Receptor
PDB id Resolution Class Description Source Keywords
2PID 2.2 Å EC: 6.1.1.1 CRYSTAL STRUCTURE OF HUMAN MITOCHONDRIAL TYROSYL-TRNA SYNTHE COMPLEX WITH AN ADENYLATE ANALOG HOMO SAPIENS AMINOACYL-TRNA SYNTHETASE PROTEIN-SUBSTRATE COMPLEX ATP-BILIGASE MITOCHONDRION NUCLEOTIDE-BINDING PROTEIN BIOSYNTH
Ref.: CRYSTAL STRUCTURE OF HUMAN MITOCHONDRIAL TYROSYL-TR SYNTHETASE REVEALS COMMON AND IDIOSYNCRATIC FEATURE STRUCTURE V. 15 1505 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
YSA A:384;
B:384;
Valid;
Valid;
none;
none;
submit data
509.493 C19 H23 N7 O8 S c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2PID 2.2 Å EC: 6.1.1.1 CRYSTAL STRUCTURE OF HUMAN MITOCHONDRIAL TYROSYL-TRNA SYNTHE COMPLEX WITH AN ADENYLATE ANALOG HOMO SAPIENS AMINOACYL-TRNA SYNTHETASE PROTEIN-SUBSTRATE COMPLEX ATP-BILIGASE MITOCHONDRION NUCLEOTIDE-BINDING PROTEIN BIOSYNTH
Ref.: CRYSTAL STRUCTURE OF HUMAN MITOCHONDRIAL TYROSYL-TR SYNTHETASE REVEALS COMMON AND IDIOSYNCRATIC FEATURE STRUCTURE V. 15 1505 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 2PID - YSA C19 H23 N7 O8 S c1cc(ccc1C....
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 2PID - YSA C19 H23 N7 O8 S c1cc(ccc1C....
50% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1WQ4 - TYR C9 H11 N O3 c1cc(ccc1C....
2 2YXN - AZY C9 H10 N4 O3 c1cc(c(cc1....
3 1WQ3 - IYR C9 H10 I N O3 c1cc(c(cc1....
4 1X8X - TYR C9 H11 N O3 c1cc(ccc1C....
5 1Y42 - TYR C9 H11 N O3 c1cc(ccc1C....
6 6HB7 - Y3U C19 H24 N4 O10 S CN1C(=O)C=....
7 6HB6 - YSU C18 H22 N4 O10 S c1cc(ccc1C....
8 6HB5 - YSC C18 H23 N5 O9 S c1cc(ccc1C....
9 6I5Y - YSA C19 H23 N7 O8 S c1cc(ccc1C....
10 1JIL ic50 = 4 nM 485 C17 H24 N2 O8 C[C@@H]1[C....
11 2PID - YSA C19 H23 N7 O8 S c1cc(ccc1C....
12 1TYB - TYR C9 H11 N O3 c1cc(ccc1C....
13 4TS1 Kd = 11.6 uM TYR C9 H11 N O3 c1cc(ccc1C....
14 1TYD - TYR C9 H11 N O3 c1cc(ccc1C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: YSA; Similar ligands found: 236
No: Ligand ECFP6 Tc MDL keys Tc
1 YSA 1 1
2 SSA 0.76087 0.952941
3 5CA 0.744681 0.952941
4 A5A 0.731183 0.940476
5 DSZ 0.729167 0.952941
6 LSS 0.729167 0.931035
7 GSU 0.72449 0.952941
8 KAA 0.707071 0.920455
9 WSA 0.700935 0.987952
10 54H 0.697917 0.918605
11 VMS 0.697917 0.918605
12 53H 0.690722 0.908046
13 TSB 0.690722 0.929412
14 52H 0.680412 0.908046
15 NSS 0.66 0.952941
16 NVA LMS 0.653465 0.920455
17 LEU LMS 0.647059 0.920455
18 G5A 0.645833 0.952941
19 YAP 0.632075 0.847059
20 D3Y 0.607843 0.752941
21 8X1 0.607843 0.920455
22 8PZ 0.601852 0.97619
23 5AS 0.6 0.886364
24 B1U 0.581818 0.879121
25 P5A 0.579439 0.910112
26 8Q2 0.577586 0.965116
27 LMS 0.569892 0.939759
28 TYR AMP 0.5625 0.825581
29 4YB 0.561404 0.953488
30 649 0.555556 0.954023
31 AHX 0.53211 0.806818
32 FA5 0.530973 0.835294
