Receptor
PDB id Resolution Class Description Source Keywords
5FVJ 1.7 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF TACT (TRNA ACETYLATING TOXIN) FROM SALM SALMONELLA ENTERICA SUBSP. ENTERICA SE TYPHIMURIUM TRANSFERASE ACETYLTRANSFERASE
Ref.: A SALMONELLA TOXIN PROMOTES PERSISTER FORMATION THR ACETYLATION OF TRNA. MOL.CELL V. 63 86 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACO A:1161;
B:1162;
Valid;
Valid;
none;
none;
submit data
809.571 C23 H38 N7 O17 P3 S CC(=O...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5FVJ 1.7 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF TACT (TRNA ACETYLATING TOXIN) FROM SALM SALMONELLA ENTERICA SUBSP. ENTERICA SE TYPHIMURIUM TRANSFERASE ACETYLTRANSFERASE
Ref.: A SALMONELLA TOXIN PROMOTES PERSISTER FORMATION THR ACETYLATION OF TRNA. MOL.CELL V. 63 86 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 236 families.
1 5FVJ - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 211 families.
1 5FVJ - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 166 families.
1 5FVJ - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ACO; Similar ligands found: 170
No: Ligand ECFP6 Tc MDL keys Tc
1 ACO 1 1
2 3KK 0.9 0.988636
3 COS 0.898305 0.944444
4 CAO 0.898305 0.934066
5 2MC 0.893443 0.945652
6 OXK 0.892562 0.966292
7 MC4 0.887097 0.935484
8 1VU 0.885246 0.977528
9 CO6 0.885246 0.988636
10 CAA 0.879032 0.977273
11 SOP 0.877049 0.966292
12 IVC 0.870968 0.977273
13 1HE 0.870968 0.966667
14 MLC 0.870968 0.966292
15 BCO 0.870968 0.966292
16 3HC 0.870968 0.977273
17 FYN 0.868852 0.965909
18 COO 0.864 0.966292
19 MCA 0.864 0.977528
20 COK 0.861789 0.944444
21 0T1 0.857143 0.94382
22 SCA 0.857143 0.966292
23 COA 0.857143 0.965909
24 DCA 0.855932 0.94382
25 CMC 0.854839 0.944444
26 30N 0.85124 0.885417
27 HGG 0.850394 0.966292
28 IRC 0.850394 0.977273
29 BYC 0.850394 0.966292
30 COW 0.850394 0.955556
31 1GZ 0.850394 0.955556
32 BCA 0.84375 0.955556
33 FAQ 0.84375 0.966292
34 2CP 0.84252 0.955556
35 A1S 0.84127 0.966292
36 ETB 0.840336 0.932584
37 GRA 0.837209 0.966292
38 HXC 0.837209 0.988764
39 AMX 0.836066 0.954545
40 TGC 0.830769 0.955556
41 SCO 0.829268 0.94382
42 CMX 0.829268 0.94382
43 1CZ 0.824427 0.955556
44 CO8 0.824427 0.988764
45 2NE 0.824427 0.945055
46 FAM 0.822581 0.923077
47 FCX 0.822581 0.913043
48 2KQ 0.821705 0.988764
49 COF 0.821705 0.923913
50 3CP 0.821705 0.944444
51 UCC 0.818182 0.988764
52 ST9 0.818182 0.988764
53 DCC 0.818182 0.988764
54 MFK 0.818182 0.988764
55 5F9 0.818182 0.988764
56 MYA 0.818182 0.988764
57 HAX 0.816 0.923077
58 4CA 0.815385 0.934066
59 WCA 0.80597 0.945055
60 CS8 0.80597 0.977778
61 SCD 0.804688 0.94382
62 CA6 0.80315 0.896907
63 MCD 0.80315 0.966292
64 4KX 0.8 0.934783
65 HDC 0.8 0.988764
66 CIC 0.796992 0.944444
67 NMX 0.796875 0.875
68 MRS 0.794118 0.988764
69 MRR 0.794118 0.988764
70 4CO 0.791045 0.934066
71 0FQ 0.791045 0.944444
72 CAJ 0.790698 0.944444
73 YNC 0.788321 0.955556
74 DAK 0.788321 0.934783
75 01A 0.785185 0.904255
76 0ET 0.785185 0.966667
77 8Z2 0.782609 0.977778
78 HFQ 0.781022 0.923913
79 1CV 0.779412 0.966292
80 YE1 0.778626 0.933333
81 NHM 0.773723 0.966667
82 NHW 0.773723 0.966667
83 UOQ 0.773723 0.966667
84 CA8 0.766917 0.877551
85 1HA 0.760563 0.945055
86 NHQ 0.746479 0.955056
87 S0N 0.744526 0.923077
88 CCQ 0.744526 0.945652
89 01K 0.743056 0.966292
90 COT 0.737931 0.944444
