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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 269 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 237 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 187 families.
1 2FT0 - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ACO; Similar ligands found: 178
No: Ligand ECFP6 Tc MDL keys Tc
1 ACO 1 1
2 3KK 0.9 0.988636
3 CAO 0.898305 0.934066
4 COS 0.898305 0.944444
5 2MC 0.893443 0.945652
6 OXK 0.892562 0.966292
7 MC4 0.887097 0.935484
8 CO6 0.885246 0.988636
9 1VU 0.885246 0.977528
10 CAA 0.879032 0.977273
11 SOP 0.877049 0.966292
12 MLC 0.870968 0.966292
13 BCO 0.870968 0.966292
14 1HE 0.870968 0.966667
15 3HC 0.870968 0.977273
16 IVC 0.870968 0.977273
17 FYN 0.868852 0.965909
18 MCA 0.864 0.977528
19 COO 0.864 0.966292
20 COK 0.861789 0.944444
21 COA 0.857143 0.965909
22 SCA 0.857143 0.966292
23 0T1 0.857143 0.94382
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 BYC 0.850394 0.966292
29 COW 0.850394 0.955556
30 IRC 0.850394 0.977273
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 2NE 0.824427 0.945055
44 1CZ 0.824427 0.955556
45 CO8 0.824427 0.988764
46 FAM 0.822581 0.923077
47 FCX 0.822581 0.913043
48 COF 0.821705 0.923913
49 3CP 0.821705 0.944444
50 2KQ 0.821705 0.988764
51 MYA 0.818182 0.988764
52 ST9 0.818182 0.988764
53 UCC 0.818182 0.988764
54 DCC 0.818182 0.988764
55 MFK 0.818182 0.988764
56 5F9 0.818182 0.988764
57 HAX 0.816 0.923077
58 4CA 0.815385 0.934066
59 7L1 0.814516 1
60 WCA 0.80597 0.945055
61 CS8 0.80597 0.977778
62 SCD 0.804688 0.94382
63 MCD 0.80315 0.966292
64 CA6 0.80315 0.896907
65 HDC 0.8 0.988764
66 4KX 0.8 0.934783
67 CIC 0.796992 0.944444
68 NMX 0.796875 0.875
69 MRR 0.794118 0.988764
70 MRS 0.794118 0.988764
71 4CO 0.791045 0.934066
72 0FQ 0.791045 0.944444
73 CAJ 0.790698 0.944444
74 YNC 0.788321 0.955556
75 DAK 0.788321 0.934783
76 0ET 0.785185 0.966667
77 01A 0.785185 0.904255
78 8Z2 0.782609 0.977778
79 HFQ 0.781022 0.923913
80 1CV 0.779412 0.966292
81 YE1 0.778626 0.933333
82 NHM 0.773723 0.966667
83 UOQ 0.773723 0.966667
84 NHW 0.773723 0.966667
85 CA8 0.766917 0.877551
86 F8G 0.762238 0.946237
87 1HA 0.760563 0.945055
88 NHQ 0.746479 0.955056
89 S0N 0.744526 0.923077
90 CCQ 0.744526 0.945652
91 01K 0.743056 0.966292
92 COT 0.737931 0.944444
93 CA3 0.727891 0.944444
94 UCA 0.721854 0.988764
95 CO7 0.713235 0.966292
96 CA5 0.703947 0.904255
