5TVA AMP 0.003784 0.43656 5.83333
73 1OBD AMP 0.01939 0.4353 5.88235
74 2X2T GAL NGA 0.03266 0.41078 5.88235
75 2C5S AMP 0.008257 0.42884 6.07029
76 3VSV XYS 0.03204 0.40591 6.07029
77 3NW7 LGV 0.01027 0.40753 6.18893
78 4RRG A3T 0.005105 0.41479 6.38298
79 2FR6 CTN 0.002894 0.42569 6.84932
80 2FR6 URI 0.009752 0.40233 6.84932
81 3RK1 ATP 0.007916 0.41708 7.59494
82 1L5Y BEF 0.02504 0.40808 7.74194
83 4MCC 21X 0.000007602 0.51445 8.13008
84 2HVW DDN 0.008496 0.41563 8.69565
85 2ZX2 RAM 0.03855 0.40251 8.71795
86 2Z49 AMG 0.02554 0.40236 8.94569
87 2IVF MGD 0.01045 0.40248 9.58466
88 3DCM SAM 0.000005801 0.49374 10.4167
89 3AIA SAM 0.0000005659 0.50784 10.4265
90 3QDW NDG 0.03695 0.40067 11.1888
91 2PIE GLU LEU LYS TPO GLU ARG TYR 0.03605 0.40472 13.0435
92 3R4S SIA 0.01532 0.41397 13.738
93 2ZZV LAC 0.02005 0.41715 14.0575
94 1XVB BHL BHL 0.03413 0.40485 14.1176
95 3B6C SDN 0.01001 0.42925 14.9573
96 5A7Y SAH 0.0000007618 0.63331 28.8462
Pocket No.: 2; Query (leader) PDB : 4JWH; Ligand: SAH; Similar sites found: 21
This union binding pocket(no: 2) in the query (biounit: 4jwh.bio2) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1A5V Y3 0.01985 0.41051 1.89873
2 2RCU BUJ 0.02156 0.40727 2.23642
3 3L8H FX1 0.04255 0.41255 2.7933
4 3E7O 35F 0.004181 0.41908 2.8754
5 2AJ4 GLA 0.02109 0.40772 3.83387
6 5AHW CMP 0.001383 0.41415 4.08163
7 5M8T 0TR 0.02477 0.40411 4.15335
8 3AB4 THR 0.01109 0.41754 4.49438
9 3G6K FAD 0.008387 0.4084 5.19481
10 3G6K POP 0.007699 0.40754 5.19481
11 4UXM BE7 0.03543 0.41072 5.30303
12 5FQK 6NT 0.01994 0.41008 5.57621
13 2OQ2 A3P 0.003531 0.40979 6.13027
14 1D1Q 4NP 0.02017 0.40792 6.21118
15 3G89 SAM 0.01394 0.40074 7.22892
16 2XG5 EC5 0.01311 0.41441 7.51445
17 2XG5 EC2 0.01311 0.41441 7.51445
18 2C2A ADP 0.007888 0.40494 7.75194
19 5TQZ GLC 0.02271 0.40466 8.66667
20 5A7C 5D4 0.02303 0.40717 9.73451
21 3QDY CBS 0.01096 0.42049 11.1888
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