2024-03-23_00000131|ligand|8OH0

PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry D08; X-ray diffraction 1.27Å

Protein #1 154 residues (98% resolved)

Raw Sequence ...

GPTPVEEAQQKTIEAITKAINYMAKRRIGALLTIERDTGMGDYIETGIPLNAKVSSELLINIFIPNTPLHDGAVIMKNNEIAAAACYLPLSESPFISKELGTRHRAAVGISEVTDSLTIIVSEETGGVSVAKNGDLHRELTEEALKEMLEAEFK

Canonical Sequence ...

GPTPVEEAQQKTIEAITKAINYMAKRRIGALLTIERDTGMGDYIETGIPLNAKVSSELLINIFIPNTPLHDGAVIMKNNEIAAAACYLPLSESPFISKELGTRHRAAVGISEVTDSLTIIVSEETGGVSVAKNGDLHRELTEEALKEMLEAEFK

Non polymer #2 MG

InChI=1S/Mg/q+2

SMILES: [Mg+2]

[Mg+2]

Non polymer #3 VNO

InChI=1S/C8H18N2O3S/c1-5-14(12,13)7-6-10(4)8(11)9(2)3/h5-7H2,1-4H3

SMILES: CCS(=O)(=O)CCN(C)C(=O)N(C)C

CCS(=O)(=O)CCN(C)C(=O)N(C)C

Biounit #1 homo-dimer

Reference