Receptor
PDB id Resolution Class Description Source Keywords
6LPF 2.49 Å EC: 6.1.1.4 THE CRYSTAL STRUCTURE OF HUMAN CYTOPLASMIC LRS HOMO SAPIENS TRNA AMINOACYLATION PROTEIN TRANSLATION LEURS RNA BINDIN
Ref.: MOLECULAR BASIS OF THE MULTIFACETED FUNCTIONS OF HU LEUCYL-TRNA SYNTHETASE IN PROTEIN SYNTHESIS AND BEY NUCLEIC ACIDS RES. V. 48 4946 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
VRT B:1103;
 Valid;
 none;
 submit data
365.388 C15 H23 N7 O4 CCCC(...
LSS B:1101;
A:1200;
 Valid;
Valid;
 none;
none;
 submit data
459.477 C16 H25 N7 O7 S CC(C)...
GOL B:1102;
 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
6LPF 2.49 Å EC: 6.1.1.4 THE CRYSTAL STRUCTURE OF HUMAN CYTOPLASMIC LRS HOMO SAPIENS TRNA AMINOACYLATION PROTEIN TRANSLATION LEURS RNA BINDIN
Ref.: MOLECULAR BASIS OF THE MULTIFACETED FUNCTIONS OF HU LEUCYL-TRNA SYNTHETASE IN PROTEIN SYNTHESIS AND BEY NUCLEIC ACIDS RES. V. 48 4946 2020
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 6LPF - LSS C16 H25 N7 O7 S CC(C)C[C@@....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 6LPF - LSS C16 H25 N7 O7 S CC(C)C[C@@....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 6LPF - LSS C16 H25 N7 O7 S CC(C)C[C@@....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: VRT; Similar ligands found: 155
No: Ligand ECFP6 Tc MDL keys Tc
1 VRT 1 1
2 NVA 2AD 0.78481 0.985507
3 2VA 0.7375 0.9
4 SO8 0.731707 0.942029
5 A3S 0.574713 0.941176
6 A3T 0.544444 0.926471
7 J4G 0.53 0.797468
8 D3Y 0.510204 0.914286
9 3NZ 0.5 0.902778
10 A3G 0.5 0.927536
11 XYA 0.493671 0.897059
12 ADN 0.493671 0.897059
13 RAB 0.493671 0.897059
14 0UM 0.485149 0.90411
15 SA8 0.484211 0.864865
16 7D7 0.481013 0.788732
17 NVA LMS 0.480392 0.75
18 SAH 0.479167 0.861111
19 5X8 0.478723 0.859155
20 7D5 0.476744 0.7125
21 S7M 0.474747 0.842105
22 3DH 0.471264 0.84507
23 2AM 0.471264 0.766234
24 LSS 0.470588 0.719101
25 NEC 0.466667 0.869565
26 SFG 0.463158 0.871429
27 J7C 0.461538 0.837838
28 SSA 0.46 0.735632
29 SAM 0.459184 0.842105
30 NWW 0.457831 0.808824
31 5CD 0.457831 0.828571
32 KAA 0.457143 0.711111
33 GSU 0.457143 0.715909
34 6RE 0.455556 0.826667
35 EEM 0.454545 0.842105
36 DTA 0.453488 0.783784
37 A2P 0.451613 0.730769
38 5CA 0.45098 0.735632
39 A5A 0.45 0.701149
40 3AM 0.449438 0.753247
41 SAI 0.44898 0.849315
42 MTA 0.448276 0.84507
43 K15 0.447619 0.855263
44 5N5 0.445783 0.869565
45 SMM 0.445545 0.810127
46 AMP 0.444444 0.766234
47 A 0.444444 0.766234
48 DSZ 0.442308 0.715909
49 AN2 0.442105 0.759494
50 EP4 0.44186 0.821918
51 54H 0.441176 0.685393
52 VMS 0.441176 0.685393
53 7D3 0.44086 0.716049
54 GJV 0.44086 0.815789
55 A4D 0.440476 0.869565
56 5AL 0.44 0.782051
57 OVE 0.43956 0.7375
