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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
Ligand no: 1; Ligand: A5A; Similar ligands found: 258
No: Ligand ECFP6 Tc MDL keys Tc
1 A5A 1 1
2 VMS 0.851852 0.97561
3 54H 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 LEU LMS 0.781609 0.930233
11 DSZ 0.77907 0.940476
12 NVA LMS 0.770115 0.930233
13 NSS 0.758621 0.940476
14 KAA 0.752809 0.908046
15 GSU 0.752809 0.940476
16 G5A 0.746988 0.940476
17 YSA 0.731183 0.940476
18 5AS 0.716049 0.940476
19 8X1 0.696629 0.908046
20 WSA 0.673267 0.951807
21 8PZ 0.666667 0.940476
22 LMS 0.6625 0.975
23 P5A 0.659574 0.897727
24 5AL 0.633333 0.841463
25 4YB 0.617647 0.918605
26 8Q2 0.603774 0.908046
27 SON 0.590909 0.8
28 A 0.583333 0.804878
29 AMP 0.583333 0.804878
30 ABM 0.581395 0.807229
31 649 0.579439 0.897727
32 AHX 0.571429 0.793103
33 5CD 0.56962 0.707317
34 8QN 0.56701 0.841463
35 9ZA 0.56701 0.823529
36 9ZD 0.56701 0.823529
37 CA0 0.566667 0.809524
38 A2D 0.563218 0.807229
39 5X8 0.56044 0.714286
40 3DH 0.559524 0.722892
41 SRA 0.55814 0.831325
42 5N5 0.556962 0.698795
43 DAL AMP 0.556701 0.819277
44 AN2 0.555556 0.819277
45 TXA 0.554455 0.821429
46 SRP 0.552083 0.8
47 AOC 0.551724 0.722892
48 XYA 0.551282 0.719512
49 ADN 0.551282 0.719512
50 RAB 0.551282 0.719512
51 A12 0.550562 0.77907
52 BA3 0.550562 0.807229
53 AP2 0.550562 0.77907
54 ADX 0.549451 0.926829
55 M33 0.549451 0.819277
56 AU1 0.549451 0.809524
57 ADP 0.544444 0.807229
58 B4P 0.544444 0.807229
59 AP5 0.544444 0.807229
60 SLU 0.543103 0.929412
61 AT4 0.538462 0.821429
62 PRX 0.537634 0.788235
63 GAP 0.536842 0.788235
64 XAH 0.533333 0.766667
65 SA8 0.531915 0.666667
66 ADP PO3 0.531915 0.804878
67 A4D 0.530864 0.719512
68 EP4 0.53012 0.686047
69 PAJ 0.53 0.784091
70 AMO 0.53 0.8
71 50T 0.526882 0.776471
72 ACP 0.526882 0.788235
73 HEJ 0.526882 0.807229
74 ATP 0.526882 0.807229
75 ME8 0.524272 0.786517
76 NB8 0.524272 0.793103
77 9K8 0.524272 0.804348
78 M2T 0.52381 0.709302
79 DTA 0.52381 0.73494
80 5FA 0.521277 0.807229
81 AQP 0.521277 0.807229
82 APC 0.521277 0.77907
83 APR 0.521277 0.807229
84 AR6 0.521277 0.807229
85 ANP 0.520833 0.809524
86 7MD 0.518519 0.766667
87 MTA 0.517647 0.722892
88 AD9 0.515789 0.788235
89 AGS 0.515789 0.833333
90 ADV 0.515789 0.77907
91 RBY 0.515789 0.77907
92 SAP 0.515789 0.833333
93 4AD 0.514852 0.790698
94 LAD 0.514563 0.764045
95 SFG 0.510638 0.682353
96 A3T 0.510638 0.743902
97 SAH 0.510417 0.697674
98 MAP 0.51 0.790698
99 DLL 0.509804 0.819277
100 PTJ 0.509615 0.793103
101 6RE 0.505618 0.655556
102 T99 0.505155 0.821429
103 TAT 0.505155 0.821429
104 SAM 0.505155 0.688889
105 ACQ 0.505155 0.788235
106 S7M 0.50505 0.688889
107 SMM 0.50505 0.684783
108 OOB 0.504951 0.819277
109 3UK 0.504854 0.809524
110 OAD 0.504854 0.831325
111 48N 0.504505 0.793103
112 EEM 0.5 0.652174
113 YAP 0.495327 0.790698
114 FA5 0.495327 0.8
115 1ZZ 0.495238 0.766667
116 3OD 0.495238 0.831325
117 FYA 0.495238 0.776471
118 00A 0.495146 0.781609
119 A22 0.49505 0.797619
120 ADP ALF 0.494949 0.75
121 ALF ADP 0.494949 0.75
