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Receptor
PDB id Resolution Class Description Source Keywords
3QO8 2 Å EC: 6.1.1.11 CRYSTAL STRUCTURE OF SERYL-TRNA SYNTHETASE FROM CANDIDA ALBI CANDIDA ALBICANS CLASS-II AMINOACYL-TRNA SYNTHETASE FAMILY TYPE-1 SERYL-TRNASYNTHETASE SUBFAMILY AMINOACYL-TRNA SYNTHETASE SERINE TRLIGASE
Ref.: UNVEILING THE STRUCTURAL BASIS FOR TRANSLATIONAL AM TOLERANCE IN A HUMAN FUNGAL PATHOGEN. PROC.NATL.ACAD.SCI.USA V. 108 14091 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:487;
A:489;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
SSA A:486;
A:488;
Valid;
Valid;
none;
none;
submit data
433.397 C13 H19 N7 O8 S c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3QO8 2 Å EC: 6.1.1.11 CRYSTAL STRUCTURE OF SERYL-TRNA SYNTHETASE FROM CANDIDA ALBI CANDIDA ALBICANS CLASS-II AMINOACYL-TRNA SYNTHETASE FAMILY TYPE-1 SERYL-TRNASYNTHETASE SUBFAMILY AMINOACYL-TRNA SYNTHETASE SERINE TRLIGASE
Ref.: UNVEILING THE STRUCTURAL BASIS FOR TRANSLATIONAL AM TOLERANCE IN A HUMAN FUNGAL PATHOGEN. PROC.NATL.ACAD.SCI.USA V. 108 14091 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 3QO8 - 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 5 families.
1 3QO8 - 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 3QO8 - SSA C13 H19 N7 O8 S c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SSA; Similar ligands found: 256
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 KAA 0.804598 0.942529
8 GSU 0.804598 0.952941
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 8Q2 0.598131 0.942529
26 4YB 0.596154 0.931035
27 SRP 0.595745 0.835294
28 649 0.588785 0.910112
29 SON 0.58427 0.793103
30 A 0.576471 0.776471
31 AMP 0.576471 0.776471
32 5AL 0.574468 0.790698
33 5X8 0.571429 0.729412
34 BA3 0.561798 0.8
35 CA0 0.56044 0.802326
36 ABM 0.556818 0.758621
37 A2D 0.556818 0.8
38 B4P 0.555556 0.8
39 AP5 0.555556 0.8
40 SRA 0.551724 0.802326
41 AN2 0.549451 0.811765
42 A3S 0.549451 0.771084
43 AOC 0.545455 0.697674
44 AP2 0.544444 0.793103
45 A12 0.544444 0.793103
46 XYA 0.544304 0.73494
47 RAB 0.544304 0.73494
48 ADN 0.544304 0.73494
49 ADX 0.543478 0.916667
50 AU1 0.543478 0.802326
51 5CD 0.54321 0.682353
52 XAH 0.542857 0.8
53 AMO 0.54 0.835294
54 SLU 0.538462 0.897727
55 ADP 0.538462 0.8
56 HEJ 0.537634 0.8
57 ATP 0.537634 0.8
58 SAH 0.536842 0.712644
59 3DH 0.534884 0.678161
60 NB8 0.533981 0.827586
61 AT4 0.532609 0.813953
62 AQP 0.531915 0.8
63 5FA 0.531915 0.8
64 GAP 0.53125 0.781609
65 5N5 0.530864 0.714286
66 9ZA 0.53 0.775281
