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Receptor
PDB id Resolution Class Description Source Keywords
3ZJ0 1.8 Å EC: 2.-.-.- THE HUMAN O-GLCNACASE C-TERMINAL DOMAIN IS A PSEUDO HISTONE ACETYLTRANSFERASE OCEANICOLA GRANULOSUS TRANSFERASE O-GLCNAC HAT HISTONE ACETYLTRANSFERASE OGA HA
Ref.: STRUCTURE OF A BACTERIAL PUTATIVE ACETYLTRANSFERASE THE FOLD OF THE HUMAN O-GLCNACASE C-TERMINAL DOMAIN OPEN BIOL. V. 3130021 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACO A:1205;
 Valid;
 none;
 submit data
809.571 C23 H38 N7 O17 P3 S CC(=O...
CL A:1207;
 Invalid;
 none;
 submit data
35.453 Cl [Cl-]
EDO A:1206;
 Invalid;
 none;
 submit data
62.068 C2 H6 O2 C(CO)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3ZJ0 1.8 Å EC: 2.-.-.- THE HUMAN O-GLCNACASE C-TERMINAL DOMAIN IS A PSEUDO HISTONE ACETYLTRANSFERASE OCEANICOLA GRANULOSUS TRANSFERASE O-GLCNAC HAT HISTONE ACETYLTRANSFERASE OGA HA
Ref.: STRUCTURE OF A BACTERIAL PUTATIVE ACETYLTRANSFERASE THE FOLD OF THE HUMAN O-GLCNACASE C-TERMINAL DOMAIN OPEN BIOL. V. 3130021 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 269 families.
1 3ZJ0 - 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 3ZJ0 - 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 3ZJ0 - 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 : 3ZJ0; Ligand: ACO; Similar sites found with APoc: 261
This union binding pocket(no: 1) in the query (biounit: 3zj0.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 1GXU 2HP None
2 2IL4 COA None
3 2WOR 2AN None
4 4RJD TFP None
5 5NNT DPV None
6 3GD8 GOL None
7 2QQC AG2 None
8 1N13 AG2 None
9 3KPE TM3 None
10 5U32 GDP None
11 3A4M ADP 0.970874
12 2D2F ADP 1.45631
13 3KJI ADP 1.45631
14 3IIJ ADP 1.66667
15 5UGW GSH 1.71429
16 2WPX ACO 1.94175
17 2GWH PCI 1.94175
18 2F7A BEZ 1.94175
19 5M37 9SZ 1.94175
20 4R2I ANP 1.94175
21 3E3U NVC 2.03046
22 2WJG GDP 2.12766
23 4NTO 1PW 2.42718
24 2IYL GDP 2.42718
25 3LGS ADE 2.42718
26 3UEC ALA ARG TPO LYS 2.73973
27 4LYA ATP 2.86225
28 2VVG ADP 2.91262
29 5NM7 GLY 2.91262
30 2OBM ADP 2.91262
31 3COB ADP 2.91262
32 2WW4 ADP 2.91262
33 1TV5 A26 2.91262
34 5CK5 GDP 2.91262
35 1TV5 N8E 2.91262
36 5WL1 CUY 3.0303
37 5WL1 D3D 3.0303
38 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 3.06122
39 4U9W COA 3.39806
40 2BHW NEX 3.39806
41 5ZXD ATP 3.39806
42 1JI0 ATP 3.39806
43 2DPY ADP 3.39806