58 ME8 0.439252 0.792683
59 NWQ 0.438202 0.811594
60 AHX 0.438095 0.8
61 TSB 0.436893 0.712644
62 QA7 0.436893 0.775
63 53H 0.436893 0.677778
64 M2T 0.436782 0.8
65 XAH 0.436364 0.771084
66 A3P 0.43617 0.74359
67 8QN 0.432692 0.782051
68 5AD 0.432099 0.794118
69 5AS 0.431579 0.696629
70 SRP 0.431373 0.807692
71 45A 0.430108 0.769231
72 ABM 0.430108 0.769231
73 V3L 0.43 0.746835
74 PRX 0.428571 0.818182
75 0XU 0.428571 0.84507
76 52H 0.427184 0.677778
77 A7D 0.427083 0.873239
78 NB8 0.425926 0.777778
79 SXZ 0.425926 0.842105
80 V2G 0.425743 0.756098
81 PPS 0.425743 0.678161
82 62X 0.424528 0.810127
83 ATR 0.424242 0.74359
84 AMP MG 0.423913 0.776316
85 3AD 0.423529 0.882353
86 3L1 0.423529 0.871429
87 3D1 0.423529 0.871429
88 YSA 0.423423 0.696629
89 ADX 0.42268 0.697674
90 CA0 0.42268 0.772152
91 7D4 0.42268 0.716049
92 HY8 0.422414 0.866667
93 KH3 0.421053 0.868421
94 N5O 0.419355 0.913043
95 9ZA 0.419048 0.743902
96 GEK 0.419048 0.826667
97 9ZD 0.419048 0.743902
98 KG4 0.418367 0.772152
99 8LH 0.417476 0.807692
100 HZ2 0.417391 0.866667
101 ADP 0.416667 0.769231
102 LAD 0.416667 0.790123
103 KL2 0.41573 0.717949
104 YLB 0.415254 0.817073
105 AMO 0.415094 0.807692
106 NSS 0.415094 0.715909
107 A2D 0.414894 0.769231
108 2A5 0.414141 0.772152
109 YLP 0.413793 0.795181
110 LMS 0.413043 0.678161
111 ACK 0.413043 0.736842
112 QQY 0.413043 0.7
113 1ZZ 0.412844 0.771084
114 SON 0.412371 0.7625
115 Y3J 0.411765 0.746479
116 8LE 0.411765 0.753086
117 KYE 0.410714 0.797468
118 N5A 0.410526 0.884058
119 S4M 0.410526 0.810127
120 PAP 0.41 0.75641
121 8LQ 0.409524 0.807692
122 DAL AMP 0.409524 0.782051
123 KB1 0.409091 0.805195
124 MYR AMP 0.409091 0.771084
125 SRA 0.408602 0.728395
126 AU1 0.408163 0.75
127 M33 0.408163 0.782051
128 MHZ 0.408163 0.8
129 WSA 0.40678 0.704545
130 A12 0.40625 0.7625
131 BA3 0.40625 0.769231
132 AP2 0.40625 0.7625
133 MAO 0.40625 0.8
134 G5A 0.405941 0.715909
135 DSH 0.404255 0.837838
136 HEJ 0.40404 0.769231
137 ATP 0.40404 0.769231
138 WAQ 0.40367 0.765432
139 YLC 0.403361 0.792683
140 QQX 0.402174 0.691358
141 B4P 0.402062 0.769231
142 AP5 0.402062 0.769231
143 GAP 0.401961 0.772152
144 PAJ 0.401869 0.790123
145 4AD 0.401869 0.797468
146 AYB 0.401639 0.807229
147 AQP 0.4 0.769231
148 APC 0.4 0.7625
149 A2R 0.4 0.759494
150 7MD 0.4 0.792683
151 ARG AMP 0.4 0.761905
152 A3N 0.4 0.833333
153 TXA 0.4 0.78481
154 5FA 0.4 0.769231
155 PTJ 0.4 0.756098
Ligand no: 2; Ligand: LSS; Similar ligands found: 295
No: Ligand ECFP6 Tc MDL keys Tc
1 LSS 1 1
2 SSA 0.833333 0.931035
3 A5A 0.821429 0.941176
4 5CA 0.813953 0.931035
5 54H 0.802326 0.964706
6 VMS 0.802326 0.964706
7 DSZ 0.795455 0.931035
8 TSB 0.793103 0.930233