97 93P 0.699346 0.934066
98 COD 0.692913 0.954545
99 93M 0.666667 0.934066
100 4BN 0.656627 0.946237
101 5TW 0.656627 0.946237
102 OXT 0.634731 0.946237
103 HMG 0.62585 0.933333
104 PLM COA 0.61745 0.955556
105 COA PLM 0.61745 0.955556
106 JBT 0.609195 0.926316
107 BSJ 0.594118 0.913979
108 PAP 0.577586 0.784091
109 ASP ASP ASP ILE CMC NH2 0.557576 0.902174
110 PPS 0.53719 0.729167
111 191 0.532895 0.877551
112 RFC 0.53125 0.966667
113 SFC 0.53125 0.966667
114 A3P 0.525862 0.772727
115 ACE SER ASP ALY THR NH2 COA 0.511111 0.923077
116 0WD 0.503497 0.763441
117 PTJ 0.462687 0.842697
118 3AM 0.461538 0.761364
119 3OD 0.451852 0.797753
120 A22 0.450382 0.786517
121 PUA 0.447368 0.793478
122 A2D 0.446281 0.775281
123 PAJ 0.443609 0.853933
124 SAP 0.440945 0.8
125 ATR 0.440945 0.772727
126 AGS 0.440945 0.8
127 OAD 0.437037 0.797753
128 ADP 0.435484 0.795455
129 A2R 0.431818 0.786517
130 BA3 0.427419 0.775281
131 NA7 0.426471 0.829545
132 9X8 0.426471 0.8
133 HEJ 0.425197 0.795455
134 ATP 0.425197 0.795455
135 B4P 0.424 0.775281
136 AP5 0.424 0.775281
137 ADQ 0.422222 0.777778
138 AQP 0.421875 0.795455
139 AR6 0.421875 0.775281
140 5FA 0.421875 0.795455
141 2A5 0.421875 0.818182
142 APR 0.421875 0.775281
143 48N 0.42069 0.802198
144 AN2 0.420635 0.786517
145 FYA 0.42029 0.786517
146 M33 0.417323 0.786517
147 SRP 0.413534 0.808989
148 ANP 0.412214 0.777778
149 YLB 0.412162 0.877778
150 FA5 0.411348 0.788889
151 YLP 0.410959 0.877778
152 ME8 0.410072 0.835165
153 AT4 0.409449 0.808989
154 APU 0.409396 0.76087
155 5AL 0.409091 0.786517
156 7D3 0.408 0.766667
157 F2R 0.407895 0.836957
158 NJP 0.407895 0.78022
159 AD9 0.407692 0.777778
160 25L 0.407143 0.786517
161 7D4 0.40625 0.766667
162 CA0 0.40625 0.777778
163 ATF 0.406015 0.769231
164 A A A 0.405797 0.786517
165 A2P 0.404762 0.761364
166 9ZA 0.404412 0.791209
167 8QN 0.404412 0.786517
168 9ZD 0.404412 0.791209
169 LAQ 0.40411 0.815217
170 NDP 0.403974 0.763441
171 ACP 0.403101 0.797753
172 ACQ 0.401515 0.797753
173 YAP 0.401408 0.78022
174 ATP A A A 0.401408 0.744444
175 TXA 0.4 0.788889
176 NB8 0.4 0.782609
177 PAX 0.4 0.768421
178 1ZZ 0.4 0.855556
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2FT0; Ligand: ACO; Similar sites found with APoc: 181
This union binding pocket(no: 1) in the query (biounit: 2ft0.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 4QC6 30N None
2 1GXU 2HP None
3 5H86 BCO None
4 4MPO AMP None
