2025-03-01_00000049|medium|8S02

BzdNO-benzoyl-CoA complex; X-ray diffraction 1.35Å
Protein #1 447 residues (98% resolved)

MNAMANKYPTEQLKLWGKAKELREQYYMNYARAKEKGGIRWSGSAWALDAIPAGLGEDVYSLTGEPYAAAVAHDRKFAKECMDAAEAYGFARDLCSYMRIYWGGMHLNKYAFGGEFPKPDFVFQTQICCSHSKWYQHVAKEEKIPEFYLDVGVGPYRDMTDARLDYVANQLHDGIAFVEKASGRKFDDELFIKAVKNEMRSTSRWADICALNKVKPAPLDEKTMYSLYVLCTLSKSSQWCADFMDELYEEVKDRVARGIAAVPNEAIRLMTDTQPPWSFLKIFRYLETYGAVSIGSLYTFALEGIWEDKPDGSWGGRTLPWDKGIEINDRDTAVRLYADWNLSKPQWQHFYDPTIKSDMMLRIIKEWQVDGVMLHLNRGCEGLSVGIMENRLAIAKSGTPVMTFEGNMGDEREFDEVRTQARVDAFMEQLGVRRQAASAWSHPQFEK

MNAMANKYPTEQLKLWGKAKELREQYYMNYARAKEKGGIRWSGSAWALDAIPAGLGEDVYSLTGEPYAAAVAHDRKFAKECMDAAEAYGFARDLCSYMRIYWGGMHLNKYAFGGEFPKPDFVFQTQICCSHSKWYQHVAKEEKIPEFYLDVGVGPYRDMTDARLDYVANQLHDGIAFVEKASGRKFDDELFIKAVKNEMRSTSRWADICALNKVKPAPLDEKTMYSLYVLCTLSKSSQWCADFMDELYEEVKDRVARGIAAVPNEAIRLMTDTQPPWSFLKIFRYLETYGAVSIGSLYTFALEGIWEDKPDGSWGGRTLPWDKGIEINDRDTAVRLYADWNLSKPQWQHFYDPTIKSDMMLRIIKEWQVDGVMLHLNRGCEGLSVGIMENRLAIAKSGTPVMTFEGNMGDEREFDEVRTQARVDAFMEQLGVRRQAASAWSHPQFEK
Protein #2 379 residues (99% resolved)

MSDGLFDQFKTWYEKRHDYARDWKVRTGGQVVATMCTYTPEELLIAAGMLPVRVLGAHEPQNVTEPHIFGMFCPFCRDSLAQGLLGRFDYAEGVTLTQSCIQYRQTFGSWRLHVPTVKWDYYVPMPNEVQSPHARKAHYEEVQAFRVFLQTLTGKEITDAMLSDALAVCDENRRLLRELYEYRKAADPKVTGVEALYASLTAQFIDKREHNEMLKKTLAALPNRKVERKTGARFMTIGSENDDIAFMGMVESVGATIVIDDQCSGSRYFWNASKPEGDVIKAIAERYCDRPACPTKDYPAHTRFDHVLGMAKEYNVEGAIFLQQKFCDPHEGDYPDLKRHLEENGIPTLFLEFDITNPIGPFRIRIEAFLETLSEEELF

MSDGLFDQFKTWYEKRHDYARDWKVRTGGQVVATMCTYTPEELLIAAGMLPVRVLGAHEPQNVTEPHIFGMFCPFCRDSLAQGLLGRFDYAEGVTLTQSCIQYRQTFGSWRLHVPTVKWDYYVPMPNEVQSPHARKAHYEEVQAFRVFLQTLTGKEITDAMLSDALAVCDENRRLLRELYEYRKAADPKVTGVEALYASLTAQFIDKREHNEMLKKTLAALPNRKVERKTGARFMTIGSENDDIAFMGMVESVGATIVIDDQCSGSRYFWNASKPEGDVIKAIAERYCDRPACPTKDYPAHTRFDHVLGMAKEYNVEGAIFLQQKFCDPHEGDYPDLKRHLEENGIPTLFLEFDITNPIGPFRIRIEAFLETLSEEELF
Non polymer #3 BJ8

InChI=1S/8Fe.9S

S([Fe]12[S]3[Fe]4[S]1[Fe]5[S]4[Fe]3[S]25)[Fe]67[S]8[Fe]9[S]6[Fe]1[S]9[Fe]8[S]71
Non polymer #4 BYC

InChI=1S/C28H40N7O17P3S/c1-28(2,22(38)25(39)31-9-8-18(36)30-10-11-56-27(40)16-6-4-3-5-7-16)13-49-55(46,47)52-54(44,45)48-12-17-21(51-53(41,42)43)20(37)26(50-17)35-15-34-19-23(29)32-14-33-24(19)35/h3-7,14-15,17,20-22,26,37-38H,8-13H2,1-2H3,(H,30,36)(H,31,39)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t17-,20-,21-,22+,26-/m1/s1

CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4)O
Non polymer #5 SF4

InChI=1S/4Fe.4S

[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
Non polymer #6 TRS

InChI=1S/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2/p+1

C(C(CO)(CO)[NH3+])O
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Reference