Receptor
PDB id Resolution Class Description Source Keywords
2CJ9 2.3 Å EC: 6.1.1.11 CRYSTAL STRUCTURE OF METHANOSARCINA BARKERI SERYL-TRNA SYNTH COMPLEXED WITH AN ANALOG OF SERYLADENYLATE METHANOSARCINA BARKERI LIGASE ZINC ION SERYLADENYLATE TRNA SYNTHETASE
Ref.: STRUCTURE OF THE UNUSUAL SERYL-TRNA SYNTHETASE REVE DISTINCT ZINC-DEPENDENT MODE OF SUBSTRATE RECOGNITI EMBO J. V. 25 2498 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:1504;
B:1504;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
SSA A:1505;
B:1505;
Valid;
Valid;
none;
none;
submit data
433.397 C13 H19 N7 O8 S c1nc(...
ZN A:1503;
B:1503;
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
2CJ9 2.3 Å EC: 6.1.1.11 CRYSTAL STRUCTURE OF METHANOSARCINA BARKERI SERYL-TRNA SYNTH COMPLEXED WITH AN ANALOG OF SERYLADENYLATE METHANOSARCINA BARKERI LIGASE ZINC ION SERYLADENYLATE TRNA SYNTHETASE
Ref.: STRUCTURE OF THE UNUSUAL SERYL-TRNA SYNTHETASE REVE DISTINCT ZINC-DEPENDENT MODE OF SUBSTRATE RECOGNITI EMBO J. V. 25 2498 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 2CJ9 - SSA C13 H19 N7 O8 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 6 families.
1 2CJ9 - SSA C13 H19 N7 O8 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 5 families.
1 2CJ9 - SSA C13 H19 N7 O8 S c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SSA; Similar ligands found: 278
No: Ligand ECFP6 Tc MDL keys Tc
1 SSA 1 1
2 5CA 0.876543 1
3 DSZ 0.833333 0.97619
4 LSS 0.833333 0.931035
5 A5A 0.817073 0.940476
6 53H 0.809524 0.908046
7 GSU 0.804598 0.952941
8 KAA 0.804598 0.942529
9 VMS 0.797619 0.918605
10 54H 0.797619 0.918605
11 TSB 0.788235 0.952381
12 52H 0.776471 0.908046
13 YSA 0.76087 0.952941
14 NSS 0.75 0.97619
15 NVA LMS 0.741573 0.920455
16 G5A 0.738095 0.97619
17 LEU LMS 0.733333 0.920455
18 WSA 0.7 0.964286
19 8X1 0.688889 0.942529
20 5AS 0.686747 0.908046
21 8PZ 0.659794 0.97619
22 LMS 0.654321 0.939759
23 P5A 0.652632 0.931818
24 AHX 0.631579 0.848837
25 B1U 0.62 0.858696
26 8Q2 0.598131 0.942529
27 4YB 0.596154 0.931035
28 SRP 0.595745 0.835294
29 649 0.588785 0.910112
30 SON 0.58427 0.793103
31 A 0.576471 0.776471
32 AMP 0.576471 0.776471
33 5AL 0.574468 0.790698
34 5X8 0.571429 0.729412
35 BA3 0.561798 0.8
36 CA0 0.56044 0.802326
37 45A 0.556818 0.758621
38 ABM 0.556818 0.758621
39 A2D 0.556818 0.8
40 AP5 0.555556 0.8
41 B4P 0.555556 0.8
42 KG4 0.554348 0.802326
43 SRA 0.551724 0.802326
44 AN2 0.549451 0.811765
45 A3S 0.549451 0.771084
46 8LH 0.546392 0.793103
47 AOC 0.545455 0.697674
48 A12 0.544444 0.793103
49 AP2 0.544444 0.793103
50 XYA 0.544304 0.73494
51 ADN 0.544304 0.73494
52 RAB 0.544304 0.73494
53 ADX 0.543478 0.916667
54 AU1 0.543478 0.802326
55 5CD 0.54321 0.682353
56 XAH 0.542857 0.8
57 AMO 0.54 0.835294
58 ADP 0.538462 0.8
59 SLU 0.538462 0.897727
60 HEJ 0.537634 0.8
61 ATP 0.537634 0.8
62 SAH 0.536842 0.712644
63 3DH 0.534884 0.678161
64 NB8 0.533981 0.827586