122 ATF 0.494949 0.77907
123 SAI 0.494845 0.670455
124 J7C 0.494505 0.662921
125 A3N 0.494505 0.674419
126 YLP 0.491071 0.75
127 MYR AMP 0.490566 0.747253
128 9X8 0.490385 0.833333
129 5SV 0.490196 0.752809
130 25A 0.490196 0.807229
131 ADP VO4 0.49 0.797619
132 6YZ 0.49 0.788235
133 VO4 ADP 0.49 0.797619
134 A3S 0.489362 0.714286
135 GJV 0.48913 0.648352
136 S4M 0.48913 0.648936
137 9SN 0.485981 0.772727
138 PR8 0.485714 0.755556
139 B5V 0.485714 0.8
140 WAQ 0.485714 0.781609
141 0UM 0.485437 0.659341
142 ADQ 0.485437 0.788235
143 A1R 0.485437 0.761364
144 MAO 0.483871 0.714286
145 DSH 0.483516 0.662921
146 NEC 0.483516 0.678571
147 B5Y 0.481481 0.811765
148 B5M 0.481481 0.811765
149 SXZ 0.481132 0.688889
150 2VA 0.479167 0.72619
151 YLB 0.478261 0.75
152 YLC 0.478261 0.766667
153 7MC 0.478261 0.769231
154 ZAS 0.477778 0.697674
155 ARG AMP 0.477477 0.72043
156 4UU 0.477477 0.790698
157 ADP BMA 0.47619 0.767442
158 K15 0.47619 0.645161
159 A7D 0.473684 0.705882
160 TAD 0.473214 0.784091
161 AMP DBH 0.472727 0.747126
162 4UV 0.472727 0.790698
163 TYR AMP 0.472727 0.770115
164 A3R 0.471154 0.761364
165 F2R 0.470588 0.731183
166 TXE 0.469565 0.781609
167 TYM 0.469565 0.8
168 5AD 0.469136 0.675
169 MHZ 0.46875 0.659574
170 7C5 0.468468 0.724138
171 A3G 0.467391 0.705882
172 BIS 0.46729 0.761364
173 JB6 0.46729 0.802326
174 62X 0.466667 0.631579
175 SO8 0.464646 0.717647
176 GA7 0.464286 0.77907
177 25L 0.462963 0.797619
178 AYB 0.462185 0.741935
179 TXD 0.46087 0.781609
180 6V0 0.46087 0.772727
181 4UW 0.46087 0.784091
182 DQV 0.460177 0.819277
183 A A 0.457944 0.785714
184 EO7 0.457447 0.928571
185 OMR 0.456897 0.758242
186 LAQ 0.45614 0.786517
187 AHZ 0.45614 0.766667
188 ATP A A A 0.454545 0.795181
189 COD 0.454545 0.744681
190 YLA 0.453782 0.731183
191 LPA AMP 0.452174 0.766667
192 3AM 0.450549 0.771084
193 VRT 0.45 0.701149
194 NAX 0.448276 0.755556
195 NXX 0.448276 0.8
196 DND 0.448276 0.8
197 GEK 0.447619 0.712644
198 KH3 0.447368 0.638298
199 GTA 0.447368 0.766667
200 Y3J 0.447059 0.638554
201 7D7 0.445783 0.654762
202 IOT 0.445378 0.723404
203 7D5 0.444444 0.732558
204 AF3 ADP 3PG 0.444444 0.744444
205 3NZ 0.444444 0.712644
206 AP0 0.440678 0.772727
207 NVA 2AD 0.44 0.693182
208 A5D 0.44 0.73494
209 AR6 AR6 0.438596 0.785714
210 AFH 0.438596 0.744444
211 D3Y 0.438095 0.697674
212 CNA 0.438017 0.8
213 A3P 0.4375 0.804878
214 A2P 0.4375 0.792683
215 YLY 0.436508 0.741935
216 KB1 0.436364 0.641304
217 NAI 0.435897 0.781609
218 S8M 0.433962 0.712644
219 2A5 0.43 0.747126
220 G3A 0.429825 0.772727
221 NAQ 0.429688 0.793103
222 AAT 0.427184 0.648352
223 G5P 0.426087 0.772727
224 A3D 0.424 0.831325
225 80F 0.424 0.75
226 2AM 0.423913 0.761905
227 UP5 0.423729 0.790698
228 NAD 0.419355 0.819277
229 AMP NAD 0.419355 0.797619
230 T5A 0.418033 0.75
231 6IA 0.417476 0.725275
232 V3L 0.417476 0.807229
233 594 0.417323 0.821053
234 4TC 0.416667 0.772727
235 UPA 0.416667 0.781609
236 BT5 0.416 0.741935
237 N0B 0.415385 0.731183
238 PPS 0.413462 0.903614
239 A4P 0.413223 0.715789
240 7D3 0.412371 0.735632