33 SON 0.53 0.793103
34 CA0 0.524752 0.781609
35 5AL 0.52381 0.790698
36 SLU 0.52381 0.94186
37 3NZ 0.522523 0.747126
38 AMP 0.520833 0.776471
39 A 0.520833 0.776471
40 5X8 0.519608 0.729412
41 SRP 0.514019 0.813953
42 A2D 0.50505 0.8
43 45A 0.50505 0.758621
44 ABM 0.50505 0.758621
45 KG4 0.504854 0.781609
46 DLL 0.504505 0.811765
47 FYA 0.504425 0.811765
48 AN2 0.5 0.790698
49 XAH 0.5 0.78022
50 SRA 0.5 0.802326
51 AMO 0.495495 0.813953
52 AU1 0.495146 0.781609
53 ADX 0.495146 0.894118
54 BA3 0.49505 0.8
55 A12 0.49505 0.772727
56 AP2 0.49505 0.772727
57 AOC 0.494949 0.697674
58 NB8 0.491228 0.806818
59 8LQ 0.490909 0.793103
60 AP5 0.490196 0.8
61 B4P 0.490196 0.8
62 ADP 0.490196 0.77907
63 5CD 0.48913 0.682353
64 7MD 0.487395 0.78022
65 9ZA 0.486486 0.775281
66 8QN 0.486486 0.790698
67 9ZD 0.486486 0.775281
68 8LH 0.486239 0.772727
69 GAP 0.485981 0.761364
70 AT4 0.485437 0.793103
71 ADP MG 0.485437 0.776471
72 LAD 0.482456 0.777778
73 YSC 0.482456 0.886364
74 WAQ 0.482456 0.775281
75 8LE 0.481481 0.764045
76 M33 0.480769 0.770115
77 5N5 0.478261 0.674419
78 TXA 0.478261 0.772727
79 ME8 0.478261 0.78022
80 MAP 0.477477 0.764045
81 DAL AMP 0.477477 0.770115
82 SAH 0.476636 0.712644
83 SFG 0.47619 0.697674
84 50T 0.47619 0.75
85 ACP 0.47619 0.781609
86 HEJ 0.47619 0.77907
87 ATP 0.47619 0.77907
88 3UK 0.473684 0.802326
89 OOB 0.473214 0.811765
90 RAB 0.472527 0.694118
91 XYA 0.472527 0.694118
92 ADN 0.472527 0.694118
93 ANP 0.472222 0.781609
94 APR 0.471698 0.77907
95 AQP 0.471698 0.77907
96 AR6 0.471698 0.77907
97 APC 0.471698 0.772727
98 5FA 0.471698 0.77907
99 PRX 0.471698 0.741573
100 9SN 0.470085 0.766667
101 B5V 0.469565 0.813953
102 3DH 0.469388 0.678161
103 PAJ 0.469027 0.73913
104 4AD 0.469027 0.804598
105 TYM 0.467742 0.835294
106 AD9 0.46729 0.761364
107 ADV 0.46729 0.772727
108 SAP 0.46729 0.804598
109 RBY 0.46729 0.772727
110 SA8 0.46729 0.663043
111 APC MG 0.46729 0.758621
112 ATP MG 0.46729 0.776471
113 ADP PO3 0.46729 0.776471
114 AGS 0.46729 0.804598
115 B5Y 0.466102 0.804598
116 9K8 0.465517 0.778947
117 1ZZ 0.465517 0.723404
118 00A 0.464912 0.775281
119 7MC 0.464 0.763441
120 H1Q 0.462264 0.767442
121 YSU 0.46087 0.895349
122 SMM 0.459459 0.680851
123 S7M 0.459459 0.684783
124 SAM 0.458716 0.684783
125 TAT 0.458716 0.793103
126 T99 0.458716 0.793103
127 ACQ 0.458716 0.781609
128 AMP DBH 0.458333 0.761364
129 A4D 0.457447 0.694118
130 A3S 0.457143 0.729412
131 Y3U 0.456897 0.875
132 J4G 0.456897 0.804598
133 ADQ 0.45614 0.781609
134 6RE 0.455446 0.67033
135 B5M 0.453782 0.804598
136 DTA 0.453608 0.729412
137 M2T 0.453608 0.666667
138 PTJ 0.452991 0.747253
139 YLB 0.452381 0.744681
140 YLC 0.452381 0.76087
141 YLP 0.451613 0.744681
142 A22 0.451327 0.790698
143 ATF 0.45045 0.752809
