Receptor
PDB id Resolution Class Description Source Keywords
2ZTG 2.2 Å EC: 6.1.1.7 CRYSTAL STRUCTURE OF ARCHAEOGLOBUS FULGIDUS ALANYL-TRNA SYNTHETASE LACKING THE C-TERMINAL DIMERIZATION DOMAIN IN C OMPLEX WITH ALA-SA ARCHAEOGLOBUS FULGIDUS CLASS-II AMINOACYL-TRNA SYNTHETASE AMINOACYL-TRNA SYNTHETASE ATP-BINDING CYTOPLASM LIGASE NUCLEOTIDE- BINDING PROTEIN BIOSYNTHESIS STRUCTURAL GENOMICS NPPSFANATIONAL PROJECT ON PROTEIN STRUCTURAL AND FUNCTIONAL ANALYSES RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE RSGI
Ref.: UNIQUE PROTEIN ARCHITECTURE OF ALANYL-TRNA SYNTHETASE FOR AMINOACYLATION, EDITING, AND DIMERIZATION. PROC.NATL.ACAD.SCI.USA V. 106 8489 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
A5A A:801;
Valid;
none;
submit data
417.398 C13 H19 N7 O7 S C[C@@...
ZN A:901;
A:902;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2ZTG 2.2 Å EC: 6.1.1.7 CRYSTAL STRUCTURE OF ARCHAEOGLOBUS FULGIDUS ALANYL-TRNA SYNTHETASE LACKING THE C-TERMINAL DIMERIZATION DOMAIN IN C OMPLEX WITH ALA-SA ARCHAEOGLOBUS FULGIDUS CLASS-II AMINOACYL-TRNA SYNTHETASE AMINOACYL-TRNA SYNTHETASE ATP-BINDING CYTOPLASM LIGASE NUCLEOTIDE- BINDING PROTEIN BIOSYNTHESIS STRUCTURAL GENOMICS NPPSFANATIONAL PROJECT ON PROTEIN STRUCTURAL AND FUNCTIONAL ANALYSES RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE RSGI
Ref.: UNIQUE PROTEIN ARCHITECTURE OF ALANYL-TRNA SYNTHETASE FOR AMINOACYLATION, EDITING, AND DIMERIZATION. PROC.NATL.ACAD.SCI.USA V. 106 8489 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2ZTG - A5A C13 H19 N7 O7 S C[C@@H](C(....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2ZTG - A5A C13 H19 N7 O7 S C[C@@H](C(....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2ZTG - A5A C13 H19 N7 O7 S C[C@@H](C(....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: A5A; Similar ligands found: 311
No: Ligand ECFP6 Tc MDL keys Tc
1 A5A 1 1
2 54H 0.851852 0.97561
3 VMS 0.851852 0.97561
4 TSB 0.841463 0.987654
5 LSS 0.821429 0.941176
6 53H 0.819277 0.963855
7 SSA 0.817073 0.940476
8 52H 0.807229 0.963855
9 5CA 0.797619 0.940476
10 DSZ 0.77907 0.940476
11 NVA LMS 0.770115 0.930233
12 NSS 0.758621 0.940476
13 GSU 0.752809 0.940476
14 KAA 0.752809 0.908046
15 G5A 0.746988 0.940476
16 YSA 0.731183 0.940476
17 5AS 0.716049 0.940476
18 8X1 0.696629 0.908046
19 WSA 0.673267 0.951807
20 8PZ 0.666667 0.940476
21 LMS 0.6625 0.975
22 P5A 0.659574 0.897727
23 5AL 0.633333 0.841463
24 B1U 0.626263 0.88764
25 4YB 0.617647 0.918605
26 8Q2 0.603774 0.908046
27 LEU LMS 0.597938 0.863636
28 SON 0.590909 0.8
29 QA7 0.589474 0.811765
30 8LH 0.585106 0.821429
