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Receptor
PDB id Resolution Class Description Source Keywords
4B5P 1.6 Å EC: 2.3.1.108 CRYSTAL STRUCTURE OF HUMAN ALPHA TUBULIN ACETYLTRANSFERASE CATALYTIC DOMAIN Q58A VARIANT HOMO SAPIENS TRANSFERASE LYSINE ACETYLTRANSFERASE ACETYL COA TUBULIN MICROTUBULES CILIUM INTRAFLAGELLAR TRANSPORT
Ref.: ATOMIC RESOLUTION STRUCTURE OF HUMAN ALPHA-TUBULIN ACETYLTRANSFERASE BOUND TO ACETYL-COA. PROC.NATL.ACAD.SCI.USA V. 109 19649 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACO A:1197;
B:1197;
Valid;
Valid;
none;
none;
submit data
809.571 C23 H38 N7 O17 P3 S CC(=O...
NA A:401;
B:401;
Invalid;
Invalid;
none;
none;
submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4B5P 1.6 Å EC: 2.3.1.108 CRYSTAL STRUCTURE OF HUMAN ALPHA TUBULIN ACETYLTRANSFERASE CATALYTIC DOMAIN Q58A VARIANT HOMO SAPIENS TRANSFERASE LYSINE ACETYLTRANSFERASE ACETYL COA TUBULIN MICROTUBULES CILIUM INTRAFLAGELLAR TRANSPORT
Ref.: ATOMIC RESOLUTION STRUCTURE OF HUMAN ALPHA-TUBULIN ACETYLTRANSFERASE BOUND TO ACETYL-COA. PROC.NATL.ACAD.SCI.USA V. 109 19649 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4B5P - 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 2 families.
1 4B5P - 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 2 families.
1 4B5P - 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 : 4B5P; Ligand: ACO; Similar sites found with APoc: 307
This union binding pocket(no: 1) in the query (biounit: 4b5p.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 2D2F ADP None
2 1HBK MYR None
3 2IL4 COA None
4 1H0A I3P None
5 2WOR 2AN None
6 3GD8 GOL None
7 2NCD ADP None
8 1MID LAP None
9 6EVN PRO PRO GLY PRO ALA GLY PRO PRO GLY None
10 2GUC MAN None
11 2HYR BGC GLC None
12 1LVG ADP None
13 2O66 FLC None
14 2NUO BGC None
15 1I1D COA 1.24224
16 1I1D 16G 1.24224
17 1M1B SPV 1.5
18 6A20 ADP 1.5
19 5Y0T TAT 1.5
20 5U32 GDP 1.5
21 1XX6 ADP 1.57068
22 1UCD U5P 1.57895
23 1N71 COA 1.66667
24 2P39 SCR 1.93548
25 2FT0 ACO 2
26 4WZ6 ATP 2
27 2PZE ATP 2
28 1IID NHM 2
29 4WGF HX2 2
30 1FX8 BOG 2
31 1R0X ATP 2
32 3EC1 GDP 2
33 4A7W GTP 2
34 3H4S ADP 2
35 4FRZ ADP 2
36 5WXU FLC 2
37 3BPX SAL 2.02703
38 1J6W MET 2.28571
39 4KOT CE3 2.46914
40 2CNT COA 2.5
41 2YNE YNE 2.5
42 2YNE NHW 2.5
43 5XJ7 87O 2.5
44 2ZW5 COA 2.5
45 4TV1 36M 2.5
46 2YNC YNC 2.5
47 5EE7 5MV 2.5
48 4K10 NI9 2.5
49 4OE4 NAD 2.5
50 5JPH COA 2.77778
51 4KFU ACP 2.83019
52 4R57 ACO 2.84091
53 4R2I ANP 2.85714
54 2VWA PTY 2.9703
55 2GWH PCI 3
56 4AVB ACO 3
57 5TVJ COA 3
58 5TVJ 7LF 3
59 3D2M COA 3
60 1G6H ADP 3
61 2Y65 ADP 3
62 5E5U MLI 3
63 1KSK URA 3
64 4NTO 1PW 3
65 6BR9 PGV 3
66 6BR9 6OU 3
67 1SKQ GDP 3