9 53H 0.772727 0.953488
10 GSU 0.769231 0.931035
11 KAA 0.769231 0.9
12 52H 0.761364 0.953488
13 YSA 0.729167 0.931035
14 NVA LMS 0.728261 0.943182
15 NSS 0.717391 0.931035
16 G5A 0.704545 0.931035
17 WSA 0.68932 0.94186
18 5AS 0.674419 0.88764
19 8X1 0.659574 0.9
20 8PZ 0.65 0.931035
21 P5A 0.626263 0.89011
22 LMS 0.623529 0.917647
23 LEU LMS 0.616162 0.920455
24 RRW 0.598039 0.965116
25 B1U 0.596154 0.840426
26 8Q2 0.590909 0.9
27 5AL 0.583333 0.793103
28 QA7 0.575758 0.827586
29 4YB 0.574074 0.910112
30 649 0.567568 0.89011
31 45A 0.566667 0.761364
32 ABM 0.566667 0.761364
33 SON 0.55914 0.775281
34 AHX 0.558824 0.788889
35 AMP 0.550562 0.758621
36 A 0.550562 0.758621
37 5X8 0.547368 0.712644
38 AMP MG 0.544444 0.747126
39 SRP 0.54 0.795455
40 8LH 0.54 0.795455
41 9ZD 0.539216 0.797753
42 8QN 0.539216 0.793103
43 9ZA 0.539216 0.797753
44 M33 0.536842 0.772727
45 CA0 0.536842 0.764045
46 XYA 0.536585 0.678161
47 ADN 0.536585 0.678161
48 RAB 0.536585 0.678161
49 A2D 0.532609 0.761364
50 KG4 0.53125 0.764045
51 DAL AMP 0.529412 0.772727
52 8LQ 0.529412 0.816092
53 TXA 0.528302 0.775281
54 3DH 0.52809 0.681818
55 SRA 0.527473 0.784091
56 AN2 0.526316 0.772727
57 XAH 0.522936 0.763441
58 AOC 0.521739 0.681818
59 BA3 0.521277 0.761364
60 A12 0.521277 0.755556
61 AP2 0.521277 0.755556
62 AU1 0.520833 0.764045
63 ADX 0.520833 0.873563
64 SLU 0.520661 0.877778
65 SA8 0.520408 0.684783
66 V2G 0.52 0.769231
67 8LE 0.52 0.806818
68 AMO 0.519231 0.795455
69 5CD 0.517647 0.666667
70 AP5 0.515789 0.761364
71 ADP 0.515789 0.761364
72 B4P 0.515789 0.761364
73 SAH 0.515152 0.696629
74 NB8 0.514019 0.788889
75 ME8 0.514019 0.802198
76 AT4 0.510417 0.775281
77 ADP BEF 0.510417 0.758621
78 ADP MG 0.510417 0.758621
79 PRX 0.510204 0.764045
80 GAP 0.51 0.744444
81 5N5 0.505882 0.659091
82 PAJ 0.504762 0.8
83 LAD 0.504673 0.76087
84 HEJ 0.5 0.761364
85 SFG 0.5 0.681818
86 ATP 0.5 0.761364
87 50T 0.5 0.733333
88 ACP 0.5 0.764045
89 A4D 0.5 0.678161
90 EP4 0.5 0.704545
91 9K8 0.5 0.762887
92 7MD 0.495575 0.763441
93 SMM 0.495146 0.72043
94 S7M 0.495146 0.688172
95 ANP 0.49505 0.764045
96 SAM 0.49505 0.706522
97 AQP 0.494949 0.761364
98 APR 0.494949 0.761364
99 APC 0.494949 0.755556
100 AR6 0.494949 0.761364
101 5FA 0.494949 0.761364
102 A3S 0.494845 0.712644
103 6RE 0.494624 0.655914
104 M2T 0.494382 0.727273
105 DTA 0.494382 0.693182
106 4AD 0.490566 0.786517
107 RUZ 0.490566 0.908046
108 EEM 0.490196 0.670213
109 RBY 0.49 0.755556
110 AGS 0.49 0.786517
111 AD9 0.49 0.744444
112 ATP MG 0.49 0.758621
113 ADP PO3 0.49 0.758621
114 ADV 0.49 0.755556
115 APC MG 0.49 0.741573
116 MTA 0.488889 0.701149
117 FA5 0.486486 0.795455
118 SXZ 0.486239 0.744444