65 AT4 0.532609 0.813953
66 ADP MG 0.532609 0.776471
67 5FA 0.531915 0.8
68 AQP 0.531915 0.8
69 GAP 0.53125 0.781609
70 5N5 0.530864 0.714286
71 8QN 0.53 0.790698
72 9ZA 0.53 0.775281
73 9ZD 0.53 0.775281
74 M33 0.526882 0.790698
75 SA8 0.526316 0.663043
76 AGS 0.526316 0.825581
77 SAP 0.526316 0.825581
78 8LE 0.525773 0.764045
79 A4D 0.52439 0.73494
80 LAD 0.524272 0.797753
81 SFG 0.521277 0.697674
82 ACP 0.521277 0.802326
83 50T 0.521277 0.770115
84 8LQ 0.52 0.793103
85 DAL AMP 0.52 0.770115
86 DLL 0.519608 0.790698
87 ME8 0.519231 0.78022
88 TXA 0.519231 0.793103
89 DTA 0.517647 0.709302
90 APR 0.515789 0.8
91 PRX 0.515789 0.741573
92 AR6 0.515789 0.8
93 APC 0.515789 0.793103
94 T99 0.515464 0.813953
95 TAT 0.515464 0.813953
96 ANP 0.515464 0.802326
97 OOB 0.514852 0.790698
98 3UK 0.514563 0.781609
99 7MD 0.513761 0.820225
100 AD9 0.510417 0.781609
101 ATP MG 0.510417 0.776471
102 ADV 0.510417 0.793103
103 RBY 0.510417 0.793103
104 ADP PO3 0.510417 0.776471
105 APC MG 0.510417 0.758621
106 0UM 0.509804 0.673913
107 4AD 0.509804 0.825581
108 PAJ 0.509804 0.777778
109 EP4 0.505882 0.644444
110 H1Q 0.505263 0.767442
111 SAI 0.505155 0.685393
112 ATF 0.50505 0.772727
113 00A 0.504854 0.755556
114 9K8 0.504762 0.760417
115 FA5 0.504673 0.813953
116 YAP 0.504673 0.804598
117 SAM 0.5 0.684783
118 6RE 0.5 0.688889
119 6YZ 0.5 0.802326
120 SMM 0.5 0.680851
121 A7D 0.5 0.72093
122 ACQ 0.5 0.802326
123 M2T 0.5 0.666667
124 S7M 0.5 0.684783
125 9SN 0.495327 0.747253
126 WAQ 0.495238 0.775281
127 B5V 0.495238 0.772727
128 EEM 0.494949 0.648936
129 MTA 0.494253 0.678161
130 PTJ 0.490566 0.747253
131 FYA 0.490566 0.790698
132 A22 0.490196 0.790698
133 MAP 0.490196 0.784091
134 ALF ADP 0.49 0.725275
135 ADP ALF 0.49 0.725275
136 A3N 0.48913 0.689655
137 J7C 0.48913 0.696629
138 YLP 0.486726 0.763441
139 ARG AMP 0.486486 0.752688
140 OAD 0.485714 0.802326
141 K15 0.485714 0.642105
142 25A 0.485437 0.77907
143 ADP VO4 0.485149 0.770115
144 VO4 ADP 0.485149 0.770115
145 GJV 0.483871 0.681319
146 PR8 0.481132 0.788889
147 J4G 0.481132 0.804598
148 ADQ 0.480769 0.802326
149 A1R 0.480769 0.816092
150 HQG 0.480392 0.790698
151 DSH 0.478261 0.696629
152 TYM 0.478261 0.813953
153 B5Y 0.477064 0.764045
154 B5M 0.477064 0.764045
155 BIS 0.476636 0.755556
156 3OD 0.476636 0.802326
157 1ZZ 0.476636 0.723404
158 62X 0.47619 0.628866
159 A3T 0.474227 0.738095
160 YLB 0.474138 0.763441
161 YLC 0.474138 0.78022
162 48N 0.473684 0.786517
163 ZAS 0.472527 0.693182
164 MYR AMP 0.472222 0.705263
165 25L 0.472222 0.790698
166 ADP BMA 0.471698 0.781609
167 9X8 0.471698 0.804598
168 5SV 0.471154 0.709677
169 OZV 0.471154 0.8
170 TYR AMP 0.468468 0.784091
171 AMP DBH 0.468468 0.741573
172 S4M 0.468085 0.663158
173 A3R 0.466667 0.816092
174 F2R 0.466667 0.782609
175 7C5 0.464286 0.7
176 MAO 0.463158 0.709677
177 JB6 0.462963 0.795455
178 SXZ 0.462963 0.684783
179 NEC 0.462366 0.674419