68 6BTP E8J 3
69 6BR8 PGV 3
70 4V1F BQ1 3.48837
71 5HGZ ACO 3.5
72 5HH0 COA 3.5
73 2HHP FLC 3.5
74 1NF8 BOG 3.5
75 2ZFN ACO 3.5
76 4U9W COA 3.5
77 3HP9 CF1 3.5
78 1XP8 AGS 3.5
79 5OSW DIU 3.5
80 2JC9 ADN 3.5
81 3CZ7 ACO 3.5
82 3TBK ANP 3.5
83 4KGM ATP 3.5
84 1XMV ADP 3.5
85 5YT0 GDP 3.5
86 4PYA 2X3 3.72671
87 4RI1 ACO 3.76344
88 1GHE ACO 3.9548
89 4URN NOV 4
90 1V0C KNC 4
91 1V0C ACO 4
92 4PPF FLC 4
93 2CBZ ATP 4
94 1TV5 N8E 4
95 5C1M OLC 4
96 4G86 BNT 4
97 3PMA SCR 4
98 1B0U ATP 4
99 3BIY 01K 4
100 2X7I CIT 4
101 4LOC OXM 4
102 4DE3 DN8 4
103 1EQ2 ADQ 4
104 3W68 4PT 4
105 3FAL REA 4
106 5LKT BCO 4
107 5ZXD ATP 4
108 4QM7 GTP 4.09357
109 4CRZ ACO 4.1958
110 5ARK UMP 4.47761
111 1RRC ADP 4.5
112 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 4.5
113 2XT3 ADP 4.5
114 5VLQ ANP 4.5
115 5Y0Q APC 4.5
116 1ZGS XMM 4.5
117 4YMU ATP 4.5
118 3DC4 ADP 4.5
119 1RJW ETF 4.5
120 4B47 GDP 4.5
121 6EGU 43Y 4.5
122 4J0Q GDP 4.5
123 1I4D GDP 4.5
124 3BOS CDP 4.5
125 5YGE ACO 4.5977
126 5YGE GLU 4.5977
127 1BO4 COA 4.7619
128 2JDC CAO 4.79452
129 5FVJ ACO 4.81928
130 5KAX RHQ 4.81928
131 1KUV CA5 5
132 2WSA 646 5
133 2WSA MYA 5
134 3F8K COA 5
135 3E70 GDP 5
136 6BWL UDP 5
137 2W58 ADP 5
138 4OKD GLC GLC GLC 5
139 5TSH ADP 5
140 2ZR9 DTP 5
141 4RYV ZEA 5.16129
142 4R3L COA 5.20231
143 2ACO VCA 5.20231
144 4UAP NGA 5.26316
145 5KTC FUH 5.31915
146 5KTC COA 5.31915
147 2VBQ BSJ 5.45455
148 1JJ7 ADP 5.5
149 1YQT ADP 5.5
150 5YV5 ADP 5.5
151 3DBX PLM 5.5
152 2VVG ADP 5.5
153 3BMN AX3 5.5
154 4ZBR NPS 5.5
155 1QPB PYM 5.5
156 2Q8G AZX 5.5
157 5VKM GAL SIA 5.5
158 3P13 RIP 5.55556
159 5Y02 HBX 5.60748
160 6G96 ACO 5.68182
161 4KVX ACO 5.76923
162 5H86 BCO 5.95238
163 2ZPA ACO 6
164 6CB2 OLC 6
165 5LX9 OLB 6
166 3SXN COA 6
167 3TDC 0EU 6
168 4U00 ADP 6
169 2FAH MLA 6
170 5UC4 83S 6
171 3WIR BGC 6
172 1CJW COT 6.0241
173 1S7N COA 6.04396
174 1RE0 GDP 6.09756
175 1NU4 MLA 6.18557
176 3R96 ACO 6.38298
177 3R96 AMP 6.38298
178 1BOB ACO 6.5
179 5CX6 CDP 6.5
180 3RC3 ANP 6.5
181 4YJ1 ADP 6.5
182 1U0J ADP 6.5
183 3B5J 12D 6.5
184 5X3R 7Y3 6.5
185 1GXU 2HP 6.59341
186 3ZJ0 ACO 6.79612
187 1YC4 43P 6.81818
188 4PSW COA 7
189 1P0H COA 7
190 1P0H ACO 7
191 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 7
192 1SJD NPG 7
193 2BHW NEX 7
194 3W5J GDP 7
195 1G8S MET 7
196 2GKS ADP 7
197 6BXL SAM 7
198 5N26 73M 7.14286
199 2PHF MAN MAN 7.14286
200 1M4I PAP 7.18232
201 1M4I COA 7.18232
202 1M4I KAN 7.18232
203 1PUA COA 7.36196
204 1QSR ACO 7.40741
205 1QSN COA 7.40741
206 1Q2D COA 7.40741
207 1Q2C COA 7.40741
208 5MU6 KFK 7.5
209 5MU6 MYA 7.5
210 3PA8 621 7.5
211 5UIV ADP 7.5
212 5AZC PGT 7.5
213 2R42 FPS 7.5
214 3B6C SDN 7.5