31 A 0.583333 0.804878
32 AMP 0.583333 0.804878
33 ABM 0.581395 0.807229
34 45A 0.581395 0.807229
35 649 0.579439 0.897727
36 KG4 0.577778 0.809524
37 AMP MG 0.576471 0.792683
38 AHX 0.571429 0.793103
39 5CD 0.56962 0.707317
40 9ZA 0.56701 0.823529
41 8QN 0.56701 0.841463
42 9ZD 0.56701 0.823529
43 CA0 0.566667 0.809524
44 A2D 0.563218 0.807229
45 5X8 0.56044 0.714286
46 3DH 0.559524 0.722892
47 SRA 0.55814 0.831325
48 5N5 0.556962 0.698795
49 8LQ 0.556701 0.821429
50 DAL AMP 0.556701 0.819277
51 AN2 0.555556 0.819277
52 TXA 0.554455 0.821429
53 SRP 0.552083 0.8
54 AOC 0.551724 0.722892
55 XYA 0.551282 0.719512
56 RAB 0.551282 0.719512
57 ADN 0.551282 0.719512
58 BA3 0.550562 0.807229
59 A12 0.550562 0.77907
60 AP2 0.550562 0.77907
61 M33 0.549451 0.819277
62 AU1 0.549451 0.809524
63 ADX 0.549451 0.926829
64 8LE 0.547368 0.811765
65 V2G 0.547368 0.793103
66 ADP 0.544444 0.807229
67 AP5 0.544444 0.807229
68 B4P 0.544444 0.807229
69 SLU 0.543103 0.929412
70 AT4 0.538462 0.821429
71 ADP MG 0.538462 0.804878
72 ADP BEF 0.538462 0.804878
73 PRX 0.537634 0.788235
74 GAP 0.536842 0.788235
75 XAH 0.533333 0.766667
76 ADP PO3 0.531915 0.804878
77 ATP MG 0.531915 0.804878
78 SA8 0.531915 0.666667
79 A4D 0.530864 0.719512
80 EP4 0.53012 0.686047
81 PAJ 0.53 0.784091
82 AMO 0.53 0.8
83 50T 0.526882 0.776471
84 HEJ 0.526882 0.807229
85 ATP 0.526882 0.807229
86 ACP 0.526882 0.788235
87 BEF ADP 0.526316 0.785714
88 NB8 0.524272 0.793103
89 ME8 0.524272 0.786517
90 9K8 0.524272 0.804348
91 DTA 0.52381 0.73494
92 M2T 0.52381 0.709302
93 APC 0.521277 0.77907
94 5FA 0.521277 0.807229
95 APR 0.521277 0.807229
96 AR6 0.521277 0.807229
97 AQP 0.521277 0.807229
98 ANP 0.520833 0.809524
99 7MD 0.518519 0.766667
100 MTA 0.517647 0.722892
101 AD9 0.515789 0.788235
102 RBY 0.515789 0.77907
103 AGS 0.515789 0.833333
104 APC MG 0.515789 0.785714
105 ADV 0.515789 0.77907
106 4AD 0.514852 0.790698
107 LAD 0.514563 0.764045
108 H1Q 0.510638 0.795181
109 SFG 0.510638 0.682353
110 A3T 0.510638 0.743902
111 SAH 0.510417 0.697674
112 ANP MG 0.510204 0.819277
113 MAP 0.51 0.790698
114 DLL 0.509804 0.819277
115 PTJ 0.509615 0.793103
116 6RE 0.505618 0.655556
117 TAT 0.505155 0.821429
118 ACQ 0.505155 0.788235
119 T99 0.505155 0.821429
120 SAM 0.505155 0.688889
121 S7M 0.50505 0.688889
122 SMM 0.50505 0.684783
123 OOB 0.504951 0.819277
124 QXP 0.504951 0.860465
125 OAD 0.504854 0.831325
126 3UK 0.504854 0.809524
127 48N 0.504505 0.793103
128 EEM 0.5 0.652174
129 FA5 0.495327 0.8
130 FYA 0.495238 0.776471
131 3OD 0.495238 0.831325
132 1ZZ 0.495238 0.766667
133 JNT 0.495146 0.788235