119 PTJ 0.486239 0.808989
120 DLL 0.485981 0.772727
121 ATF 0.485437 0.736264
122 ANP MG 0.485437 0.772727
123 SAI 0.485149 0.67033
124 BEF ADP 0.485149 0.741573
125 H1Q 0.484848 0.75
126 A3T 0.484848 0.701149
127 48N 0.482759 0.769231
128 YLP 0.482759 0.747368
129 OAD 0.481481 0.784091
130 3UK 0.481481 0.764045
131 QXP 0.481132 0.813187
132 OOB 0.481132 0.772727
133 ACQ 0.480392 0.764045
134 T99 0.480392 0.775281
135 TAT 0.480392 0.775281
136 GJV 0.479167 0.648936
137 J4G 0.477064 0.786517
138 WAQ 0.477064 0.758242
139 0UM 0.476636 0.677419
140 ADQ 0.476636 0.744444
141 HQG 0.47619 0.752809
142 TYM 0.474576 0.795455
143 B5M 0.473214 0.766667
144 1ZZ 0.472727 0.744681
145 3OD 0.472727 0.784091
146 FYA 0.472727 0.772727
147 00A 0.472222 0.73913
148 JNT 0.472222 0.764045
149 A22 0.471698 0.752809
150 MAP 0.471698 0.747253
151 ALF ADP 0.471154 0.709677
152 VO4 ADP 0.471154 0.744444
153 YLB 0.470588 0.765957
154 VRT 0.470588 0.719101
155 YLC 0.470588 0.763441
156 ARG AMP 0.469565 0.71875
157 J7C 0.46875 0.663043
158 A3N 0.46875 0.637363
159 RSN 0.468468 0.897727
160 MYR AMP 0.468468 0.726316
161 ADP BMA 0.46789 0.725275
162 9X8 0.46789 0.786517
163 QXG 0.46789 0.804348
164 K15 0.46789 0.663158
165 5SV 0.46729 0.731183
166 25A 0.46729 0.761364
167 6YZ 0.466667 0.764045
168 NWW 0.465909 0.627907
169 A7D 0.464646 0.685393
170 9SN 0.464286 0.731183
171 S4M 0.463918 0.666667
172 B5V 0.463636 0.755556
173 PR8 0.463636 0.752688
174 F2R 0.463415 0.729167
175 A1R 0.462963 0.758242
176 B5Y 0.460177 0.766667
177 MHZ 0.46 0.677083
178 MAO 0.459184 0.731183
179 62X 0.458716 0.684211
180 NEC 0.458333 0.640449
181 DSH 0.458333 0.663043
182 7MC 0.458333 0.765957
183 2VA 0.455446 0.724138
184 AYB 0.455285 0.757895
185 OZV 0.453704 0.761364
186 DQV 0.452991 0.772727
187 TAD 0.452991 0.76087
188 HQ5 0.45283 0.877778
189 ZAS 0.452632 0.677778
190 AMP DBH 0.452174 0.706522
191 OVK 0.451327 0.888889
192 3NZ 0.45045 0.711111
193 R2V 0.45045 0.813187
194 A3R 0.449541 0.758242
195 7C5 0.448276 0.684783
196 KMQ 0.447368 0.755556
197 YLA 0.447154 0.729167
198 NWQ 0.446809 0.632184
199 BIS 0.446429 0.72043
200 JB6 0.446429 0.777778
201 AP0 0.446281 0.731183
202 GA7 0.444444 0.775281
203 D3Y 0.444444 0.696629
204 A3G 0.443299 0.704545
205 25L 0.442478 0.752809
206 SO8 0.442308 0.715909
207 5AD 0.44186 0.635294
208 6V0 0.441667 0.731183
209 HY8 0.441667 0.652632
210 KXW 0.440678 0.648936
211 RRB 0.440678 0.897727
212 S8M 0.440367 0.711111
213 4UV 0.439655 0.747253
214 IOT 0.439024 0.721649
215 TXE 0.438017 0.73913
216 ALF ADP 3PG 0.438017 0.723404
217 OMR 0.438017 0.736842
218 K2K 0.4375 0.638298
219 HZ2 0.436975 0.652632
220 AHZ 0.436975 0.726316