5 1HBK COA None
6 5JPH COA None
7 2J9D ADP None
8 1BOB ACO 0.851064
9 4RI1 ACO 1.07527
10 5HGZ ACO 1.70213
11 4B5P ACO 2
12 5HH0 COA 2
13 2GWH PCI 2.12766
14 1VDC FAD 2.12766
15 1RL4 BL5 2.12766
16 3TE4 ACO 2.32558
17 1KUV CA5 2.41546
18 3CZ7 ACO 2.55319
19 4V3I ASP LEU THR ARG PRO 2.55319
20 2OG2 MLI 2.55319
21 4DP3 NDP 2.55319
22 3B9Q MLI 2.55319
23 2ZCQ B65 2.55319
24 2ZRU FMN 2.55319
25 3VZS CAA 2.55319
26 3VZS NAP 2.55319
27 3UEC ALA ARG TPO LYS 2.73973
28 1GHE ACO 2.82486
29 2ASF CIT 2.91971
30 2B4B COA 2.92398
31 2B4D COA 2.92398
32 1V0C KNC 2.9703
33 1V0C ACO 2.9703
34 5XQL C2E 2.97872
35 2ZPA ACO 2.97872
36 3TO7 COA 2.97872
37 4UWJ 7L5 2.97872
38 4UWJ MYA 2.97872
39 1J3I NDP 2.97872
40 3BIY 01K 2.97872
41 5U97 PIT 2.97872
42 1YLH PYR 2.97872
43 3ZUY TCH 2.97872
44 3CV7 C2U 2.97872
45 3CV7 NAP 2.97872
46 5A96 GTP 2.97872
47 2WG9 OCA 3.07692
48 4KVX ACO 3.20513
49 1U72 MTX 3.22581
50 1U72 NDP 3.22581
51 5GK9 ACO 3.26087
52 3B9Z CO2 3.40426
53 6BA2 7KM 3.40426
54 1IID NHM 3.40426
55 5DEP UD1 3.40426
56 4ONT SIA GAL BGC 3.40426
57 2ZFN ACO 3.40426
58 2JEV NHQ 3.44828
59 3SJK LYS PRO VAL LEU ARG THR ALA 3.68421
60 4MSG 2C6 3.68664
61 5CX6 CDP 3.82979
62 3KL3 GCU 3.82979
63 5U83 ZN8 3.82979
64 2WPX ACO 3.83481
65 4U9W COA 3.86473
66 1M4I PAP 3.8674
67 1M4I KAN 3.8674
68 1M4I COA 3.8674
69 2F7A BEZ 3.87931
70 5XK9 GST 3.87931
71 5XK9 DMA 3.87931
72 4H6U ACO 4
73 2XHK AKG 4.05405
74 5KTC COA 4.25532
75 5KTC FUH 4.25532
76 1PCA CIT 4.25532
77 5JH2 A2P 4.25532
78 2Z9I GLY ALA THR VAL 4.25532
79 2BL9 NDP 4.25532
80 2BL9 CP6 4.25532
81 1IYK MYA 4.25532
82 4L3L 5FI 4.25532
83 5A04 BGC 4.68085
84 3A7R LAQ 4.68085
85 3EYA TDP 4.68085
86 5OLK DTP 4.68085
87 5IM3 DTP 4.68085
88 4Z2S NAG 4.92958
89 4Z2S NDG 4.92958
90 3CR3 ADP 4.95868
91 2CXG GLC GLC 5.10638
92 4OOE NDP 5.10638
93 4OOE FOM 5.10638
94 4C12 ADP 5.10638
95 2GN2 C5P 5.26316
96 1DR1 NAP 5.29101
97 1DR1 HBI 5.29101
98 3R96 AMP 5.31915
99 3R96 ACO 5.31915
100 6CS8 F9Y 5.53191
101 1VBJ NAP 5.53191
102 1ZGD NAP 5.53191
103 1F9V ADP 5.53191
104 1M9H NAD 5.53191
105 4Z87 5GP 5.53191
106 1UKZ ADP 5.91133
107 4A0S NAP 5.95745
108 4JTA NAP 5.95745
109 6F1J EDG 5.95745
110 4EIL NDP 5.95745
111 2WPW ACO 5.95745
112 1YRE COA 6.09137
113 1WWZ ACO 6.28931
114 5YGE GLU 6.32184
115 5YGE ACO 6.32184
116 5TVJ 7LF 6.38298
117 5TVJ COA 6.38298
118 3ITJ FAD 6.38298
119 1RJW ETF 6.38298
120 3A70 NPO 6.38298
121 1QHO MAL 6.38298