180 A3G 0.462366 0.761905
181 YLA 0.462185 0.763441
182 7MC 0.461538 0.802198
183 VRT 0.46 0.735632
184 KB1 0.458716 0.655914
185 AYB 0.458333 0.755319
186 TAD 0.45614 0.797753
187 DQV 0.45614 0.811765
188 4UV 0.455357 0.764045
189 IOT 0.453782 0.755319
190 A A 0.453704 0.758621
191 TXE 0.452991 0.775281
192 EO7 0.452632 0.896552
193 HZ2 0.452174 0.703297
194 LAQ 0.452174 0.76087
195 MHZ 0.44898 0.673684
196 LPA AMP 0.448276 0.741935
197 KOY 0.448276 0.704545
198 D3Y 0.447619 0.752941
199 4UU 0.447368 0.764045
200 AFH 0.447368 0.777778
201 GA7 0.447368 0.793103
202 N5O 0.446809 0.729412
203 5AD 0.445783 0.630952
204 3AM 0.445652 0.764706
205 2VA 0.444444 0.72093
206 HY8 0.444444 0.703297
207 6V0 0.444444 0.766667
208 NAX 0.444444 0.788889
209 NXX 0.444444 0.793103
210 DND 0.444444 0.793103
211 TXD 0.444444 0.775281
212 KH3 0.443478 0.652632
213 GTA 0.443478 0.741935
214 S8M 0.443396 0.727273
215 GEK 0.443396 0.727273
216 Y3J 0.44186 0.616279
217 AF3 ADP 3PG 0.440678 0.73913
218 OMR 0.440678 0.734043
219 7D7 0.440476 0.651163
220 3NZ 0.440367 0.747126
221 AHZ 0.439655 0.723404
222 7D5 0.43956 0.727273
223 COD 0.439024 0.776596
224 G3A 0.438596 0.766667
225 ATP A A A 0.4375 0.767442
226 ATP A 0.4375 0.767442
227 N5A 0.4375 0.705882
228 594 0.436508 0.833333
229 A5D 0.435644 0.709302
230 AR6 AR6 0.434783 0.758621
231 G5P 0.434783 0.766667
232 BS5 0.434426 0.83871
233 N0B 0.434109 0.763441
234 YLY 0.433071 0.755319
235 A3P 0.43299 0.776471
236 A2P 0.43299 0.764706
237 UP5 0.432203 0.784091
238 4UW 0.432203 0.73913
239 NAI 0.432203 0.775281
240 80F 0.432 0.782609
241 SO8 0.431373 0.712644
242 BT5 0.424 0.755319
243 OZP 0.423729 0.681319
244 AAT 0.423077 0.681319
245 CNA 0.422764 0.813953
246 NVA 2AD 0.421569 0.727273
247 A4P 0.421488 0.747368
248 7D4 0.42 0.75
249 2AM 0.419355 0.776471
250 AMP NAD 0.416 0.770115
251 NAD 0.416 0.790698
252 T5A 0.414634 0.763441
253 V3L 0.413462 0.77907
254 4TC 0.413223 0.786517
255 AP0 0.413223 0.747253
256 UPA 0.413223 0.795455
257 2A5 0.411765 0.781609
258 590 0.410448 0.84375
259 PPS 0.409524 0.894118
260 A3D 0.409449 0.781609
261 7D3 0.408163 0.75
262 6MZ 0.408163 0.747126
263 ATR 0.407767 0.776471
264 PAP 0.407767 0.788235
265 NAJ PZO 0.40625 0.747253
266 OVE 0.40625 0.790698
267 2SA 0.40566 0.813953
268 A6D 0.405405 0.677419
269 N37 0.404959 0.685393
270 BTX 0.404762 0.763441
271 NAQ 0.40458 0.747253
272 3AD 0.404494 0.722892
273 ADJ 0.403226 0.734043
274 139 0.403226 0.788889
275 F0P 0.401639 0.681319
276 DZD 0.401575 0.777778
277 67D 0.4 0.909091
278 M24 0.4 0.75
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2CJ9; Ligand: SSA; 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: 2cj9.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2CJ9; Ligand: SSA; 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: 2cj9.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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