144 ALF ADP 0.45045 0.725275
145 ADP ALF 0.45045 0.725275
146 SAI 0.449541 0.685393
147 MYR AMP 0.449153 0.705263
148 KB1 0.449153 0.673913
149 OAD 0.448276 0.781609
150 ADP BMA 0.448276 0.761364
151 OZV 0.447368 0.77907
152 25A 0.447368 0.8
153 J7C 0.446602 0.677778
154 A3N 0.446602 0.651685
155 VO4 ADP 0.446429 0.770115
156 ADP VO4 0.446429 0.770115
157 6YZ 0.446429 0.781609
158 PR8 0.444444 0.769231
159 LAQ 0.443548 0.76087
160 A1R 0.443478 0.775281
161 0UM 0.443478 0.655914
162 EP4 0.443299 0.644444
163 HQG 0.442478 0.770115
164 EEM 0.441441 0.648936
165 3OD 0.440678 0.781609
166 KOY 0.44 0.744186
167 48N 0.44 0.766667
168 ARG AMP 0.439024 0.734043
169 4UU 0.439024 0.784091
170 NXX 0.436508 0.793103
171 DND 0.436508 0.793103
172 9X8 0.435897 0.784091
173 A3T 0.435185 0.697674
174 F2R 0.435115 0.744681
175 5SV 0.434783 0.709677
176 MTA 0.434343 0.678161
177 IOT 0.434109 0.736842
178 A A 0.432203 0.77907
179 A3R 0.431034 0.775281
180 7C5 0.430894 0.719101
181 YLA 0.430769 0.744681
182 A7D 0.429907 0.701149
183 GJV 0.428571 0.663043
184 LPA AMP 0.428571 0.741935
185 S4M 0.428571 0.645833
186 BIS 0.428571 0.736264
187 JB6 0.428571 0.816092
188 AYB 0.427481 0.736842
189 GA7 0.427419 0.772727
190 80F 0.425373 0.782609
191 NAX 0.425197 0.788889
192 25L 0.425 0.790698
193 DQV 0.424 0.811765
194 TAD 0.424 0.777778
195 K15 0.423729 0.642105
196 VRT 0.423423 0.696629
197 A3G 0.423077 0.72093
198 DSH 0.423077 0.677778
199 4UV 0.422764 0.784091
200 TXE 0.421875 0.775281
201 OMR 0.421875 0.715789
202 COD 0.421053 0.739583
203 ATP A A A 0.418033 0.788235
204 ATP A 0.418033 0.788235
205 ZAS 0.417476 0.693182
206 SXZ 0.416667 0.684783
207 67D 0.416667 0.931035
208 YLY 0.416058 0.736842
209 62X 0.415254 0.628866
210 EO7 0.415094 0.896552
211 A5D 0.414414 0.729412
212 NAI 0.414062 0.775281
213 6V0 0.414062 0.766667
214 TXD 0.414062 0.775281
215 MHZ 0.412844 0.65625
216 MAO 0.411215 0.709677
217 A3P 0.411215 0.776471
218 AF3 ADP 3PG 0.410853 0.73913
219 AMP NAD 0.410448 0.790698
220 NAD 0.410448 0.811765
221 GEK 0.410256 0.727273
222 NEC 0.409524 0.636364
223 AHZ 0.409449 0.723404
224 2VA 0.409091 0.681818
225 3AM 0.407767 0.744186
226 BT5 0.407407 0.755319
227 CNA 0.406015 0.813953
228 AFH 0.404762 0.758242
229 AR6 AR6 0.404762 0.77907
230 A3D 0.404412 0.802326
231 5AD 0.404255 0.630952
232 4UW 0.403101 0.758242
233 7D5 0.401961 0.707865
234 GTA 0.401575 0.741935
235 NAQ 0.4 0.766667
236 N37 0.4 0.704545
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2PID; Ligand: YSA; 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: 2pid.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2PID; Ligand: YSA; 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: 2pid.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback