2024-03-30_00000075|ligand|8OHO

PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry H11; X-ray diffraction 1.32Å
Protein #1 154 residues (98% resolved)

GPTPVEEAQQKTIEAITKAINYMAKRRIGALLTIERDTGMGDYIETGIPLNAKVSSELLINIFIPNTPLHDGAVIMKNNEIAAAACYLPLSESPFISKELGTRHRAAVGISEVTDSLTIIVSEETGGVSVAKNGDLHRELTEEALKEMLEAEFK

GPTPVEEAQQKTIEAITKAINYMAKRRIGALLTIERDTGMGDYIETGIPLNAKVSSELLINIFIPNTPLHDGAVIMKNNEIAAAACYLPLSESPFISKELGTRHRAAVGISEVTDSLTIIVSEETGGVSVAKNGDLHRELTEEALKEMLEAEFK
Non polymer #2 MG

InChI=1S/Mg/q+2

[Mg+2]
Non polymer #3 REG

InChI=1S/C11H20N2O2/c14-11(13-9-4-1-2-5-9)12-8-10-6-3-7-15-10/h9-10H,1-8H2,(H2,12,13,14)/t10-/m0/s1

C1CCC(C1)NC(=O)NC[C@@H]2CCCO2
Non polymer #4 TBJ

InChI=1S/C11H20N2O2/c14-11(13-9-4-1-2-5-9)12-8-10-6-3-7-15-10/h9-10H,1-8H2,(H2,12,13,14)/t10-/m1/s1

C1CCC(C1)NC(=O)NC[C@H]2CCCO2
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Reference