221 LAQ 0.436975 0.744681
222 COD 0.436508 0.797872
223 K3K 0.434783 0.652174
224 NAD IBO 0.434426 0.761364
225 NAD TDB 0.434426 0.761364
226 EO7 0.434343 0.876405
227 LPA AMP 0.433333 0.726316
228 KOY 0.433333 0.688889
229 4UU 0.432203 0.747253
230 AR6 AR6 0.432203 0.741573
231 CNA 0.432 0.775281
232 KYE 0.431034 0.639175
233 YLY 0.430769 0.757895
234 LSU 0.429907 0.886364
235 KB1 0.429825 0.642105
236 NAI 0.429752 0.73913
237 DND 0.429752 0.755556
238 4UW 0.429752 0.741935
239 TXD 0.429752 0.73913
240 NAX 0.429752 0.752688
241 80F 0.429688 0.747368
242 N5O 0.428571 0.674157
243 GTA 0.428571 0.726316
244 KH3 0.428571 0.65625
245 GEK 0.427273 0.711111
246 3AM 0.427083 0.727273
247 AF3 ADP 3PG 0.42623 0.723404
248 V47 0.425926 0.670455
249 L3U 0.425926 0.876405
250 L3W 0.422764 0.755556
251 ATP A A A 0.422414 0.75
252 ATP A 0.422414 0.75
253 Y3J 0.422222 0.602273
254 7D5 0.421053 0.692308
255 N0B 0.421053 0.729167
256 7D7 0.420455 0.617977
257 AFH 0.420168 0.723404
258 N5A 0.42 0.651685
259 A5D 0.419048 0.693182
260 NVA 2AD 0.419048 0.711111
261 KY2 0.418182 0.635417
262 EU9 0.418033 0.683673
263 A2P 0.415842 0.747126
264 A3P 0.415842 0.758621
265 K3E 0.415254 0.645161
266 NAD 0.414062 0.772727
267 NAQ 0.413534 0.769231
268 594 0.412214 0.816327
269 G3A 0.411765 0.731183
270 V3L 0.411215 0.761364
271 NX8 0.411215 0.638298
272 6IA 0.411215 0.78022
273 OZP 0.409836 0.666667
274 U4Y 0.409836 0.692308
275 G5P 0.408333 0.731183
276 A3D 0.407692 0.784091
277 AAT 0.407407 0.648936
278 K2H 0.40708 0.652174
279 K2W 0.40678 0.642105
280 UP5 0.406504 0.747253
281 6MZ 0.405941 0.75
282 NAJ PZO 0.40458 0.731183
283 A6D 0.403509 0.663158
284 N37 0.403226 0.67033
285 AMP NAD 0.403101 0.752809
286 2AM 0.402062 0.719101
287 K38 0.401709 0.634409
288 T5A 0.401575 0.747368
289 4TC 0.4 0.75
290 F0P 0.4 0.666667
291 DZD 0.4 0.741935
292 BT5 0.4 0.739583
293 Q2M 0.4 0.652632
294 UPA 0.4 0.73913
295 Q34 0.4 0.622449
Similar Ligands (3D)
Ligand no: 1; Ligand: VRT; Similar ligands found: 0
No: Ligand Similarity coefficient
Ligand no: 2; Ligand: LSS; Similar ligands found: 4
No: Ligand Similarity coefficient
1 MOD 0.9383
2 MSP 0.9359
3 GDP 0.8640
4 C2G 0.8575
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6LPF; Ligand: VRT; 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: 6lpf.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6LPF; Ligand: LSS; 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: 6lpf.bio2) has 27 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 6LPF; Ligand: LSS; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 6lpf.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
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