2026-02-07_00000128|ligand|9OOA

Crystal structure of MYST acetyltransferase domain in complex with inhibitor 7; X-ray diffraction 1.39Å
Protein #1 295 residues (90% resolved)

MGSSHHHHHHSSGLVPRGSTKVKYVDKIHIGNYEIDAWYFSPFPEDYGKQPKLWLCEYCLKYMKYEKSYRFHLGQCQWRQPPGKEIYRKSNISVHEVDGKDHKIYCQNLCLLAKLFLDH(ALY)TLYFDVEPFVFYILTEVDRQGAHIVGYFSKEKESPDGNNVSCIMILPPYQRRGYGRFLIAFSYELSKLESTVGSPEKPLSDLGKLSYRSYWSSVLLENLRDFRGTLSIKDLSQMTSITQNDIISTLQSLNMVKYWKGQHVICVTPKLVEEHLKSAQYKKPPITVDSVCLKWAPPK

MGSSHHHHHHSSGLVPRGSTKVKYVDKIHIGNYEIDAWYFSPFPEDYGKQPKLWLCEYCLKYMKYEKSYRFHLGQCQWRQPPGKEIYRKSNISVHEVDGKDHKIYCQNLCLLAKLFLDHKTLYFDVEPFVFYILTEVDRQGAHIVGYFSKEKESPDGNNVSCIMILPPYQRRGYGRFLIAFSYELSKLESTVGSPEKPLSDLGKLSYRSYWSSVLLENLRDFRGTLSIKDLSQMTSITQNDIISTLQSLNMVKYWKGQHVICVTPKLVEEHLKSAQYKKPPITVDSVCLKWAPPK
Non polymer #2 A1CD3

InChI=1S/C18H23N5O4S/c1-26-15-10-13(12-23-9-5-8-19-23)11-16-17(15)18(20-27-16)22-28(24,25)21-14-6-3-2-4-7-14/h5,8-11,14,21H,2-4,6-7,12H2,1H3,(H,20,22)

COc1cc(cc2c1c(no2)NS(=O)(=O)NC3CCCCC3)Cn4cccn4
Non polymer #3 A1CD4

InChI=1S/C18H25N5O4S/c1-27-16-11-13(12-23-9-5-8-20-23)10-15(24)17(16)18(19)22-28(25,26)21-14-6-3-2-4-7-14/h5,8-11,14,21,24H,2-4,6-7,12H2,1H3,(H2,19,22)

[H]/N=C(\c1c(cc(cc1OC)Cn2cccn2)O)/NS(=O)(=O)NC3CCCCC3
Non polymer #4 CL

InChI=1S/ClH/h1H/p-1

[Cl-]
Non polymer #5 NA

InChI=1S/Na/q+1

[Na+]
Non polymer #6 ZN

InChI=1S/Zn/q+2

[Zn+2]
Download coordinates
Reference