215 1YRE COA 7.61421
216 1QSM ACO 7.89474
217 2WPX ACO 7.9646
218 2WPW ACO 7.9646
219 4C2X NHW 8
220 5XQL C2E 8
221 2AWN ADP 8
222 2AF6 FAD 8
223 3W54 RNB 8
224 3NHB ADP 8
225 1IYK MYA 8
226 6DIO CIT 8
227 2DQA NAG NAG NAG 8.06452
228 5XXS COA 8.33333
229 4QC6 30N 8.37989
230 3TE4 ACO 8.5
231 4F06 PHB 8.5
232 5WL1 D3D 8.5
233 5WL1 CUY 8.5
234 2Q4G CIT 8.52713
235 2B4D COA 8.77193
236 2B4B COA 8.77193
237 4NSQ COA 9
238 2VZZ SCA 9
239 2OG2 MLI 9
240 5IM3 DTP 9
241 3B9Q MLI 9
242 2CDN ADP 9
243 2JEV NHQ 9.1954
244 3WR7 COA 9.41177
245 1JGS SAL 9.42029
246 4UWJ 7L5 9.5
247 4UWJ MYA 9.5
248 1JI0 ATP 9.5
249 1T5C ADP 9.5
250 4YSX E23 9.5
251 4LY9 S6P 9.5
252 4LY9 1YY 9.5
253 5W7B MYR 9.92908
254 3TO7 COA 10
255 4RW3 TDA 10
256 4RW3 PLM 10
257 4OGQ 7PH 10
258 3LRE ADP 10
259 6A5Y 9CR 10
260 2ASF CIT 10.219
261 1S14 NOV 10.3093
262 1T0S BML 10.4651
263 2Z9I GLY ALA THR VAL 10.5
264 1R6N 434 10.5
265 1GNI OLA 10.5
266 4ZNO SUC 10.5
267 1U25 IHS 10.5
268 2D5X L35 10.6383
269 1WWZ ACO 10.6918
270 1CM0 COA 10.7143
271 4UA3 COA 10.8247
272 1TIQ COA 11.1111
273 5LWY OLB 11.215
274 4XPL ACO 11.6564
275 5OCA 9QZ 11.6667
276 6BYF CIT 11.7647
277 6BVJ EAS 11.976
278 6BVL EBY 11.976
279 6BVI EC4 11.976
280 4V3I ASP LEU THR ARG PRO 12
281 1C3M MAN MAN 12.2449
282 1DTL BEP 12.4224
283 5KF9 ACO 12.5
284 5KF9 COA 12.5
285 5KF9 NAG 12.5
286 5IJJ I6P 12.5
287 5GK9 ACO 13
288 3EHH ADP 13
289 2WHX ADP 13
290 4AG5 ADP 13.5
291 2Y69 CHD 14.2012
292 6EDV COA 14.433
293 2BCG GER 14.5
294 5LS7 ACO 14.6341
295 6BA2 7KM 15
296 5K04 COA 15
297 1OXV ANP 15
298 2Q4V ACO 15.8824
299 5Z84 CHD 16.3265
300 5ZCO CHD 16.3265
301 5W97 CHD 16.3265
302 3KC1 2T6 17.5
303 3HRD NIO 18.125
304 1HK8 DGT 19
305 4AG9 COA 21.8182
306 3K9U ACO 22.6415
307 1F9V ADP 33
Pocket No.: 2; Query (leader) PDB : 4B5P; Ligand: ACO; Similar sites found with APoc: 38
This union binding pocket(no: 2) in the query (biounit: 4b5p.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 5TVI MYR None
2 3KPE TM3 None
3 1U9L ASN ARG PRO ILE LEU SER LEU None
4 2NU5 NAG None
5 5VM0 9EG None
6 3DUV KDO 2
7 5NM7 GLY 2.5
8 3BP1 GUN 2.5
9 3BRE C2E 2.5
10 1UBY DMA 2.5
11 3AI3 SOE 3
12 6F3G CJN 3
13 4NV0 MG7 3.5
14 5OSW AE4 3.5
15 1Z42 FMN 4
16 2RBK VN4 4
17 5AX9 4KT 4
18 4HY1 19X 4
19 1U6R IOM 4
20 4Q0A 4OA 4.5
21 3B6R CRN 5
22 2F6U CIT 5
23 1VRP IOM 5
24 4ETZ C2E 5.5
25 2Z3U CRR 6.35294
26 4G0P U5P 6.80272
27 3A4M ADP 6.92308
28 2GND MAN MMA 7.14286
29 4JIE BMA 7.5
30 4TR9 38D 9
31 2GNK ATP 9.82143
32 5U83 ZN8 10
33 2V5E SCR 11.8812
34 4ONT SIA GAL BGC 12
35 1JOC ITP 12
36 1VBH PEP 16.5
37 4I67 G G G RPC 17.2414
38 3EHG ATP 20.3125
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