Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T23619 | Target Info | |||
| Target Name | Metastasis associated gene-1 (MTA1) | ||||
| Synonyms | Metastasisassociated protein MTA1; Metastasis-associated protein MTA1 | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | MTA1 | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Myo-inositol hexaphosphate | Ligand Info | |||
| Canonical SMILES | C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O | ||||
| InChI | 1S/C6H18O24P6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24) | ||||
| InChIKey | IMQLKJBTEOYOSI-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 890 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 7AO8 Structure of the MTA1/HDAC1/MBD2 NURD deacetylase complex | ||||||
| Method | Electron microscopy | Resolution | 4.50 Å | Mutation | No | [1] |
| PDB Sequence |
GDYVYFENSS
18 SNPYLIRRIE28 ELNKTANGNV38 EAKVVCFYRR48 RDISHQLRHR106 ELFLSRQLES 116 LPATHIRGKC126 SVTLLNETES136 LKSYLEREDF146 FFYSLVYDPQ156 QKTLADGEIR 168 VGNRYQADIT178 DLLKEGEEDG188 RDQSRLETQV198 WEAHNPLTDK208 QIDQFLVVAR 218 SVGTFARALD228 SLHMSAAAAS246 RDITLFHAMD256 TLHKNIYDIS266 KAISALVPQG 276 GPVLCRDEME286 EWSASEANLF296 EEALEKYGKD306 FTDIQQDFLP316 WKSLTSIIEY 326 YYMWKTTDRY336 VQQK
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| PDB ID: 5ICN HDAC1:MTA1 in complex with inositol-6-phosphate and a novel peptide inhibitor based on histone H4 | ||||||
| Method | X-ray diffraction | Resolution | 3.30 Å | Mutation | No | [2] |
| PDB Sequence |
GEIRVGNRYQ
174 ADITDLLKEG184 EEDGRDQSRL194 ETQVWEAHNP204 LTDKQIDQFL214 VVARSVGTFA 224 RALDSLHMSA242 AAASRDITLF252 HAMDTLHKNI262 YDISKAISAL272 VPQGGPVLCR 282 DEMEEWSASE292 ANLFEEALEK302 YGKDFTDIQQ312 DFLPWKSLTS322 IIEYYYMWKT 332 TDRYVQQK
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | The topology of chromatin-binding domains in the NuRD deacetylase complex. Nucleic Acids Res. 2020 Dec 16;48(22):12972-12982. | ||||
| REF 2 | Insights into the activation mechanism of class I HDAC complexes by inositol phosphates. Nat Commun. 2016 Apr 25;7:11262. | ||||
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