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Structure paper

TitleStructure of NDP-forming Acetyl-CoA synthetase ACD1 reveals a large rearrangement for phosphoryl transfer.
Journal, issue, pagesProc. Natl. Acad. Sci. USA, Vol. 113, Page E519-E528, Year 2016
Publish dateFeb 2, 2015 (structure data deposition date)
AuthorsWeie, R.H. / Faust, A. / Schmidt, M. / Schonheit, P. / Scheidig, A.J.
External linksProc. Natl. Acad. Sci. USA / PubMed:26787904
MethodsX-ray diffraction
Resolution1.9 - 2.464 Å
Structure data

PDB-4xyl:
Ca. Korarchaeum cryptofilum ACD1 in complex with coenzyme A
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-4xym:
Ca. Korarchaeum cryptofilum dinucleotide forming Acetyl-coenzyme A synthetase 1 in complex with coenzyme A, Ca-AMPCP and HgCl+
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-4xz3:
Ca. Korarchaeum cryptofilum dinucleotide forming Acetyl-coenzyme A synthetase 1 (Se-Met derivative) in complex with coenzyme A and Mg-AMPPCP, phosphohistidine segment pointing towards nucleotide binding site
Method: X-RAY DIFFRACTION / Resolution: 2.398 Å

PDB-4y8v:
Ca. Korarchaeum cryptofilum dinucleotide forming Acetyl-coenzyme A synthetase 1 in complex with ADP and additional ADP bound to phosphate binding site
Method: X-RAY DIFFRACTION / Resolution: 2.099 Å

PDB-4yaj:
Ca. Korarchaeum cryptofilum dinucleotide forming Acetyl-coenzyme A synthetase 1 (apo form)
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-4yak:
Ca. Korarchaeum cryptofilum dinucleotide forming Acetyl-coenzyme A synthetase 1 in complex with coenzyme A, acetyl-coenzyme A and with phosphorylated phosphohistidine segment (site I orientation)
Method: X-RAY DIFFRACTION / Resolution: 2.464 Å

PDB-4yb8:
Ca. Korarchaeum cryptofilum dinucleotide forming Acetyl-coenzyme A synthetase 1 in complex with phosphate and ADP
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-4ybz:
Ca. Korarchaeum cryptofilum dinucleotide forming Acetyl-coenzyme A synthetase 1 in complex with ADP and with phosphorylated phosphohistidine segment (site I orientation)
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-5hbr:
Ca. Korarchaeum cryptofilum dinucleotide forming Acetyl-coenzyme A synthetase 1 in complex with phosphate and coenzyme A
Method: X-RAY DIFFRACTION / Resolution: 1.995 Å

Chemicals

ChemComp-CL:
Unknown entry

ChemComp-COA:
COENZYME A

ChemComp-HOH:
WATER

ChemComp-HG:
Unknown entry

ChemComp-A12:
PHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER

ChemComp-CA:
Unknown entry

ChemComp-NA:
Unknown entry

ChemComp-ACP:
PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER / AMP-PCP, energy-carrying molecule analogue*YM

ChemComp-MG:
Unknown entry

ChemComp-ADP:
ADENOSINE-5'-DIPHOSPHATE / ADP, energy-carrying molecule*YM

ChemComp-ACO:
ACETYL COENZYME *A

ChemComp-PO4:
PHOSPHATE ION

Source
  • korarchaeum cryptofilum (strain opf8) (archaea)
  • candidatus korarchaeum cryptofilum opf8 (archaea)
  • korarchaeum cryptofilum opf8 (archaea)
KeywordsLIGASE / Dinucleotide forming acetyl-CoA synthetase / complex / ACD / TRANSFERASE

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