134 00A 0.495146 0.781609
135 A22 0.49505 0.797619
136 ATF 0.494949 0.77907
137 ALF ADP 0.494949 0.75
138 VO4 ADP 0.494949 0.788235
139 SAI 0.494845 0.670455
140 J7C 0.494505 0.662921
141 A3N 0.494505 0.674419
142 NWW 0.493976 0.666667
143 YLP 0.491071 0.75
144 MYR AMP 0.490566 0.747253
145 9X8 0.490385 0.833333
146 25A 0.490196 0.807229
147 5SV 0.490196 0.752809
148 6YZ 0.49 0.788235
149 A3S 0.489362 0.714286
150 GJV 0.48913 0.648352
151 S4M 0.48913 0.648936
152 9SN 0.485981 0.772727
153 WAQ 0.485714 0.781609
154 PR8 0.485714 0.755556
155 B5V 0.485714 0.8
156 R2V 0.485714 0.860465
157 A1R 0.485437 0.761364
158 ADQ 0.485437 0.788235
159 0UM 0.485437 0.659341
160 HQG 0.485149 0.797619
161 MAO 0.483871 0.714286
162 NEC 0.483516 0.678571
163 DSH 0.483516 0.662921
164 B5M 0.481481 0.811765
165 B5Y 0.481481 0.811765
166 SXZ 0.481132 0.688889
167 2VA 0.479167 0.72619
168 YLC 0.478261 0.766667
169 YLB 0.478261 0.75
170 7MC 0.478261 0.769231
171 ZAS 0.477778 0.697674
172 ARG AMP 0.477477 0.72043
173 4UU 0.477477 0.790698
174 RRW 0.476636 0.906977
175 QXG 0.47619 0.850575
176 K15 0.47619 0.645161
177 ADP BMA 0.47619 0.767442
178 OZV 0.475728 0.807229
179 A7D 0.473684 0.705882
180 TAD 0.473214 0.784091
181 4UV 0.472727 0.790698
182 AMP DBH 0.472727 0.747126
183 NWQ 0.47191 0.670732
184 A3R 0.471154 0.761364
185 RUZ 0.471154 0.916667
186 F2R 0.470588 0.731183
187 TYM 0.469565 0.8
188 TXE 0.469565 0.781609
189 5AD 0.469136 0.675
190 MHZ 0.46875 0.659574
191 7C5 0.468468 0.724138
192 KMQ 0.46789 0.8
193 A3G 0.467391 0.705882
194 BIS 0.46729 0.761364
195 JB6 0.46729 0.802326
196 62X 0.466667 0.631579
197 SO8 0.464646 0.717647
198 GA7 0.464286 0.77907
199 25L 0.462963 0.797619
200 AYB 0.462185 0.741935
201 4UW 0.46087 0.784091
202 TXD 0.46087 0.781609
203 6V0 0.46087 0.772727
204 DQV 0.460177 0.819277
205 J4G 0.457944 0.790698
206 EO7 0.457447 0.928571
207 OMR 0.456897 0.758242
208 ALF ADP 3PG 0.456897 0.744444
209 AHZ 0.45614 0.766667
210 LAQ 0.45614 0.786517
211 ATP A 0.454545 0.795181
212 COD 0.454545 0.744681
213 ATP A A A 0.454545 0.795181
214 YLA 0.453782 0.731183
215 LPA AMP 0.452174 0.766667
216 KOY 0.452174 0.729412
217 N5O 0.451613 0.674419
218 3AM 0.450549 0.771084
219 VRT 0.45 0.701149
220 RSN 0.449541 0.905882
221 DND 0.448276 0.8
222 NAX 0.448276 0.755556
223 GEK 0.447619 0.712644
224 GTA 0.447368 0.766667
225 KH3 0.447368 0.638298
226 Y3J 0.447059 0.638554
227 V47 0.446602 0.710843
228 7D7 0.445783 0.654762
229 IOT 0.445378 0.723404
230 K2K 0.444444 0.637363
231 7D5 0.444444 0.732558
232 AF3 ADP 3PG 0.444444 0.744444
