Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T92639 | Target Info | |||
| Target Name | Alpha-tubulin N-acetyltransferase 1 (ATAT1) | ||||
| Synonyms | MEC17; C6orf134; Alpha-TAT; Acetyltransferase mec-17 homolog | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | ATAT1 | ||||
| Biochemical Class | Acetyltransferase ATAT1 family | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Coenzyme A | Ligand Info | |||
| Canonical SMILES | CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O | ||||
| InChI | 1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1 | ||||
| InChIKey | RGJOEKWQDUBAIZ-IBOSZNHHSA-N | ||||
| PubChem Compound ID | 87642 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 4U9Z Structure of the alpha-tubulin acetyltransferase alpha-TAT1/Mec-17 in complex with CoA | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [1] |
| PDB Sequence |
SMEFPFDVDA
9 LFPERITVLD19 QHLRPPARTP34 ARVDLQQQIM44 TIIDELGKAS54 AKAQNLSAPI 64 TSASRMQSNR74 HVVYILKDSS84 GKGAIIGFIK98 VGYKKLFVLD108 DREAHNEVEP 118 LCILDFYIHE128 SVQRHGHGRE138 LFQYMLQKER148 VEPHQLAIDR158 PSQKLLKFLN 168 KHYNLETTVP178 QVNNFVIFEG188 FF
|
|||||
|
|
ALA57
4.237
GLN58
3.061
PHE124
2.938
TYR125
3.427
ILE126
2.855
VAL130
4.677
GLN131
3.185
ARG132
2.494
HIS133
3.235
GLY134
2.715
HIS135
3.778
GLY136
2.777
|
|||||
| PDB ID: 3VWE Crystal structure of alpha-tubulin acetyltransferase domain of human Mec-17 in complex with CoA (P21 form) | ||||||
| Method | X-ray diffraction | Resolution | 1.96 Å | Mutation | No | [2] |
| PDB Sequence |
SMEFPFDVDA
9 LFPERITVLD19 QHLRPPARTP34 ARVDLQQQIM44 TIIDELGKAS54 AKAQNLSAPI 64 TSASRMQSNR74 HVVYILKDSS84 ARAGKGAIIG95 FIKVGYKKLF105 VLDDREAHNE 115 VEPLCILDFY125 IHESVQRHGH135 GRELFQYMLQ145 KERVEPHQLA155 IDRPSQKLLK 165 FLNKHYNLET175 TVPQVNNFVI185 FEGFFA
|
|||||
|
|
ALA57
4.676
GLN58
3.620
LEU122
4.758
ASP123
4.222
PHE124
2.927
TYR125
3.387
ILE126
2.803
VAL130
4.626
GLN131
3.418
ARG132
2.829
HIS133
3.220
GLY134
2.757
HIS135
3.717
|
|||||
| PDB ID: 4U9Y Structure of the alpha-tubulin acetyltransferase alpha-TAT1/Mec-17 in complex with CoA | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [3] |
| PDB Sequence |
GSMEFPFDVD
8 ALFPERITVL18 DQHLRPPARR28 PGTTTPARVD38 LQQQIMTIID48 ELGKASAKAQ 58 NLSAPITSAS68 RMQSNRHVVY78 ILKDAGKGAI93 IGFIKVGYKK103 LFVLDDREAH 113 NEVEPLCILD123 FYIHESVQRH133 GHGRELFQYM143 LQKERVEPHQ153 LAIDRPSQKL 163 LKFLNKHYNL173 ETTVPQVNNF183 VIFEGFFAHQ193
|
|||||
|
|
ALA57
4.165
GLN58
3.195
PHE124
2.696
TYR125
3.434
ILE126
2.835
VAL130
4.774
GLN131
3.320
ARG132
2.666
HIS133
3.207
GLY134
2.692
HIS135
3.670
GLY136
2.738
|
|||||
| PDB ID: 4PK2 tubulin acetyltransferase complex with bisubstrate analog | ||||||
| Method | X-ray diffraction | Resolution | 1.35 Å | Mutation | No | [4] |
| PDB Sequence |
FTMEFPFDVD
8 ALFPERITVL18 DQHLRPPAVD38 LQQQIMTIID48 ELGKASAKAQ58 NLSAPITSAS 68 RMQSNRHVVY78 ILKDSSARPA88 GKGAIIGFIK98 VGYKKLFVLD108 DREAHNEVEP 118 LCILDFYIHE128 SVQRHGHGRE138 LFQYMLQKER148 VEPHQLAIDR158 PSQKLLKFLN 168 KHYNLETTVP178 QVNNFVIFEG188 FFAHQHPP
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .COA or .COA2 or .COA3 or :3COA;style chemicals stick;color identity;select .A:54 or .A:57 or .A:58 or .A:123 or .A:124 or .A:125 or .A:126 or .A:130 or .A:131 or .A:132 or .A:133 or .A:134 or .A:135 or .A:136 or .A:137 or .A:138 or .A:156 or .A:157 or .A:158 or .A:159 or .A:160 or .A:162 or .A:163 or .A:165 or .A:166 or .A:169 or .A:170; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
SER54
4.798
ALA57
3.404
GLN58
3.449
ASP123
4.794
PHE124
2.810
TYR125
2.515
ILE126
2.125
VAL130
4.647
GLN131
3.000
ARG132
1.916
HIS133
3.239
GLY134
2.062
HIS135
3.378
GLY136
2.060
|
|||||
| PDB ID: 4PK3 tubulin acetyltransferase complex with bisubstrate analog | ||||||
| Method | X-ray diffraction | Resolution | 1.35 Å | Mutation | No | [4] |
| PDB Sequence |
FTMEFPFDVD
8 ALFPERITVL18 DQHLRPPAVD38 LQQQIMTIID48 ELGKASAKAQ58 NLSAPITSAS 68 RMQSNRHVVY78 ILKDSSARPA88 GKGAIIGFIK98 VGYKKLFVLD108 DREAHNEVEP 118 LCILDFYIHE128 SVQRHGHGRE138 LFQYMLQKER148 VEPHQLAIDR158 PSQKLLKFLN 168 KHYNLETTVP178 QVNNFVIFEG188 FFAHQHPP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .COA or .COA2 or .COA3 or :3COA;style chemicals stick;color identity;select .A:54 or .A:57 or .A:58 or .A:123 or .A:124 or .A:125 or .A:126 or .A:128 or .A:130 or .A:131 or .A:132 or .A:133 or .A:134 or .A:135 or .A:136 or .A:137 or .A:138 or .A:156 or .A:157 or .A:158 or .A:159 or .A:160 or .A:161 or .A:162 or .A:163 or .A:165 or .A:166 or .A:169 or .A:170; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
SER54
4.454
ALA57
2.689
GLN58
2.669
ASP123
4.102
PHE124
2.366
TYR125
2.549
ILE126
2.114
GLU128
4.621
VAL130
4.662
GLN131
2.305
ARG132
1.120
HIS133
3.246
GLY134
2.046
HIS135
3.445
GLY136
2.039
|
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structure of alpha-TAT1/Mec-17 in complex with CoA | ||||
| REF 2 | Crystal structure of alpha-tubulin acetyltransferase domain of human Mec-17 | ||||
| REF 3 | Structure of the alpha-tubulin acetyltransferase alpha-TAT1/Mec-17 in complex with CoA | ||||
| REF 4 | Molecular basis for age-dependent microtubule acetylation by tubulin acetyltransferase. Cell. 2014 Jun 5;157(6):1405-1415. | ||||
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