44 3O01 DXC 3.39806
45 5GLN XYP XYP XYP 3.39806
46 2WTN FER 3.39806
47 3BIY 01K 3.39806
48 1OXV ANP 3.39806
49 2VDY HCY 3.39806
50 5L8L ADP 3.4188
51 5OLZ T4E 3.45622
52 3NJQ NJQ 3.62694
53 6GD6 EVB 3.7037
54 5KTC FUH 3.7234
55 5KTC COA 3.7234
56 2WPW ACO 3.8835
57 1BOB ACO 3.8835
58 5XQL C2E 3.8835
59 4UWJ MYA 3.8835
60 4UWJ 7L5 3.8835
61 4U00 ADP 3.8835
62 1N4K I3P 3.8835
63 2Z8L NAG FUC SIA GAL 3.8835
64 2FAH MLA 3.8835
65 3HQP FDP 3.8835
66 1ZGS XMM 3.8835
67 1YRB GDP 3.8835
68 2W58 ADP 3.9604
69 6ARJ SAH 4.01146
70 6ARJ BW4 4.01146
71 1YRE COA 4.06091
72 6FLZ MMA 4.16667
73 1G6H ADP 4.28016
74 5OCQ CIT 4.36893
75 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 4.36893
76 1GPM CIT 4.36893
77 5NN0 92H 4.36893
78 5OSW DIU 4.36893
79 6CS8 F9Y 4.36893
80 3GJB AKG 4.36893
81 6G5Q EMZ 4.36893
82 4KCT FDP 4.36893
83 1PFK ADP 4.36893
84 5W6Y TRP 4.36893
85 2Q8G AZX 4.36893
86 3N2O AG2 4.36893
87 1SBR VIB 4.5
88 2CJW GDP 4.6875
89 2ZPA ACO 4.85437
90 3D2M COA 4.85437
91 1T3D CYS 4.85437
92 1ZED PNP 4.85437
93 3B6C SDN 4.85437
94 2GKS ADP 4.85437
95 5XK9 GST 4.85437
96 3BJC WAN 4.85437
97 3X01 AMP 4.85437
98 3KC1 2T6 4.85437
99 4ZGM 32M 4.91803
100 5V4R MGT 4.93827
101 4P83 U5P 4.94506
102 2CDN ADP 4.97512
103 2C3H GLC GLC 5.10204
104 1XXA ARG 5.12821
105 1RRC ADP 5.33981
106 1B0U ATP 5.33981
107 2JLD ALA GLY GLY ALA ALA ALA ALA ALA 5.33981
108 5FQK 6NT 5.33981
109 4OPC PGT 5.33981
110 4OPC FDA 5.33981
111 5AJU RP5 5.33981
112 3CV2 COA 5.33981
113 3W5J GDP 5.39216
114 4H6U ACO 5.5
115 1XPJ TLA 5.55556
116 1HBK MYR 5.61798
117 2CBZ ATP 5.82524
118 1T36 ORN 5.82524
119 5A04 BGC 5.82524
120 4YDS ATP 5.82524
121 5NCB JZ3 5.82524
122 5ZI9 FLC 5.82524
123 1V8K ANP 5.82524
124 1YLH PYR 5.82524
125 3AB4 THR 6.17978
126 5JPH COA 6.25
127 3TDC 0EU 6.31068
128 5GVR LMR 6.31068
129 1FM9 570 6.31068
130 5W7B MYR 6.38298
131 4QM7 GTP 6.43275
132 3LN9 FLC 6.47482
133 4CRZ ACO 6.56934
134 4B5P ACO 6.79612
135 3TE4 ACO 6.79612
136 3VPD CIT 6.79612
137 1M4I COA 6.79612
138 1M4I KAN 6.79612
139 6A20 ADP 6.79612
140 1R0X ATP 6.79612
141 1M4I PAP 6.79612
142 2BVE PH5 6.79612
143 4IV9 TSR 6.79612
144 1YBH P22 6.79612
145 1IYK MYA 6.79612
146 4F4S EFO 6.79612
147 5YV5 ADP 7.28155
148 5TVJ 7LF 7.28155
149 2OG2 MLI 7.28155
150 3B9Q MLI 7.28155
151 1YQT ADP 7.28155
152 3LRE ADP 7.28155
153 4ARE FLC 7.28155