91 CA3 0.727891 0.944444
92 UCA 0.721854 0.988764
93 CO7 0.713235 0.966292
94 CA5 0.703947 0.904255
95 93P 0.699346 0.934066
96 COD 0.692913 0.954545
97 93M 0.666667 0.934066
98 4BN 0.656627 0.946237
99 5TW 0.656627 0.946237
100 OXT 0.634731 0.946237
101 HMG 0.62585 0.933333
102 PLM COA 0.61745 0.955556
103 COA MYR 0.61745 0.955556
104 COA PLM 0.61745 0.955556
105 JBT 0.609195 0.926316
106 BSJ 0.594118 0.913979
107 PAP 0.577586 0.784091
108 PPS 0.53719 0.729167
109 191 0.532895 0.877551
110 RFC 0.53125 0.966667
111 SFC 0.53125 0.966667
112 A3P 0.525862 0.772727
113 ACE SER ASP ALY THR NH2 COA 0.505435 0.923077
114 0WD 0.503497 0.763441
115 PTJ 0.462687 0.842697
116 3AM 0.461538 0.761364
117 3OD 0.451852 0.797753
118 A22 0.450382 0.786517
119 PUA 0.447368 0.793478
120 A2D 0.446281 0.775281
121 PAJ 0.443609 0.853933
122 ATR 0.440945 0.772727
123 AGS 0.440945 0.8
124 SAP 0.440945 0.8
125 OAD 0.437037 0.797753
126 ADP 0.435484 0.795455
127 A2R 0.431818 0.786517
128 BA3 0.427419 0.775281
129 NA7 0.426471 0.829545
130 ATP 0.425197 0.795455
131 AP5 0.424 0.775281
132 B4P 0.424 0.775281
133 ADQ 0.422222 0.777778
134 5FA 0.421875 0.795455
135 AR6 0.421875 0.775281
136 APR 0.421875 0.775281
137 AQP 0.421875 0.795455
138 2A5 0.421875 0.818182
139 48N 0.42069 0.802198
140 AN2 0.420635 0.786517
141 FYA 0.42029 0.786517
142 M33 0.417323 0.786517
143 SRP 0.413534 0.808989
144 ANP 0.412214 0.777778
145 YLB 0.412162 0.877778
146 FA5 0.411348 0.788889
147 YLP 0.410959 0.877778
148 ME8 0.410072 0.835165
149 APU 0.409396 0.76087
150 5AL 0.409091 0.786517
151 7D3 0.408 0.766667
152 NJP 0.407895 0.78022
153 AD9 0.407692 0.777778
154 25L 0.407143 0.786517
155 7D4 0.40625 0.766667
156 CA0 0.40625 0.777778
157 ATF 0.406015 0.769231
158 A A A 0.405797 0.786517
159 A2P 0.404762 0.761364
160 8QN 0.404412 0.786517
161 LAQ 0.40411 0.815217
162 NDP 0.403974 0.763441
163 ACP 0.403101 0.797753
164 ACQ 0.401515 0.797753
165 YAP 0.401408 0.78022
166 ATP A A A 0.401408 0.744444
167 1ZZ 0.4 0.855556
168 PAX 0.4 0.768421
169 TXA 0.4 0.788889
170 NB8 0.4 0.782609
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5FVJ; Ligand: ACO; Similar sites found: 107
This union binding pocket(no: 1) in the query (biounit: 5fvj.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4UA3 COA 0.00000000002575 0.66074 None
2 1QSM ACO 0.00000001281 0.60848 None
3 4K30 NLG 0.001933 0.46406 None
4 2CBZ ATP 0.003918 0.4583 None
5 4DS0 A2G GAL NAG FUC 0.02156 0.41914 None
6 2ZFZ ARG 0.04775 0.40079 None
7 4AG9 COA 0.0000005293 0.63634 1.21212
8 4AG9 16G 0.01365 0.41638 1.21212
9 1WS1 BB2 0.008904 0.41388 1.28205
10 1JJ7 ADP 0.004506 0.45378 1.80723
11 1YQT ADP 0.01129 0.43187 1.80723
12 2VZZ SCA 0.00001529 0.49902 2.40964
13 1Z41 FMN 0.004582 0.42734 2.40964
14 1Z44 FMN 0.01174 0.41184 2.40964
15 1I1D COA 0.000000001195 0.63336 2.48447
16 1I1D 16G 0.00000002421 0.61399 2.48447
17 2PEH LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.01791 0.41045 2.85714
18 3BIY 01K 0.00006466 0.4576 3.01205
19 2DPY ADP 0.006414 0.44233 3.01205
20 5LKT BCO 0.00019 0.44037 3.01205
21 4V3I ASP LEU THR ARG PRO 0.0091 0.43932 3.01205
22 1CM0 COA 0.00000003183 0.67668 3.61446
23 5K04 COA 0.0000001965 0.59344 3.61446
24 4NSQ COA 0.000000001725 0.57677 3.61446
25 4H6U ACO 0.0000006937 0.57673 3.61446
26 1IYK MYA 0.00001126 0.50789 3.61446
