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Receptor
PDB id Resolution Class Description Source Keywords
4KVX 2 Å EC: 2.3.1.88 CRYSTAL STRUCTURE OF NAA10 (ARD1) BOUND TO ACCOA SCHIZOSACCHAROMYCES POMBE ACETYLTRANSFERASE TRANSFERASE
Ref.: MOLECULAR BASIS FOR N-TERMINAL ACETYLATION BY THE HETERODIMERIC NATA COMPLEX. NAT.STRUCT.MOL.BIOL. V. 20 1098 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACO B:201;
A:201;
Valid;
Valid;
none;
none;
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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
4KVX 2 Å EC: 2.3.1.88 CRYSTAL STRUCTURE OF NAA10 (ARD1) BOUND TO ACCOA SCHIZOSACCHAROMYCES POMBE ACETYLTRANSFERASE TRANSFERASE
Ref.: MOLECULAR BASIS FOR N-TERMINAL ACETYLATION BY THE HETERODIMERIC NATA COMPLEX. NAT.STRUCT.MOL.BIOL. V. 20 1098 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4KVX - 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 1 families.
1 4KVX - 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 1 families.
1 4KVX - 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 : 4KVX; Ligand: ACO; Similar sites found with APoc: 321
This union binding pocket(no: 1) in the query (biounit: 4kvx.bio2) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 2WPX ACO None
2 2WPW ACO None
3 1TIQ COA None
4 1V0C KNC None
5 1V0C ACO None
6 1GXU 2HP None
7 4CRZ ACO None
8 5LS7 ACO None
9 2IL4 COA None
10 2D2F ADP None
11 4U00 ADP None
12 2OG2 MLI None
13 1RRC ADP None
14 3B9Q MLI None
15 1JI0 ATP None
16 2B99 RDL None
17 4YMU ATP None
18 4U9W COA None
19 4WQ2 3SU None
20 4F4S EFO None
21 1FZQ GDP None
22 2HT6 GDP None
23 4I67 G G G RPC None
24 3CNL GNP None
25 2CHT TSA None
26 2WG9 OCA None
27 1Z0A GDP None
28 1KY3 GDP None
29 1JJV ATP None
30 2CJW GDP None
31 3W6G FLC None
32 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA None
33 2X77 GDP None
34 4K30 NLG None
35 1I4D GDP 1.28205
36 6BR8 6OU 1.28205
37 1O5O U5P 1.28205
38 1M7G AV2 1.28205
39 4L80 OXL 1.28205
40 1F6B GDP 1.28205
41 3R96 AMP 1.92308
42 3R96 ACO 1.92308
43 4NTO 1PW 1.92308
44 1RL4 BL5 1.92308
45 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 1.92308
46 4QM7 GTP 1.92308
47 1FX8 BOG 1.92308
48 1MKY GDP 1.92308
49 1YZG GDP 1.92308
50 1QSM ACO 1.97368
51 1JGS SAL 2.17391
52 5HGZ ACO 2.5641
53 5HH0 COA 2.5641
54 4QC6 30N 2.5641
55 1M4I KAN 2.5641
56 1M4I COA 2.5641
57 4AVB ACO 2.5641
58 1M4I PAP 2.5641
59 1JJ7 ADP 2.5641
60 3CZ7 ACO 2.5641
61 3NHB ADP 2.5641
62 5KTC FUH 2.5641
63 5KTC COA 2.5641
64 4B47 GDP 2.5641
65 1S9D GDP 2.5641
66 4IEE AGS 2.5641
67 5OF1 SAL 2.5641
68 1G16 GDP 2.5641
69 3KJI ADP 2.5641
70 3AQ4 GDP 2.5641
71 2Q4V ACO 3.20513
72 1I1D COA 3.20513
73 1I1D 16G 3.20513
74 2FT0 ACO 3.20513
75 5GVR LMR 3.20513
76 2VZZ SCA 3.20513
77 3B5J 12D 3.20513
78 1LVG ADP 3.20513
79 3DC4 ADP 3.20513
80 5M04 GDP 3.20513
81 2WJG GDP 3.20513
82 5UIV ADP 3.20513
83 3HYW DCQ 3.20513
84 4YJ1 ADP 3.20513
85 1DS6 GDP 3.20513
86 3Q72 GNP 3.20513
87 3HQP FDP 3.20513
88 4RZ3 ADP 3.20513