67 9ZD 0.53 0.775281
68 8QN 0.53 0.790698
69 M33 0.526882 0.790698
70 SA8 0.526316 0.663043
71 AGS 0.526316 0.825581
72 SAP 0.526316 0.825581
73 A4D 0.52439 0.73494
74 LAD 0.524272 0.797753
75 50T 0.521277 0.770115
76 ACP 0.521277 0.802326
77 SFG 0.521277 0.697674
78 DAL AMP 0.52 0.770115
79 DLL 0.519608 0.790698
80 ME8 0.519231 0.78022
81 TXA 0.519231 0.793103
82 DTA 0.517647 0.709302
83 AR6 0.515789 0.8
84 PRX 0.515789 0.741573
85 APC 0.515789 0.793103
86 APR 0.515789 0.8
87 TAT 0.515464 0.813953
88 ANP 0.515464 0.802326
89 T99 0.515464 0.813953
90 OOB 0.514852 0.790698
91 3UK 0.514563 0.781609
92 7MD 0.513761 0.820225
93 ADP PO3 0.510417 0.776471
94 RBY 0.510417 0.793103
95 ADV 0.510417 0.793103
96 AD9 0.510417 0.781609
97 4AD 0.509804 0.825581
98 PAJ 0.509804 0.777778
99 0UM 0.509804 0.673913
100 EP4 0.505882 0.644444
101 SAI 0.505155 0.685393
102 ATF 0.50505 0.772727
103 00A 0.504854 0.755556
104 9K8 0.504762 0.760417
105 FA5 0.504673 0.813953
106 YAP 0.504673 0.804598
107 ACQ 0.5 0.802326
108 SAM 0.5 0.684783
109 SMM 0.5 0.680851
110 A7D 0.5 0.72093
111 S7M 0.5 0.684783
112 M2T 0.5 0.666667
113 6YZ 0.5 0.802326
114 6RE 0.5 0.688889
115 9SN 0.495327 0.747253
116 WAQ 0.495238 0.775281
117 B5V 0.495238 0.772727
118 EEM 0.494949 0.648936
119 MTA 0.494253 0.678161
120 FYA 0.490566 0.790698
121 PTJ 0.490566 0.747253
122 MAP 0.490196 0.784091
123 A22 0.490196 0.790698
124 ADP ALF 0.49 0.725275
125 ALF ADP 0.49 0.725275
126 A3N 0.48913 0.689655
127 J7C 0.48913 0.696629
128 YLP 0.486726 0.763441
129 ARG AMP 0.486486 0.752688
130 K15 0.485714 0.642105
131 OAD 0.485714 0.802326
132 25A 0.485437 0.77907
133 ADP VO4 0.485149 0.770115
134 VO4 ADP 0.485149 0.770115
135 GJV 0.483871 0.681319
136 PR8 0.481132 0.788889
137 ADQ 0.480769 0.802326
138 A1R 0.480769 0.816092
139 DSH 0.478261 0.696629
140 TYM 0.478261 0.813953
141 B5Y 0.477064 0.764045
142 B5M 0.477064 0.764045
143 1ZZ 0.476636 0.723404
144 BIS 0.476636 0.755556
145 3OD 0.476636 0.802326
146 62X 0.47619 0.628866
147 A3T 0.474227 0.738095
148 YLB 0.474138 0.763441
149 YLC 0.474138 0.78022
150 48N 0.473684 0.786517
151 ZAS 0.472527 0.693182
152 MYR AMP 0.472222 0.705263
153 25L 0.472222 0.790698
154 9X8 0.471698 0.804598
155 ADP BMA 0.471698 0.781609
156 5SV 0.471154 0.709677
157 TYR AMP 0.468468 0.784091
158 AMP DBH 0.468468 0.741573
159 S4M 0.468085 0.663158
160 A3R 0.466667 0.816092
161 F2R 0.466667 0.782609
162 7C5 0.464286 0.7
163 MAO 0.463158 0.709677
164 JB6 0.462963 0.795455
165 SXZ 0.462963 0.684783
166 NEC 0.462366 0.674419