27 4RI1 ACO 0.000001051 0.50405 3.61446
28 4R3L COA 0.0003908 0.45598 3.61446
29 5W8E SXZ 0.001352 0.42785 3.61446
30 5W8E ADE 0.001553 0.42412 3.61446
31 3SP6 IL2 0.009426 0.4059 3.61446
32 2OBM ADP 0.03806 0.40292 3.61446
33 3SXN COA 0.00000007343 0.61849 4.21687
34 1M4I PAP 0.000002552 0.54223 4.21687
35 1M4I KAN 0.000002552 0.54223 4.21687
36 1M4I COA 0.000002552 0.54223 4.21687
37 3B6C SDN 0.009266 0.43392 4.21687
38 4AG5 ADP 0.01449 0.42584 4.21687
39 3B5J 12D 0.01586 0.42161 4.21687
40 3RC3 ANP 0.02059 0.41138 4.21687
41 4CM4 4NR 0.0321 0.40619 4.21687
42 4IEE AGS 0.03279 0.40091 4.21687
43 4B5P ACO 0.0000003753 0.55801 4.81928
44 4QC6 30N 0.00008776 0.48217 4.81928
45 4U9W COA 0.001376 0.43472 4.81928
46 1JI0 ATP 0.01158 0.42882 4.81928
47 3G5K BB2 0.01018 0.41116 4.81928
48 3P2H NOO 0.01085 0.40643 4.81928
49 1BOB ACO 0.00000003351 0.58016 5.42169
50 2WSA MYA 0.00002231 0.5432 5.42169
51 2WSA 646 0.00002231 0.5432 5.42169
52 4URN NOV 0.00463 0.44977 5.42169
53 1JJV ATP 0.01869 0.42032 5.42169
54 4UBS DIF 0.03519 0.40485 5.42169
55 5V4R MGT 0.01621 0.4287 5.55556
56 4KVX ACO 0.0000000003347 0.66898 5.76923
57 4C2X NHW 0.000005016 0.53485 6.0241
58 3R96 ACO 0.00003892 0.49417 6.0241
59 3R96 AMP 0.00003892 0.49417 6.0241
60 3TO7 COA 0.007825 0.43026 6.0241
61 4YDS ATP 0.02572 0.41049 6.0241
62 1WWZ ACO 0.000000000269 0.68357 6.28931
63 3TW1 AHN 0.03753 0.40184 6.62651
64 5H86 BCO 0.0000000001009 0.70027 7.22892
65 1KUV CA5 0.00000001869 0.61846 7.22892
66 2ZPA ACO 0.000000003228 0.60959 7.22892
67 3N7S 3N7 0.03938 0.40463 7.29167
68 1QSR ACO 0.00000000004367 0.72846 7.40741
69 1Q2D COA 0.0000004079 0.60793 7.40741
70 1QSN COA 0.0000006834 0.5905 7.40741
71 1Q2C COA 0.000001754 0.51044 7.40741
72 2CNT COA 0.000000001021 0.63398 7.5
73 2IL4 COA 0.000004705 0.45953 7.76699
74 2WPX ACO 0.00000006271 0.53012 7.83133
75 2WPW ACO 0.00000006573 0.52343 7.83133
76 3CZ7 ACO 0.00005019 0.47041 7.83133
77 4C2Z MYA 0.000006731 0.44282 7.83133
78 1TV5 N8E 0.01238 0.43832 7.83133
79 5XDR ADP 0.02154 0.40271 7.83133
80 5HX1 UMP 0.03891 0.40203 7.97101
81 1N71 COA 0.0000001181 0.61689 8.43373
82 2YNE YNE 0.00004491 0.53029 8.43373
83 2YNE NHW 0.00004491 0.53029 8.43373
84 2YNC YNC 0.000005145 0.52827 8.43373
85 3W5J GDP 0.01746 0.42496 8.43373
86 2WDA L42 0.03592 0.40891 8.43373
87 2VBQ BSJ 0.02142 0.40646 8.48485
88 1GHE ACO 0.0000000006587 0.64256 9.63855
89 1IID NHM 0.0001023 0.48107 9.63855
90 1S7N COA 0.00002823 0.45298 10.241
91 1G27 BB1 0.0118 0.40477 12.6506
92 2XXP DSL 0.01975 0.40525 13.8554
93 2B4B COA 0.00000003289 0.55925 14.4578
94 3LRE ADP 0.006671 0.44376 14.4578
95 5JPH COA 0.00000001059 0.5745 14.5833
96 2JEV NHQ 0.0000006657 0.59651 15.0602
97 3TE4 ACO 0.0000002776 0.54014 15.0602
98 4UWJ MYA 0.00005569 0.51395 15.6627
99 4UWJ 7L5 0.00005569 0.51395 15.6627
100 2B4D COA 0.00000007783 0.54665 16.2651
101 2Q4V ACO 0.0000000007923 0.65503 18.6747
102 5HGZ ACO 0.0000000001076 0.679 19.2771
103 5GK9 ACO 0.0000002433 0.56535 20
104 4CVN ADP 0.03906 0.40083 21.1679
105 2ZFN ACO 0.000007772 0.51614 24.0964
106 4PPF FLC 0.0008937 0.49045 37.9518
107 4PSW COA 0.000006155 0.45566 39.4737
Pocket No.: 2; Query (leader) PDB : 5FVJ; Ligand: ACO; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 5fvj.bio1) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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