2024-06-01_00000221|ligand|8YYR

Structure of the HitB T293G mutant; X-ray diffraction 1.80Å
Protein #1 549 residues (90% resolved)

MNHKVHHHHHHIEGRHMRVISNGRRAARARESVDNLYWFMLAAANSAPDTPAFVTRDGEGGVRTLSYRELRTRVDDFAAALAELGLDVDDRVVLEANVTPDAVAMLLACSLLGLPFIPVSPETPSGRLRSILDTAEPALFAQAEDGGRADVPATVGTARFGAGGLRVERAPRARVRHRREIVGTDTAYIIFTSGTTGRPKGVVMSHRSVVSLYRAILEQGLITPEDRIATTSPLQFDFALFDIGLALGTGAALVPVPREELNWPRRFLAFLGDTGATQVHGVPSIWRPVLRHEPELLAGLDRVRGILFGGEDFPLPELRHLQGLLPHARIVNGYGATESMACSFTEVPRPIPSDLERLSIGFPLPGFDVSLLDEHGRPVEEIGVAGQIHLRAPSMFSGYWDDPEATARVLVSDPLDPRSGRTVLRSGDLAYRGEDGELYFAGRVDAQVQIRGNRVEPGEVERRLLEFPGISAAVALLVPRPGNDPVLHAFVVVEPGGADFDKAKARAFCADTLPGYMIPANIVAVDDIPLTVNGKVDRADLATRVAGPF

MNHKVHHHHHHIEGRHMRVISNGRRAARARESVDNLYWFMLAAANSAPDTPAFVTRDGEGGVRTLSYRELRTRVDDFAAALAELGLDVDDRVVLEANVTPDAVAMLLACSLLGLPFIPVSPETPSGRLRSILDTAEPALFAQAEDGGRADVPATVGTARFGAGGLRVERAPRARVRHRREIVGTDTAYIIFTSGTTGRPKGVVMSHRSVVSLYRAILEQGLITPEDRIATTSPLQFDFALFDIGLALGTGAALVPVPREELNWPRRFLAFLGDTGATQVHGVPSIWRPVLRHEPELLAGLDRVRGILFGGEDFPLPELRHLQGLLPHARIVNGYGATESMACSFTEVPRPIPSDLERLSIGFPLPGFDVSLLDEHGRPVEEIGVAGQIHLRAPSMFSGYWDDPEATARVLVSDPLDPRSGRTVLRSGDLAYRGEDGELYFAGRVDAQVQIRGNRVEPGEVERRLLEFPGISAAVALLVPRPGNDPVLHAFVVVEPGGADFDKAKARAFCADTLPGYMIPANIVAVDDIPLTVNGKVDRADLATRVAGPF
Non polymer #2 A1L0H

InChI=1S/C19H22BrN7O7S/c20-10-4-2-1-3-9(10)11(21)5-13(28)26-35(31,32)33-6-12-15(29)16(30)19(34-12)27-8-25-14-17(22)23-7-24-18(14)27/h1-4,7-8,11-12,15-16,19,29-30H,5-6,21H2,(H,26,28)(H2,22,23,24)/t11-,12+,15+,16+,19+/m0/s1

c1ccc(c(c1)[C@H](CC(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N)Br
Download coordinates
Reference