167 A3G 0.462366 0.761905
168 YLA 0.462185 0.763441
169 7MC 0.461538 0.802198
170 VRT 0.46 0.735632
171 KB1 0.458716 0.655914
172 AYB 0.458333 0.755319
173 TAD 0.45614 0.797753
174 DQV 0.45614 0.811765
175 4UV 0.455357 0.764045
176 IOT 0.453782 0.755319
177 A A 0.453704 0.758621
178 TXE 0.452991 0.775281
179 EO7 0.452632 0.896552
180 LAQ 0.452174 0.76087
181 MHZ 0.44898 0.673684
182 LPA AMP 0.448276 0.741935
183 D3Y 0.447619 0.752941
184 4UU 0.447368 0.764045
185 GA7 0.447368 0.793103
186 AFH 0.447368 0.777778
187 5AD 0.445783 0.630952
188 3AM 0.445652 0.764706
189 6V0 0.444444 0.766667
190 TXD 0.444444 0.775281
191 NAX 0.444444 0.788889
192 DND 0.444444 0.793103
193 2VA 0.444444 0.72093
194 NXX 0.444444 0.793103
195 KH3 0.443478 0.652632
196 GTA 0.443478 0.741935
197 S8M 0.443396 0.727273
198 GEK 0.443396 0.727273
199 Y3J 0.44186 0.616279
200 OMR 0.440678 0.734043
201 AF3 ADP 3PG 0.440678 0.73913
202 7D7 0.440476 0.651163
203 3NZ 0.440367 0.747126
204 AHZ 0.439655 0.723404
205 7D5 0.43956 0.727273
206 COD 0.439024 0.776596
207 G3A 0.438596 0.766667
208 ATP A A A 0.4375 0.767442
209 594 0.436508 0.833333
210 A5D 0.435644 0.709302
211 AR6 AR6 0.434783 0.758621
212 G5P 0.434783 0.766667
213 BS5 0.434426 0.83871
214 N0B 0.434109 0.763441
215 YLY 0.433071 0.755319
216 A2P 0.43299 0.764706
217 A3P 0.43299 0.776471
218 NAI 0.432203 0.775281
219 UP5 0.432203 0.784091
220 4UW 0.432203 0.73913
221 80F 0.432 0.782609
222 SO8 0.431373 0.712644
223 BT5 0.424 0.755319
224 AAT 0.423077 0.681319
225 CNA 0.422764 0.813953
226 NVA 2AD 0.421569 0.727273
227 A4P 0.421488 0.747368
228 7D4 0.42 0.75
229 2AM 0.419355 0.776471
230 NAD 0.416 0.790698
231 AMP NAD 0.416 0.770115
232 T5A 0.414634 0.763441
233 V3L 0.413462 0.77907
234 4TC 0.413223 0.786517
235 AP0 0.413223 0.747253
236 UPA 0.413223 0.795455
237 2A5 0.411765 0.781609
238 590 0.410448 0.84375
239 PPS 0.409524 0.894118
240 A3D 0.409449 0.781609
241 7D3 0.408163 0.75
242 PAP 0.407767 0.788235
243 ATR 0.407767 0.776471
244 NAJ PZO 0.40625 0.747253
245 OVE 0.40625 0.790698
246 2SA 0.40566 0.813953
247 A6D 0.405405 0.677419
248 BTX 0.404762 0.763441
249 NAQ 0.40458 0.747253
250 3AD 0.404494 0.722892
251 139 0.403226 0.788889
252 ADJ 0.403226 0.734043
253 F0P 0.401639 0.681319
254 DZD 0.401575 0.777778
255 M24 0.4 0.75
256 67D 0.4 0.909091
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3QO8; Ligand: SSA; Similar sites found with APoc: 63
This union binding pocket(no: 1) in the query (biounit: 3qo8.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 1YFS ALA 1.50538
