2024-06-01_00000220|ligand|8YYQ

Structure of the HitB F328L mutant; X-ray diffraction 1.95Å
Protein #1 549 residues (88% resolved)

MNHKVHHHHHHIEGRHMRVISNGRRAARARESVDNLYWFMLAAANSAPDTPAFVTRDGEGGVRTLSYRELRTRVDDFAAALAELGLDVDDRVVLEANVTPDAVAMLLACSLLGLPFIPVSPETPSGRLRSILDTAEPALFAQAEDGGRADVPATVGTARFGAGGLRVERAPRARVRHRREIVGTDTAYIIFTSGTTGRPKGVVMSHRSVVSLYRAILEQGLITPEDRIATTSPLQFDFALFDIGLALGTGAALVPVPREELNWPRRFLAFLGDTGATQVHGVPSIWRPVLRHEPELLAGLDRVRGILFTGEDFPLPELRHLQGLLPHARIVNGYGATESMACSLTEVPRPIPSDLERLSIGFPLPGFDVSLLDEHGRPVEEIGVAGQIHLRAPSMFSGYWDDPEATARVLVSDPLDPRSGRTVLRSGDLAYRGEDGELYFAGRVDAQVQIRGNRVEPGEVERRLLEFPGISAAVALLVPRPGNDPVNHAFVVVEPGGADFDKAKARAFCADTLPGYMIPANIVAVDDIPLTVNGKVDRADLATRVAGPF

MNHKVHHHHHHIEGRHMRVISNGRRAARARESVDNLYWFMLAAANSAPDTPAFVTRDGEGGVRTLSYRELRTRVDDFAAALAELGLDVDDRVVLEANVTPDAVAMLLACSLLGLPFIPVSPETPSGRLRSILDTAEPALFAQAEDGGRADVPATVGTARFGAGGLRVERAPRARVRHRREIVGTDTAYIIFTSGTTGRPKGVVMSHRSVVSLYRAILEQGLITPEDRIATTSPLQFDFALFDIGLALGTGAALVPVPREELNWPRRFLAFLGDTGATQVHGVPSIWRPVLRHEPELLAGLDRVRGILFTGEDFPLPELRHLQGLLPHARIVNGYGATESMACSLTEVPRPIPSDLERLSIGFPLPGFDVSLLDEHGRPVEEIGVAGQIHLRAPSMFSGYWDDPEATARVLVSDPLDPRSGRTVLRSGDLAYRGEDGELYFAGRVDAQVQIRGNRVEPGEVERRLLEFPGISAAVALLVPRPGNDPVNHAFVVVEPGGADFDKAKARAFCADTLPGYMIPANIVAVDDIPLTVNGKVDRADLATRVAGPF
Non polymer #2 A1L0G

InChI=1S/C20H22N8O7S/c21-6-10-2-1-3-11(4-10)12(22)5-14(29)27-36(32,33)34-7-13-16(30)17(31)20(35-13)28-9-26-15-18(23)24-8-25-19(15)28/h1-4,8-9,12-13,16-17,20,30-31H,5,7,22H2,(H,27,29)(H2,23,24,25)/t12-,13+,16+,17+,20+/m0/s1

c1cc(cc(c1)[C@H](CC(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N)C#N
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Reference