89 5B0I BOG 3.20513
90 3IIJ ADP 3.20513
91 4BQS ADP 3.20513
92 2IS6 ADP 3.20513
93 2WSA MYA 3.84615
94 2WSA 646 3.84615
95 4PPF FLC 3.84615
96 4UWJ MYA 3.84615
97 4UWJ 7L5 3.84615
98 2AWN ADP 3.84615
99 2CBZ ATP 3.84615
100 1YRE COA 3.84615
101 2PZE ATP 3.84615
102 5YV5 ADP 3.84615
103 4WZ6 ATP 3.84615
104 4L77 CNL 3.84615
105 1T5C ADP 3.84615
106 2VVG ADP 3.84615
107 3O01 DXC 3.84615
108 2DPY ADP 3.84615
109 1YQT ADP 3.84615
110 2ZR9 DTP 3.84615
111 1U0J ADP 3.84615
112 2Y7P SAL 3.84615
113 5OSW DIU 3.84615
114 4NZ6 DGL 3.84615
115 2O1V ADP 3.84615
116 5OSW AE4 3.84615
117 4R98 GNH 3.84615
118 4YDS ATP 3.84615
119 5YT0 GDP 3.84615
120 1R0X ATP 3.84615
121 3ITJ CIT 3.84615
122 5WL1 CUY 3.84615
123 5WL1 D3D 3.84615
124 4LYA ATP 3.84615
125 3EZ2 ADP 3.84615
126 6FS0 E4W 3.84615
127 3LN9 FLC 4.31655
128 5H86 BCO 4.48718
129 4RI1 ACO 4.48718
130 6G96 ACO 4.48718
131 4C2X NHW 4.48718
132 5MU6 MYA 4.48718
133 5MU6 KFK 4.48718
134 5LX9 OLB 4.48718
135 2ZFN ACO 4.48718
136 1B0U ATP 4.48718
137 1GOJ ADP 4.48718
138 3COB ADP 4.48718
139 1XX6 ADP 4.48718
140 4AG5 ADP 4.48718
141 4E03 ADP 4.48718
142 4FRZ ADP 4.48718
143 3GD8 GOL 4.48718
144 5CK5 GDP 4.48718
145 2WHX ADP 4.48718
146 3LXR GDP 4.48718
147 4D0N GDP 4.48718
148 5IN3 G1P 4.48718
149 3N5C GDP 4.48718
150 4UA3 COA 5.12821
151 1GHE ACO 5.12821
152 2ZW5 COA 5.12821
153 1BOB ACO 5.12821
154 4H6U ACO 5.12821
155 2HHP FLC 5.12821
156 1IID NHM 5.12821
157 3A4M ADP 5.12821
158 5BU2 ADP 5.12821
159 6GSG RCO 5.12821
160 5ZA2 NXL 5.12821
161 6BMS POV 5.12821
162 2QN6 GDP 5.12821
163 4J0Q GDP 5.12821
164 2BCG GER 5.12821
165 5O74 GDP 5.12821
166 3A1S GDP 5.12821
167 4NB5 2JT 5.12821
168 5FVJ ACO 5.76923
169 5YGE ACO 5.76923
170 1N71 COA 5.76923
171 3D2M COA 5.76923
172 5YGE GLU 5.76923
173 4B5P ACO 5.76923
174 1G6H ADP 5.76923
175 1IYK MYA 5.76923
176 1BG2 ADP 5.76923
177 2GN2 C5P 5.76923
178 1P0H COA 5.76923
179 5A04 BGC 5.76923
180 3PQC GDP 5.76923
181 1P0H ACO 5.76923
182 3LRE ADP 5.76923
183 4AG9 COA 5.76923
184 3MD0 GDP 5.76923
185 4AG9 16G 5.76923
186 4IHQ ADP 5.76923
187 5TB5 GDP 5.76923
188 5AAV GW5 5.76923
189 4CVN ADP 5.83942
190 2WOR 2AN 6
191 5WHU SIA 6.04027
192 3N7S 3N7 6.08696
193 4XPL ACO 6.41026
194 2YNE NHW 6.41026
195 2YNE YNE 6.41026
196 2YNC YNC 6.41026
197 1SVI GDP 6.41026
198 3B6C SDN 6.41026
199 2OBM ADP 6.41026
200 3EC1 GDP 6.41026
201 4V3I ASP LEU THR ARG PRO 6.41026
202 5XK9 GST 6.41026
203 4OGQ 7PH 6.41026
204 4URN NOV 6.41026
205 5ZXD ATP 6.41026
206 5KUT GDP 6.41026
207 2J0V GDP 6.41026
208 3KC1 2T6 6.41026
209 4V03 ADP 6.41026
210 1ZED PNP 6.41026
211 3BOS CDP 6.41026
212 5FJJ MAN 6.41026
213 1MID LAP 6.59341
214 5DQY BEZ 6.66667
215 2JDC CAO 6.84932
216 2ZPA ACO 7.05128
217 1S7N COA 7.05128
218 3RC3 ANP 7.05128
219 2X7I CIT 7.05128
220 4NON GDP 7.05128
221 4DE3 DN8 7.05128
222 4LC1 GDP 7.05128
223 3IUY AMP 7.05128
224 3K9U ACO 7.69231
225 3TE4 ACO 7.69231
226 4PSW COA 7.69231
227 4ONT SIA GAL BGC 7.69231
228 5E5U MLI 7.69231
229 2V7Q ADP 7.69231
230 1SKQ GDP 7.69231
