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6B7E

Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with (R)-4-(5-(difluoromethyl)-1H-imidazol-1-yl)-3,3-dimethylisochroman-1-one

Entity
Entity IDChain IDDescriptionTypeChain lengthFormula weightNumber of moleculesDB Name (Accession)Biological sourceDescriptive keywords
1A, BPhosphopantetheine adenylyltransferasepolymer16718902.72UniProt (P0A6I6)
Pfam (PF01467)
In PDB
Escherichia coli (strain K12)Dephospho-CoA pyrophosphorylase,Pantetheine-phosphate adenylyltransferase,PPAT
2A, BSULFATE IONnon-polymer96.17Chemie (SO4)
3A, BDIMETHYL SULFOXIDEnon-polymer78.12Chemie (DMS)
4B(4R)-4-[5-(difluoromethyl)-1H-imidazol-1-yl]-3,3-dimethyl-3,4-dihydro-1H-2-benzopyran-1-onenon-polymer292.31Chemie (CWA)
5waterwater18.0306Chemie (HOH)
Sequence modifications
A, B: 1 - 159 (UniProt: P0A6I6)
PDBExternal DatabaseDetails
Val 160-expression tag
Asp 161-expression tag
His 162-expression tag
His 163-expression tag
His 164-expression tag
His 165-expression tag
His 166-expression tag
His 167-expression tag
Sequence viewer
Contents of the asymmetric unit
PolymersNumber of chains2
Total formula weight37805.5
Non-Polymers*Number of molecules10
Total formula weight1121.0
All*Total formula weight38926.4
*Water molecules are not included.

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PDB entries from 2024-07-10

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