2024-03-23_00000124
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ligand
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8OGS
PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry B08;
X-ray diffraction 1.25Å
Protein #1
154 residues (98% resolved)
Raw Sequence ...
GPTPVEEAQQKTIEAITKAINYMAKRRIGALLTIERDTGMGDYIETGIPLNAKVSSELLINIFIPNTPLHDGAVIMKNNEIAAAACYLPLSESPFISKELGTRHRAAVGISEVTDSLTIIVSEETGGVSVAKNGDLHRELTEEALKEMLEAEFK
Canonical Sequence ...
GPTPVEEAQQKTIEAITKAINYMAKRRIGALLTIERDTGMGDYIETGIPLNAKVSSELLINIFIPNTPLHDGAVIMKNNEIAAAACYLPLSESPFISKELGTRHRAAVGISEVTDSLTIIVSEETGGVSVAKNGDLHRELTEEALKEMLEAEFK
Non polymer #2
MG
InChI=1S/Mg/q+2
InChI=1S/Mg/q+2
SMILES: [Mg+2]
[Mg+2]
Non polymer #3
T9S
InChI=1S/C10H12N2O2/c1-2-14-10(13)12-6-8-3-4-11-5-9(8)7-12/h3-5H,2,6-7H2,1H3
InChI=1S/C10H12N2O2/c1-2-14-10(13)12-6-8-3-4-11-5-9(8)7-12/h3-5H,2,6-7H2,1H3
SMILES: CCOC(=O)N1Cc2ccncc2C1
CCOC(=O)N1Cc2ccncc2C1
Biounit #1
homo-dimer
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Model
Reference
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