241 PAP 0.411765 0.795181
242 ATR 0.411765 0.783133
243 FB0 0.411765 0.704082
244 NAE 0.410853 0.811765
245 OVE 0.410526 0.776471
246 7D4 0.41 0.735632
247 2SA 0.409524 0.77907
248 NAJ PZO 0.409449 0.772727
249 A6D 0.409091 0.7
250 3AD 0.409091 0.707317
251 4TA 0.408 0.73913
252 139 0.406504 0.755556
253 ADJ 0.406504 0.72043
254 DZD 0.404762 0.764045
255 67D 0.403226 0.896552
256 BS5 0.403226 0.787234
257 IMO 0.402062 0.771084
258 A2R 0.401869 0.797619
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: 118
This union binding pocket(no: 1) in the query (biounit: 2ztg.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 4WOE ADP 0.977654
2 5A1S FLC 1.11607
3 2IO8 ADP 1.13086
4 3TEG DAH 1.20482
5 2J3M ATP 1.57343
6 2J3M PRI 1.57343
7 1OVD ORO 1.60772
8 1OVD FMN 1.60772
9 4YDQ HFG 1.60966
10 4YDQ ANP 1.60966
11 3NEM ATP 1.82648
12 3NEM AMO 1.82648
13 3IAL PR8 1.9305
14 3MJY FMN 2.02312
15 3MJY IJZ 2.02312
16 5VAD 91Y 2.02977
17 5VAD PRO 2.02977
18 5BVE 4VG 2.21607
19 2Y91 98J 2.26415
20 3QO8 SSA 2.26804
21 4L3L 5FI 2.30263
22 4ZTD ALA GLY ALA GLY ALA 2.37154
23 4HWS 1B3 2.43309
24 3E7S AT2 2.5522
25 1G51 AMO 2.75862
26 2I4O ATP 2.83843
27 1RYD GLC 2.84238
28 4OPC PGT 2.86976
29 4OPC FDA 2.86976
30 3BJU ATP 2.87908
31 4WZH FMN 2.88184
32 5JJU AMP 2.94118
33 3A7R LAQ 2.96736
34 4YSW NAI 2.977
35 4YSW FAD 2.977
36 1QG6 NAD 3.06513
37 1QG6 TCL 3.06513
38 1NU4 MLA 3.09278
39 5WM2 AMP 3.19149
40 3C3N FMN 3.20513
41 3MVH WFE 3.21637
42 2XGT NSS 3.21839
43 3E9I XAH 3.24544
44 5XIO ANP 3.24763
45 5XIO HFG 3.24763
46 4YRI 4JH 3.28947
47 3G2Y GF4 3.42205
48 2CJ9 SSA 3.44828
49 2CJA ATP 3.44828
50 2G30 ALA ALA PHE 3.48837
51 5XIJ ANP 3.6
52 5XIJ 873 3.6
53 3LL5 IPE 3.61446
54 3LL5 ADP 3.61446
55 3LL5 IP8 3.61446
56 3ERR AMP 3.65359
57 4J75 TYM 3.66748
58 2ART LPA AMP 3.81679
59 4CNK MEU 3.83632
60 4GID 0GH 3.86598
61 3TCT 3MI 3.93701
62 1KDO C 3.96476
63 1WLE SRP 3.99202
64 5EW9 5VC 4.05904
65 3T4L ZEA 4.07407
66 3R96 ACO 4.25532
67 3R96 AMP 4.25532
68 1QD1 FON 4.30769
69 1RM6 FAD 4.32099
70 3UH0 TSB 4.34783
71 5EOO CIT 4.5283
72 3HCH RSM 4.79452
73 6C0T EE4 4.89914
74 3A5Y KAA 4.92754
75 5LXT GTP 4.94792
76 2QHS OCA 5.06329
77 1B7Y FYA 5.14286
78 3G1Z AMP 5.21472
79 2Z3U CRR 5.2774
80 1I7E IBS 5.28302
81 4HWT 1B2 5.32688
82 1LSH PLD 5.32915
83 5XFV FMN 5.38922
84 3REU ATP 5.44218
85 2QHV OC9 5.71429
86 2BVE PH5 5.88235
87 2HIM ASP 6.14525
88 2HIM ASN 6.14525
89 12AS AMP 6.36364
90 1SES AHX 6.4133
91 1SES AMP 6.4133
92 5VKM GAL SIA 6.48148
93 3QX9 ATP 6.52174
94 3NRZ FAD 6.55738
95 4H2X G5A 6.79612
96 4H2W AMP 6.79612
97 4H2W 5GP 6.79612
98 2VL1 GLY GLY 6.96203
99 1X54 4AD 7.37327
100 1MJT ITU 7.4928
101 4RF7 ARG 7.79944
102 3MF2 AMP 7.80347
103 4CS4 ANP 8.0292
104 4CS4 AXZ 8.0292
105 4QB6 GCU XYP 9.14634
106 2P3V SRT 9.76562
107 1E1O LYS 10.9127
108 3VMG 9CA 12.1739
109 3A5Z KAA 13.6126
110 5ML3 DL3 14.7651
111 1QKQ MAN 16.9014
112 5CIC 51R 17.5926
113 2AGC DAO 17.9012
114 5WL1 CUY 22.2222
115 5WL1 D3D 22.2222
116 4H2V AMP 22.7273
117 3IWD M2T 24.1935
118 3H0L ADP 25.5319
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