2026-02-07_00000132
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ligand
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9OOE
Crystal structure of MYST acetyltransferase domain in complex with inhibitor 10d;
X-ray diffraction 2.10Å
Protein #1
295 residues (91% resolved)
Raw Sequence ...
MGSSHHHHHHSSGLVPRGSTKVKYVDKIHIGNYEIDAWYFSPFPEDYGKQPKLWLCEYCLKYMKYEKSYRFHLGQCQWRQPPGKEIYRKSNISVHEVDGKDHKIYCQNLCLLAKLFLDH(ALY)TLYFDVEPFVFYILTEVDRQGAHIVGYFSKEKESPDGNNVSCIMILPPYQRRGYGRFLIAFSYELSKLESTVGSPEKPLSDLGKLSYRSYWSSVLLENLRDFRGTLSIKDLSQMTSITQNDIISTLQSLNMVKYWKGQHVICVTPKLVEEHLKSAQYKKPPITVDSVCLKWAPPK
Canonical Sequence ...
MGSSHHHHHHSSGLVPRGSTKVKYVDKIHIGNYEIDAWYFSPFPEDYGKQPKLWLCEYCLKYMKYEKSYRFHLGQCQWRQPPGKEIYRKSNISVHEVDGKDHKIYCQNLCLLAKLFLDHKTLYFDVEPFVFYILTEVDRQGAHIVGYFSKEKESPDGNNVSCIMILPPYQRRGYGRFLIAFSYELSKLESTVGSPEKPLSDLGKLSYRSYWSSVLLENLRDFRGTLSIKDLSQMTSITQNDIISTLQSLNMVKYWKGQHVICVTPKLVEEHLKSAQYKKPPITVDSVCLKWAPPK
Non polymer #2
A1CDH
InChI=1S/C18H17FN2O4S2/c1-3-25-13-8-11(2)17(19)14(10-13)18(22)20-21-27(23,24)16-9-12-6-4-5-7-15(12)26-16/h4-10,21H,3H2,1-2H3,(H,20,22)
InChI=1S/C18H17FN2O4S2/c1-3-25-13-8-11(2)17(19)14(10-13)18(22)20-21-27(23,24)16-9-12-6-4-5-7-15(12)26-16/h4-10,21H,3H2,1-2H3,(H,20,22)
SMILES: CCOc1cc(c(c(c1)C(=O)NNS(=O)(=O)c2cc3ccccc3s2)F)C
CCOc1cc(c(c(c1)C(=O)NNS(=O)(=O)c2cc3ccccc3s2)F)C
Non polymer #3
CL
InChI=1S/ClH/h1H/p-1
InChI=1S/ClH/h1H/p-1
SMILES: [Cl-]
[Cl-]
Non polymer #4
ZN
InChI=1S/Zn/q+2
InChI=1S/Zn/q+2
SMILES: [Zn+2]
[Zn+2]
Biounit #1
monomer
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Model
Reference
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