2 3G1Z AMP 1.84049
3 2BKL ZAH 1.85567
4 1G51 AMO 2.06186
5 2ZTG A5A 2.26804
6 3NEM ATP 2.28311
7 3NEM AMO 2.28311
8 2P0D I3P 2.32558
9 12AS AMP 2.42424
10 5V59 8X1 2.47423
11 1E1O LYS 2.47423
12 5XIO ANP 2.68041
13 2I4O ATP 3.05677
14 3BJU ATP 3.09278
15 4WOE ADP 3.09278
16 2XGT NSS 3.67816
17 3E9I XAH 3.71134
18 5VAD 91Y 3.71134
19 2E5A LAQ 3.7464
20 1ORR NAD 4.03458
21 3T4L ZEA 4.07407
22 1X54 4AD 4.14747
23 5F3I 5UJ 4.16667
24 3HXU A5A 4.30839
25 3A7R LAQ 4.45104
26 2J3M ATP 4.53608
27 2J3M PRI 4.53608
28 4HIA FMN 4.54545
29 6EMU SAM 4.56853
30 4YDQ ANP 4.74227
31 4YDQ HFG 4.74227
32 4ZUL UN1 4.94845
33 2ART LPA AMP 4.96183
34 5VX9 FUC GAL NAG GAL BGC 4.96894
35 2Y88 2ER 5.32787
36 4RGA 3PV 5.85242
37 3TEG DAH 6.0241
38 3A5Y KAA 6.37681
39 3A5Z KAA 6.80628
40 4P8K 38C 6.875
41 4P8K FAD 6.875
42 1B7Y FYA 7.14286
43 2G30 ALA ALA PHE 7.36434
44 2YNE YNE 8.85417
45 2YNE NHW 8.85417
46 4H2V AMP 9.24856
47 3MF2 AMP 9.24856
48 4WVO 3UZ 10.4972
49 1M5W DXP 10.6996
50 3REU ATP 11.5646
51 3UH0 TSB 12.3913
52 5VX5 FUC GAL NAG GAL BGC 14.1975
53 4HWT 1B2 15.0121
54 5XIJ ANP 15.4639
55 5XIJ 873 15.4639
56 4HWS 1B3 16.3017
57 4H2W AMP 16.763
58 4H2W 5GP 16.763
59 3IAL PR8 19.112
60 4H2X G5A 22.8324
61 4CS4 ANP 23.3577
62 4CS4 AXZ 23.3577
63 3ERR AMP 38.7629
Pocket No.: 2; Query (leader) PDB : 3QO8; 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: 3qo8.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3QO8; Ligand: SSA; Similar sites found with APoc: 34
This union binding pocket(no: 3) in the query (biounit: 3qo8.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 5YLF BGC 1.49701
2 3BP1 GUN 1.72414
3 2ZL7 FUC GAL NGA 2.26804
4 3KLL MAL 2.26804
5 4ZM4 P3B 2.47423
6 4ZM4 PLP 2.47423
7 1ON3 MCA 2.47423
8 2ISJ FMN 2.6087
9 2Q7V FAD 2.76923
10 4RF7 ARG 3.06407
11 2XOC ADP 3.06513
12 1YXM ADE 3.30033
13 1SQL GUN 3.42466
14 5YS9 FAD 3.50515
15 5A1T NAI 3.51906
16 5A1T OXM 3.51906
17 6HOY TSN 3.64238
18 2D24 XYS XYS 3.66972
19 5TCI MLI 3.98551
20 1WUR 8DG 4.09091
21 6EL3 NAP 4.72441
22 2Z49 AMG 5.32407
23 2Z48 NGA 5.32407
24 2GAG NAD 5.7732
25 4PVV HO4 6.79012
26 4CS9 AMP 6.87831
27 5XVG 8FX 7.16724
28 5KK4 44E 8.33333
29 4CQK PIO 8.51064
30 3LQV ADE 9.56522
31 4FGC PQ0 9.69697
32 4COQ SAN 10.1215
33 5J60 FAD 12.5
34 2CB3 MLD 21.7143
Pocket No.: 4; Query (leader) PDB : 3QO8; 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: 4) in the query (biounit: 3qo8.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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