233 3NZ 0.444444 0.712644
234 N5A 0.442105 0.651163
235 L3W 0.440678 0.8
236 NAD TDB 0.440678 0.807229
237 NAD IBO 0.440678 0.807229
238 AP0 0.440678 0.772727
239 NVA 2AD 0.44 0.693182
240 A5D 0.44 0.73494
241 AFH 0.438596 0.744444
242 AR6 AR6 0.438596 0.785714
243 D3Y 0.438095 0.697674
244 CNA 0.438017 0.8
245 KYE 0.4375 0.638298
246 A2P 0.4375 0.792683
247 A3P 0.4375 0.804878
248 YLY 0.436508 0.741935
249 KB1 0.436364 0.641304
250 NAI 0.435897 0.781609
251 RRB 0.434783 0.905882
252 KXW 0.434783 0.648352
253 S8M 0.433962 0.712644
254 K3E 0.433628 0.681818
255 HZ2 0.431034 0.652174
256 2A5 0.43 0.747126
257 G3A 0.429825 0.772727
258 NAQ 0.429688 0.793103
259 K3K 0.428571 0.689655
260 AAT 0.427184 0.648352
261 6MZ 0.427083 0.795181
262 G5P 0.426087 0.772727
263 KY2 0.424528 0.634409
264 80F 0.424 0.75
265 A3D 0.424 0.831325
266 2AM 0.423913 0.761905
267 UP5 0.423729 0.790698
268 HY8 0.423729 0.652174
269 EU9 0.423729 0.684211
270 D4F 0.421875 0.766667
271 K38 0.419643 0.670455
272 AMP NAD 0.419355 0.797619
273 NAD 0.419355 0.819277
274 T5A 0.418033 0.75
275 V3L 0.417476 0.807229
276 NX8 0.417476 0.637363
277 6IA 0.417476 0.725275
278 594 0.417323 0.821053
279 KYB 0.416667 0.634409
280 4TC 0.416667 0.772727
281 UPA 0.416667 0.781609
282 BT5 0.416 0.741935
283 N0B 0.415385 0.731183
284 U4Y 0.415254 0.693182
285 PPS 0.413462 0.903614
286 A4P 0.413223 0.715789
287 K2H 0.412844 0.670455
288 7D3 0.412371 0.735632
289 PAP 0.411765 0.795181
290 ATR 0.411765 0.783133
291 FB0 0.411765 0.704082
292 NAE 0.410853 0.811765
293 OVE 0.410526 0.776471
294 7D4 0.41 0.735632
295 2SA 0.409524 0.77907
296 NAJ PZO 0.409449 0.772727
297 3AD 0.409091 0.707317
298 A6D 0.409091 0.7
299 4TA 0.408 0.73913
300 ADJ 0.406504 0.72043
301 139 0.406504 0.755556
302 Q34 0.404959 0.621053
303 Q2M 0.404959 0.652174
304 DZD 0.404762 0.764045
305 OZP 0.403361 0.666667
306 BS5 0.403226 0.787234
307 67D 0.403226 0.896552
308 IMO 0.402062 0.771084
309 NWZ 0.401961 0.626374
310 A2R 0.401869 0.797619
311 K2W 0.4 0.641304
Similar Ligands (3D)
Ligand no: 1; Ligand: A5A; Similar ligands found: 16
No: Ligand Similarity coefficient
1 GDP 0.9126
2 FZQ 0.9080
3 KB7 0.9030
4 FZT 0.8965
5 FZK 0.8948
6 M7G 0.8810
7 UDP 0.8754
8 DGI 0.8740
9 GCP 0.8717
10 GDP MG 0.8709
11 GNH 0.8671
12 DTP 0.8669
13 GNP 0.8651
14 GTP 0.8614
15 IMP 0.8562
16 5GP 0.8547
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2ZTG; Ligand: A5A; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 2ztg.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 3NEM ATP 1.82648
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