122 1R6T TYM 6.38298
123 5K04 COA 6.47059
124 6EDV COA 6.80851
125 5KOR GDP 6.80851
126 4UP3 FAD 6.80851
127 2Y7P SAL 6.88073
128 1N71 COA 7.22222
129 2NUN ADP 7.23404
130 1LQA NDP 7.23404
131 5JKG 6LF 7.23404
132 4AG9 16G 7.27273
133 1V59 FAD 7.65957
134 2IMG MLT 7.94702
135 4BHL ARG 8.08511
136 4P8K FAD 8.08511
137 4P8K 38C 8.08511
138 3RNM FAD 8.08511
139 4JCA CIT 8.38323
140 2OEM 1AE 8.51064
141 1D4D FAD 8.51064
142 1F0X FAD 8.51064
143 4UA3 COA 8.76289
144 2Q4V ACO 8.82353
145 2VBQ BSJ 8.93617
146 2B6N ALA PRO THR 8.99281
147 4USI AKG 9.09091
148 1QSR ACO 9.25926
149 2WSA MYA 9.3617
150 2WSA 646 9.3617
151 4OHU 2TK 9.3617
152 4OHU NAD 9.3617
153 4R3U 5AD 9.49367
154 4K30 NLG 10
155 1NNU TCT 10
156 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 11.4894
157 2JDR L20 11.4894
158 5GVR LMR 11.5385
159 5K0A FAD 11.9149
160 5LX9 OLB 12.3404
161 2CNT COA 13.125
162 1QSM ACO 13.8158
163 3TDC 0EU 14.0426
164 3D2M COA 14.0426
165 6H8S FSZ 14.0426
166 2Y69 CHD 14.2857
167 2VZZ SCA 16.055
168 5LKT BCO 17.0213
169 4PSW COA 17.0213
170 1I1D COA 17.3913
171 1I1D 16G 17.3913
172 1S7N COA 17.5824
173 5EYK 5U5 18.6441
174 5Z84 CHD 19.1489
175 5ZCO CHD 19.1489
176 5MU6 MYA 22.5532
177 5MU6 KFK 22.5532
178 4C2X NHW 23.8298
179 2YNE NHW 25.5319
180 2YNE YNE 25.5319
181 2YNC YNC 25.5319
Pocket No.: 2; Query (leader) PDB : 2FT0; Ligand: ACO; Similar sites found with APoc: 43
This union binding pocket(no: 2) in the query (biounit: 2ft0.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 1M2Z BOG None
2 3A06 NDP 1.70213
3 1R37 NAD 2.12766
4 3BW2 FMN 2.55319
5 1Q9I FAD 2.97872
6 1Q9I TEO 2.97872
7 1T0S BML 2.97872
8 2RCU BUJ 2.97872
9 5N0J FAD 2.97872
10 2RHO GDP 2.97872
11 5BVE 4VG 2.97872
12 3ZLR X0B 3.16456
13 4NTO 1PW 3.38164
14 2XK9 XK9 3.40426
15 5FPE 3TR 3.40426
16 5J60 FAD 3.82979
17 3PMA SCR 3.861
18 1N62 FAD 4.21687
19 4C3Y ANB 4.25532
20 4C3Y FAD 4.25532
21 5OC1 FAD 4.25532
22 3RG9 WRA 5.10638
23 3RG9 NDP 5.10638
24 1XVB BHL 5.31309
25 3KJS DQ1 5.95745
26 5JCA FAD 5.95745
27 2ZL4 ALA ALA ALA ALA 6.63265
28 1OBD AMP 6.80851
29 4M52 M52 6.80851
30 5AE2 FAD 6.80851
31 2ED4 NAD 7.38255
32 5ZM0 FAD 7.65957
33 4FBL SPD 8.08511
34 3EEL 53T 8.81057
35 4M6T SAM 10.3825
36 4JLZ UTP 11.4894
37 1JOC ITP 12.8
38 2Z3U CRR 14.8936
39 1COY AND 14.8936
40 4RUS NAG 15.3191
41 3IES M24 15.3191
42 1EXB NDP 15.534
43 2GAG NAD 18.2979
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