2026-05-02_00000031
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ligand
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25VX
Crystal Structure of MYST histone acetyltransferase KAT6A in complex with inhibitor Compound 9;
X-ray diffraction 2.29Å
Protein #1
271 residues (98% resolved)
Raw Sequence ...
VKYVDKIHIGNYEIDAWYFSPFPEDYGKQPKLWLCEYCLKYMKYEKSYRFHLGQCQWRQPPGKEIYRKSNISVHEVDGKDHKIYCQNLCLLAKLFLDH(ALY)TLYFDVEPFVFYILTEVDRQGAHIVGYFSKEKESPDGNNVSCIMILPPYQRRGYGRFLIAFSYELSKLESTVGSPEKPLSDLGKLSYRSYWSWVLLENLRDFRGTLSIKDLSQMTSITQNDIISTLQSLNMVKYWKGQHVICVTPKLVEEHLKSAQYKKPPITVDSVCLKWA
Canonical Sequence ...
VKYVDKIHIGNYEIDAWYFSPFPEDYGKQPKLWLCEYCLKYMKYEKSYRFHLGQCQWRQPPGKEIYRKSNISVHEVDGKDHKIYCQNLCLLAKLFLDHKTLYFDVEPFVFYILTEVDRQGAHIVGYFSKEKESPDGNNVSCIMILPPYQRRGYGRFLIAFSYELSKLESTVGSPEKPLSDLGKLSYRSYWSWVLLENLRDFRGTLSIKDLSQMTSITQNDIISTLQSLNMVKYWKGQHVICVTPKLVEEHLKSAQYKKPPITVDSVCLKWA
Non polymer #2
A1MGC
InChI=1S/C24H22N2O6S/c1-29-18-11-6-12-19(30-2)23(18)33(27,28)26-24-21-20(32-25-24)14-17(15-8-4-3-5-9-15)16-10-7-13-31-22(16)21/h3-6,8-9,11-12,14H,7,10,13H2,1-2H3,(H,25,26)
InChI=1S/C24H22N2O6S/c1-29-18-11-6-12-19(30-2)23(18)33(27,28)26-24-21-20(32-25-24)14-17(15-8-4-3-5-9-15)16-10-7-13-31-22(16)21/h3-6,8-9,11-12,14H,7,10,13H2,1-2H3,(H,25,26)
SMILES: COc1cccc(c1S(=O)(=O)Nc2c3c(cc(c4c3OCCC4)c5ccccc5)on2)OC
COc1cccc(c1S(=O)(=O)Nc2c3c(cc(c4c3OCCC4)c5ccccc5)on2)OC
Biounit #1
monomer
Download coordinates
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Model
Reference
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