2026-06-06_00000197
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ligand
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9V13
Crystal structure of ACAT2 in complex with ZH-2-077;
X-ray diffraction 2.50Å
Protein #1
405 residues (97% resolved)
Raw Sequence ...
MDAGSDPVVIVSAARTIIGSFNGALAAVPVQDLGSTVIKEVLKRATVAPEDVSEVIFGHVLAAGCGQNPVRQASVGAGIPYSVPAWSCQMICGSGLKAVCLAVQSIGIGDSSIVVAGGMENMSKAPHLAYLRTGVKIGEMPLTDSILCDGLTDAFHNCHMGITAENVAKKWQVSREDQDKVAVLSQNRTENAQKAGHFDKEIVPVLVSTRKGLIEVKTDEFPRHGSNIEAMSKLKPYFLTDGTGTVTPANASGINDGAAAVVLMKKSEADKRGLTPLARIVSWSQVGVEPSIMGIGPIPAIKQAVTKAGWSLEDVDIFEINEAFAAVSAAIVKELGLNPEKVNIEGGAIALGHPLGASGCRILVTLLHTLERMGRSRGVAALCIGGGMGIAMCVQRELEHHHHHH
Canonical Sequence ...
MDAGSDPVVIVSAARTIIGSFNGALAAVPVQDLGSTVIKEVLKRATVAPEDVSEVIFGHVLAAGCGQNPVRQASVGAGIPYSVPAWSCQMICGSGLKAVCLAVQSIGIGDSSIVVAGGMENMSKAPHLAYLRTGVKIGEMPLTDSILCDGLTDAFHNCHMGITAENVAKKWQVSREDQDKVAVLSQNRTENAQKAGHFDKEIVPVLVSTRKGLIEVKTDEFPRHGSNIEAMSKLKPYFLTDGTGTVTPANASGINDGAAAVVLMKKSEADKRGLTPLARIVSWSQVGVEPSIMGIGPIPAIKQAVTKAGWSLEDVDIFEINEAFAAVSAAIVKELGLNPEKVNIEGGAIALGHPLGASGCRILVTLLHTLERMGRSRGVAALCIGGGMGIAMCVQRELEHHHHHH
Non polymer #2
A1L9R
InChI=1S/C20H17N5O3S/c26-20(22-11-10-15-4-2-1-3-5-15)16-6-8-17(9-7-16)29(27,28)25-14-24-19-18(25)12-21-13-23-19/h1-9,12-14H,10-11H2,(H,22,26)
InChI=1S/C20H17N5O3S/c26-20(22-11-10-15-4-2-1-3-5-15)16-6-8-17(9-7-16)29(27,28)25-14-24-19-18(25)12-21-13-23-19/h1-9,12-14H,10-11H2,(H,22,26)
SMILES: c1ccc(cc1)CCNC(=O)c2ccc(cc2)S(=O)(=O)n3cnc4c3cncn4
c1ccc(cc1)CCNC(=O)c2ccc(cc2)S(=O)(=O)n3cnc4c3cncn4
Biounit #1
homo-tetramer
Download coordinates
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Model
Reference
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