231 3EYK EYK 7.69231
232 5ZQ4 AMP 7.69231
233 2HBL AMP 7.69231
234 2IYL GDP 8.09859
235 3F8K COA 8.33333
236 2W58 ADP 8.33333
237 4R2I ANP 8.33333
238 1M2Z BOG 8.33333
239 3ZIA ADP 8.33333
240 4DKX GDP 8.33333
241 5LXT GDP 8.33333
242 1XMV ADP 8.33333
243 5LXT 7AK 8.33333
244 3ZUY TCH 8.35913
245 1ZHS NAG NAG BMA MAN MAN 8.84956
246 5KF9 ACO 8.97436
247 5KF9 COA 8.97436
248 5KF9 NAG 8.97436
249 5U83 ZN8 8.97436
250 3TK1 GDP 8.97436
251 5U32 GDP 8.97436
252 3NIP 16D 8.97436
253 2CDN ADP 8.97436
254 4C2W ANP 8.97436
255 3ITA AIC 8.97436
256 5YJS SAL 8.97436
257 2PS1 ORO 8.97436
258 5W6Y TRP 9.61539
259 2GKS ADP 9.61539
260 1QHO MAL 9.61539
261 1OXV ANP 9.61539
262 5XXS COA 9.84848
263 5XQL C2E 10.2564
264 5W8E SXZ 10.2564
265 5W8E ADE 10.2564
266 4DCT GDP 10.2564
267 1XP8 AGS 10.2564
268 5GLN XYP XYP XYP 10.2564
269 1CM0 COA 10.8974
270 1QSR ACO 10.8974
271 4NSQ COA 10.8974
272 5GK9 ACO 10.8974
273 5TVJ COA 10.8974
274 5TVJ 7LF 10.8974
275 4R57 ACO 10.8974
276 1Q2D COA 10.8974
277 3SXN COA 10.8974
278 1PUA COA 10.8974
279 1QSN COA 10.8974
280 1Q2C COA 10.8974
281 1XQP 8HG 10.8974
282 2V2G BEZ 10.8974
283 2BHW NEX 10.8974
284 2D5X L35 10.9589
285 1NU4 MLA 11.3402
286 1PVC ILE SER GLU VAL 11.7647
287 4KFU ACP 12.1795
288 5LKT BCO 12.1795
289 2B4B COA 12.8205
290 2B4D COA 12.8205
291 6EDV COA 12.8205
292 2NUN ADP 13.4615
293 5TSH ADP 13.4615
294 5TSH ANP 13.4615
295 1BO4 COA 14.1026
296 3BIY 01K 14.1026
297 2KIN ADP 15.3846
298 2HCJ GDP 16.0256
299 3U6B GDP 16.0256
300 2VBQ BSJ 17.3077
301 3TDC 0EU 17.3077
302 6BA2 7KM 17.3077
303 1J78 OLA 17.3077
304 2Y69 CHD 17.5676
305 5Z84 CHD 17.8571
306 5ZCO CHD 17.8571
307 5W97 CHD 17.8571
308 3ZJ0 ACO 17.9487
309 3TO7 COA 17.9487
310 5JPH COA 19.4444
311 3WR7 COA 20.5128
312 2JEV NHQ 21.1538
313 2CNT COA 24.359
314 1WWZ ACO 24.359
315 1KUV CA5 25
316 1CJW COT 25
317 3KPE TM3 25.4902
318 4KOT CE3 35.2564
319 5L3S G 39.7436
320 5K04 COA 41.0256
321 4R3L COA 46.7949
Pocket No.: 2; Query (leader) PDB : 4KVX; Ligand: ACO; Similar sites found with APoc: 39
This union binding pocket(no: 2) in the query (biounit: 4kvx.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 5URY PAM None
2 5UGW GSH None
3 6CS9 PIO None
4 6CS8 F9Y 1.92308
5 2F2T 5IQ 1.92308
6 2YC5 6BC 2.5641
7 4KVL PLM 3.20513
8 2AJH MET 3.20513
9 2JLD ALA GLY GLY ALA ALA ALA ALA ALA 3.20513
10 4ARE FLC 3.84615
11 1GEG GLC 3.84615
12 5EE7 5MV 3.84615
13 3B99 U51 3.84615
14 2BO4 FLC 3.84615
15 1XPJ TLA 3.96825
16 5EY0 GTP 4.48718
17 2J5V PCA 5.12821
18 3AB4 LYS 5.12821
19 5W7B MYR 5.67376
20 2GWH PCI 5.76923
21 1RJW ETF 5.76923
22 1I0B PEL 5.76923
23 1TZD ADP 6.41026
24 4LOC OXM 6.41026
25 4DDY DN6 7.05128
26 5OLK DTP 7.05128
27 5MVR ADP 7.05128
28 4XFM THE 7.05128
29 6A20 ADP 7.69231
30 5FBK TCR 7.69231
31 3A06 FOM 7.69231
32 2RCA GLY 8.33333
33 3CYI ATP 9.09091
34 1HBK COA 10.1124
35 2BHW XAT 10.8974
36 1N8V BDD 15.1786
37 1SQ5 ADP 19.8718
38 1SW0 PGA 21.1538
39 1S14 NOV 23.0769
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