2024-02-17_00000102|ligand|8CG5

The ACP crosslinked to the KS of the cercosporin fungal non-reducing polyketide synthase (NR-PKS) CTB1 (SAT-KS:ACP-MAT); Electron microscopy 2.70Å
Protein #1 1304 residues (98% resolved)

MEDGAQMRVVAFGDQTYDCSEAVSQLLRVRDDAIVVDFLERAPAVLKAELARLSSEQQEETPRFATLAELVPRYRAGTLNPAVSQALTCIAQLGLFIRQHSSGQEAYPTAHDSCITGVATGALTAVAVGSASSVTALVPLALHTVAVAVRLGARAWEIGSCLADARRGANGRYASWTSAVGGISPQDLQDRISAYTAEQALASVSVPYLSAAVGPGQSSVSAAPVILDAFLSTLLRPLTTTRLPITAPYHAPHLFTAKDVQHVTDCLPPSEAWPTVRIPIISFSRDEAVSRGASFPAAMSEAVRDCLIRPIALDRMAVSIANHARDLGKDSVLPSPIALSFSDKLGPQVNSHLPGAKAPTPELTSKSIPSAIGAEQQPMAKSPIAILAASGRFPQSSSMDQFWDVLINGVDTHELVPPTRWNAATHVSEDPKAKNVSGTGFGCWLHEAGEFDAAYFNMSPREAPQVDPAQRLALLTATEALEQAGVVPNRTSSTQKNRVGVWYGATSNDWMETNSAQNVDTYFIPGGNRAFIPGRVNYFHKFSGPSYTIDTACSSSLAALHMACNALWRGEVDTAIVGGTNVLTNPDMTAGLDAGHFLSRSGNCKTFDDEADGYCRGEAVVTLILKRLPDAQADKDPIQASILGIATNHSAEAASITRPHAGAQQDLFQQVLTETGLTANDISVCEMHGTGTQAGDSGETTSVVETLAPLNRSGSAVRTTPLYIGAVKSNVGHAESAAGVSSLAKILLMLKHSKIPPHVGIKTKLNHRLPDLAARNTHIARSEVPWPRPKNGKRRVLLNNFSAAGGNTCLVLEDAPEPEDSQEVDPREHHIVALSAKTPDSMVNNLTNMITWIDKHSGDSLATLPQLSYTTTARRVHHRHRAVATGTDLLQIRSSLQEQLDRRVSGERSIPHPPNGPSFVLAFTGQGSAFAGMGVDLYKRFASFRSDIARYDQICEGMSLPSIKAMFEDEKVFSTASPTLQQLTHVCFQMALYRLWKSLGVQAKAVVGHALGEYAALYAAGVLSQSDTLYLVGRRAQLMEKHLSQGTHAMLAVRAKEEAIVAAIDGPPGEAYEFSCRNGEQRNVLGGTVAQIQAAKAALEAKKIRCQYLDTPMAFHTGQVDPILPELLQVAAACSIQDPQIPVISPAYGKVIRSAKDFQPEYFTHHCRSSVNMVDALQSAVEEGLLDKNVIGLEIGPGPVVTQFVKEAVGTTMQTFASINKDKDTWQLMTQALAKFYLAGASVEWSRYHEDFPGAQKVLELPAYGWALKNYWLQYVNDWSLRKGDPAVVVAASAAALEHHHHHH

MEDGAQMRVVAFGDQTYDCSEAVSQLLRVRDDAIVVDFLERAPAVLKAELARLSSEQQEETPRFATLAELVPRYRAGTLNPAVSQALTCIAQLGLFIRQHSSGQEAYPTAHDSCITGVATGALTAVAVGSASSVTALVPLALHTVAVAVRLGARAWEIGSCLADARRGANGRYASWTSAVGGISPQDLQDRISAYTAEQALASVSVPYLSAAVGPGQSSVSAAPVILDAFLSTLLRPLTTTRLPITAPYHAPHLFTAKDVQHVTDCLPPSEAWPTVRIPIISFSRDEAVSRGASFPAAMSEAVRDCLIRPIALDRMAVSIANHARDLGKDSVLPSPIALSFSDKLGPQVNSHLPGAKAPTPELTSKSIPSAIGAEQQPMAKSPIAILAASGRFPQSSSMDQFWDVLINGVDTHELVPPTRWNAATHVSEDPKAKNVSGTGFGCWLHEAGEFDAAYFNMSPREAPQVDPAQRLALLTATEALEQAGVVPNRTSSTQKNRVGVWYGATSNDWMETNSAQNVDTYFIPGGNRAFIPGRVNYFHKFSGPSYTIDTACSSSLAALHMACNALWRGEVDTAIVGGTNVLTNPDMTAGLDAGHFLSRSGNCKTFDDEADGYCRGEAVVTLILKRLPDAQADKDPIQASILGIATNHSAEAASITRPHAGAQQDLFQQVLTETGLTANDISVCEMHGTGTQAGDSGETTSVVETLAPLNRSGSAVRTTPLYIGAVKSNVGHAESAAGVSSLAKILLMLKHSKIPPHVGIKTKLNHRLPDLAARNTHIARSEVPWPRPKNGKRRVLLNNFSAAGGNTCLVLEDAPEPEDSQEVDPREHHIVALSAKTPDSMVNNLTNMITWIDKHSGDSLATLPQLSYTTTARRVHHRHRAVATGTDLLQIRSSLQEQLDRRVSGERSIPHPPNGPSFVLAFTGQGSAFAGMGVDLYKRFASFRSDIARYDQICEGMSLPSIKAMFEDEKVFSTASPTLQQLTHVCFQMALYRLWKSLGVQAKAVVGHALGEYAALYAAGVLSQSDTLYLVGRRAQLMEKHLSQGTHAMLAVRAKEEAIVAAIDGPPGEAYEFSCRNGEQRNVLGGTVAQIQAAKAALEAKKIRCQYLDTPMAFHTGQVDPILPELLQVAAACSIQDPQIPVISPAYGKVIRSAKDFQPEYFTHHCRSSVNMVDALQSAVEEGLLDKNVIGLEIGPGPVVTQFVKEAVGTTMQTFASINKDKDTWQLMTQALAKFYLAGASVEWSRYHEDFPGAQKVLELPAYGWALKNYWLQYVNDWSLRKGDPAVVVAASAAALEHHHHHH
Protein #2 88 residues (86% resolved)

GSHMDPSPNEIGTVWRDALKILSEESGLTDEELTDDTSFADVGVDSLMSLVITSRLRDELDIDFPDRALFEECQTIFDLRKRFSGSTE

GSHMDPSPNEIGTVWRDALKILSEESGLTDEELTDDTSFADVGVDSLMSLVITSRLRDELDIDFPDRALFEECQTIFDLRKRFSGSTE
Non polymer #3 42X

InChI=1S/C14H28N3O8P/c1-4-10(18)15-7-8-16-11(19)5-6-17-13(21)12(20)14(2,3)9-25-26(22,23)24/h12,20H,4-9H2,1-3H3,(H,15,18)(H,16,19)(H,17,21)(H2,22,23,24)/t12-/m0/s1

CCC(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O
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Reference