154 1G8S MET 7.28155
155 4CVN ADP 7.28155
156 5TVJ COA 7.28155
157 6BA2 7KM 7.76699
158 1JJ7 ADP 7.76699
159 4ONT SIA GAL BGC 7.76699
160 4K30 NLG 7.76699
161 4PSW COA 7.89474
162 4YMU ATP 7.91667
163 4I67 G G G RPC 8.04598
164 2WSA MYA 8.25243
165 2WSA 646 8.25243
166 2YNE NHW 8.25243
167 2YNE YNE 8.25243
168 5TSH ADP 8.25243
169 4KFU ACP 8.25243
170 1HK8 DGT 8.25243
171 6BR8 6OU 8.25243
172 2YNC YNC 8.25243
173 5TSH ANP 8.25243
174 1LVG ADP 8.58586
175 2AWN ADP 8.73786
176 5MU6 KFK 8.73786
177 5MU6 MYA 8.73786
178 2Z3U CRR 8.73786
179 3ZIA ADP 8.73786
180 3EYK EYK 8.73786
181 6EVN PRO PRO GLY PRO ALA GLY PRO PRO GLY 8.82353
182 3R96 AMP 9.04255
183 3R96 ACO 9.04255
184 3TO7 COA 9.2233
185 4C2X NHW 9.2233
186 1IID NHM 9.2233
187 3NHB ADP 9.2233
188 2O1V ADP 9.2233
189 5F1V 3VN 9.2233
190 6BMS POV 9.70874
191 4OGQ 7PH 9.70874
192 1XMV ADP 9.70874
193 4UA3 COA 9.79381
194 1GHE ACO 10.1695
195 2HHP FLC 10.1942
196 3H4S ADP 10.1942
197 4FRZ ADP 10.1942
198 1V0C ACO 10.396
199 1V0C KNC 10.396
200 5XXS COA 10.6061
201 5LX9 OLB 10.6796
202 4AG9 COA 10.6796
203 1Y63 ADP 10.8696
204 1S7N COA 10.989
205 2VZZ SCA 11.165
206 3HRD NIO 11.165
207 1QSM ACO 11.1842
208 6EDV COA 11.3402
209 1NF8 BOG 11.6505
210 3QIN P1Y 12
211 4RI1 ACO 12.1359
212 3TK1 GDP 12.1359
213 4DE2 DN3 12.1359
214 1XP8 AGS 12.1359
215 4DDY DN6 12.1359
216 1N71 COA 12.6214
217 3SXN COA 12.6214
218 6B5K TYD 12.6214
219 4QC6 30N 12.8492
220 2BCG GER 13.1068
221 2B4B COA 13.4503
222 2B4D COA 13.4503
223 5HGZ ACO 13.5922
224 5HH0 COA 13.5922
225 4PPF FLC 13.5922
226 3W9F I3P 13.5922
227 5GK9 ACO 14
228 1W55 GPP 14.0777
229 1QSR ACO 14.1975
230 1Q2D COA 14.1975
231 1QSN COA 14.1975
232 1Q2C COA 14.1975
233 5LS7 ACO 14.6341
234 2JEV NHQ 14.9425
235 2CNT COA 15
236 4AG5 ADP 15.0485
237 2VBQ BSJ 15.1515
238 2Q4V ACO 15.8824
239 1I1D COA 16.1491
240 1I1D 16G 16.1491
241 1WWZ ACO 16.9811
242 2PZE ATP 16.9903
243 4WZ6 ATP 16.9903
244 5YGE ACO 17.2414
245 5YGE GLU 17.2414
246 5K04 COA 17.6471
247 4KVX ACO 17.9487
248 3N7S 3N7 18.2609
249 5H86 BCO 18.4524
250 3G5K BB2 19.1257
251 1Q19 SSC 19.9029
252 1KUV CA5 20.8738
253 1RJW ETF 20.8738
254 5W97 CHD 21.4286
255 5ZCO CHD 21.4286
256 5Z84 CHD 21.4286
257 5TCI MLI 21.8447
258 2V7Q ADP 22.3301
259 4NSQ COA 24.2105
260 1CM0 COA 27.381
261 4R3L COA 28.3237
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