Receptor
PDB id Resolution Class Description Source Keywords
2FT0 1.66 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF TDP-FUCOSAMINE ACETYLTRANSFERASE (WECD) WITH ACETYL-COA ESCHERICHIA COLI GNAT FOLD ACETYLTRANSFERASE STRUCTURAL GENOMICS MONTREAL-KBACTERIAL STRUCTURAL GENOMICS INITIATIVE BSGI TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF TDP-FUCOSAMINE ACETYLTRANSFERA FROM ESCHERICHIA COLI, AN ENZYME REQUIRED FOR ENTEROBACTERIAL COMMON ANTIGEN SYNTHESIS. J.BACTERIOL. V. 188 5606 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACO A:600;
B:601;
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
2FT0 1.66 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF TDP-FUCOSAMINE ACETYLTRANSFERASE (WECD) WITH ACETYL-COA ESCHERICHIA COLI GNAT FOLD ACETYLTRANSFERASE STRUCTURAL GENOMICS MONTREAL-KBACTERIAL STRUCTURAL GENOMICS INITIATIVE BSGI TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF TDP-FUCOSAMINE ACETYLTRANSFERA FROM ESCHERICHIA COLI, AN ENZYME REQUIRED FOR ENTEROBACTERIAL COMMON ANTIGEN SYNTHESIS. J.BACTERIOL. V. 188 5606 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 236 families.
1 2FT0 - 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 2FT0 - 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 2FT0 - 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 : 2FT0; Ligand: ACO; Similar sites found: 98
This union binding pocket(no: 1) in the query (biounit: 2ft0.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5H86 BCO 0.00001975 0.53932 None
2 4QC6 30N 0.00002559 0.46379 None
3 1GXU 2HP 0.00475 0.45738 None
4 4MPO AMP 0.01195 0.41611 None
5 5JPH COA 0.00691 0.40934 None
6 2J9D ADP 0.01316 0.40001 None
7 1BOB ACO 0.00003898 0.45377 0.851064
8 4RI1 ACO 0.000001982 0.56924 1.07527
9 5HGZ ACO 0.0000001924 0.62602 1.70213
10 4B5P ACO 0.001384 0.45156 2
11 1VDC FAD 0.002617 0.46162 2.12766
12 1RL4 BL5 0.01391 0.42235 2.12766
13 3TE4 ACO 0.00001325 0.53686 2.32558
14 1KUV CA5 0.0000417 0.52937 2.41546
15 3CZ7 ACO 0.002568 0.4375 2.55319
16 3B9Q MLI 0.02762 0.41418 2.55319
17 2ZCQ B65 0.0261 0.40777 2.55319
18 3VZS NAP 0.03647 0.40216 2.55319
19 1GHE ACO 0.00001178 0.54148 2.82486
20 2B4B COA 0.0008565 0.42166 2.92398
21 2B4D COA 0.0077 0.40722 2.92398
22 2ZPA ACO 0.00001789 0.53091 2.97872
23 3TO7 COA 0.00003699 0.52078 2.97872
24 3BIY 01K 0.0003706 0.4728 2.97872
25 4UWJ 7L5 0.02065 0.42587 2.97872
26 4UWJ MYA 0.02065 0.42587 2.97872
27 5U97 PIT 0.006357 0.40893 2.97872
28 3CV7 NAP 0.02611 0.40321 2.97872
29 3CV7 C2U 0.02731 0.40321 2.97872
30 4KVX ACO 0.0000001021 0.64127 3.20513
31 1U72 NDP 0.01958 0.42035 3.22581
32 1U72 MTX 0.01958 0.42035 3.22581
33 5GK9 ACO 0.00005032 0.51851 3.26087
34 2ZFN ACO 0.0005184 0.46794 3.40426
35 3B9Z CO2 0.005214 0.45396 3.40426
36 1IID NHM 0.01516 0.41668 3.40426
37 4ONT SIA GAL BGC 0.01181 0.41355 3.40426
38 2JEV NHQ 0.01198 0.43739 3.44828
39 3SJK LYS PRO VAL LEU ARG THR ALA 0.02287 0.40434 3.68421
40 4MSG 2C6 0.01745 0.40863 3.68664
41 3KL3 GCU 0.01074 0.41619 3.82979
42 5U83 ZN8 0.01792 0.40418 3.82979
43 2WPX ACO 0.002869 0.42257 3.83481
44 4U9W COA 0.000002958 0.48681 3.86473
45 1M4I KAN 0.0008241 0.4747 3.8674
46 1M4I PAP 0.0008241 0.4747 3.8674
47 1M4I COA 0.0008241 0.4747 3.8674
48 4H6U ACO 0.0009929 0.44942 4
49 2VEZ G6P 0.00001995 0.54277 4.21053
50 2VEZ ACO 0.0000281 0.534 4.21053
51 2Z9I GLY ALA THR VAL 0.01375 0.41656 4.25532
52 2BL9 CP6 0.01801 0.41008 4.25532
53 1IYK MYA 0.01406 0.40972 4.25532
54 4L3L 5FI 0.01253 0.40961 4.25532
55 3A7R LAQ 0.009984 0.42141 4.68085
56 4Z2S NAG 0.02938 0.40112 4.92958
57 4Z2S NDG 0.02938 0.40112 4.92958
58 3CR3 ADP 0.00919 0.4019 4.95868
59 3S7O LBV 0.01425 0.40944 5.10638
60 4C12 ADP 0.04305 0.40368 5.10638
61 1DR1 NAP 0.02307 0.40583 5.29101
62 3R96 ACO 0.0000519 0.53248 5.31915
63 3R96 AMP 0.0000519 0.53248 5.31915
64 1VBJ NAP 0.009166 0.41467 5.53191
65 1ZGD NAP 0.01108 0.41213 5.53191
66 1UKZ ADP 0.02361 0.40012 5.91133
67 2WPW ACO 0.00681 0.40374 5.95745
68 1YRE COA 0.0002724 0.46817 6.09137
69 1WWZ ACO 0.0000006519 0.60851 6.28931
70 3ITJ FAD 0.008954 0.43586 6.38298
71 5KOR GDP 0.004517 0.4177 6.80851
72 4UP3 FAD 0.02016 0.41153 6.80851
73 1N71 COA 0.005385 0.41424 7.22222
74 1LQA NDP 0.0137 0.4137 7.23404
75 5JKG 6LF 0.0248 0.40331 7.23404
76 1D4D FAD 0.02232 0.41198 8.51064
77 1F0X FAD 0.03018 0.40107 8.51064
78 4UA3 COA 0.00007696 0.46188 8.76289
79 2Q4V ACO 0.000002572 0.57639 8.82353
80 2VBQ BSJ 0.0000002864 0.63749 8.93617
81 2B6N ALA PRO THR 0.02192 0.41301 8.99281
82 1QSR ACO 0.00001409 0.54009 9.25926
83 4K30 NLG 0.0002103 0.442 10
84 5GVR LMR 0.01104 0.42969 11.5385
85 2CNT COA 0.00000004941 0.65049 13.125
86 1QSM ACO 0.000000142 0.63462 13.8158
87 3D2M COA 0.00002213 0.53886 14.0426
88 3TDC 0EU 0.01319 0.45689 14.0426
89 2Y69 CHD 0.009245 0.41812 14.2857
90 2VZZ SCA 0.0001003 0.50808 16.055
91 4PSW COA 0.006396 0.40495 17.0213
92 1I1D COA 0.00004798 0.51351 17.3913
93 1I1D 16G 0.0001421 0.50419 17.3913
94 1S7N COA 0.0003237 0.46938 17.5824
95 4C2X NHW 0.006359 0.43509 23.8298
96 2YNE NHW 0.01955 0.43583 25.5319
97 2YNE YNE 0.01955 0.43583 25.5319
98 2YNC YNC 0.005101 0.43545 25.5319
Pocket No.: 2; Query (leader) PDB : 2FT0; 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: 2ft0.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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