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Structure paper

TitleNon-canonical active site architecture of the radical SAM thiamin pyrimidine synthase.
Journal, issue, pagesNat Commun, Vol. 6, Page 6480-6480
Publish dateJan 19, 2015 (structure data deposition date)
AuthorsFenwick, M.K. / Mehta, A.P. / Zhang, Y. / Abdelwahed, S.H. / Begley, T.P. / Ealick, S.E.
External linksNat Commun / PubMed:25813242
MethodsX-ray diffraction
Resolution1.25 - 2.93 Å
Structure data

PDB-4s25:
Crystal structure of Arabidopsis thaliana ThiC with bound imidazole ribonucleotide, S-adenosylhomocysteine, Fe4S4 cluster and Zn (trigonal crystal form)
Method: X-RAY DIFFRACTION / Resolution: 1.45 Å

PDB-4s26:
Crystal structure of Arabidopsis thaliana ThiC with bound imidazole ribonucleotide, S-adenosylhomocysteine, Fe4S4 cluster and Zn (monoclinic crystal form)
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-4s27:
Crystal structure of Arabidopsis thaliana ThiC with bound aminoimidazole ribonucleotide, 5'-deoxyadenosine, L-methionine, Fe4S4 cluster and Fe
Method: X-RAY DIFFRACTION / Resolution: 1.27 Å

PDB-4s28:
Crystal structure of Arabidopsis thaliana ThiC with bound aminoimidazole ribonucleotide, S-adenosylhomocysteine, Fe4S4 cluster and Fe
Method: X-RAY DIFFRACTION / Resolution: 1.25 Å

PDB-4s29:
Crystal structure of Arabidopsis thaliana ThiC with bound imidazole ribonucleotide and Fe
Method: X-RAY DIFFRACTION / Resolution: 1.382 Å

PDB-4s2a:
Crystal structure of Caulobacter crescentus ThiC with Fe4S4 cluster at remote site (holo form)
Method: X-RAY DIFFRACTION / Resolution: 2.93 Å

Chemicals

ChemComp-SF4:
IRON/SULFUR CLUSTER / Iron–sulfur cluster

ChemComp-IRN:
1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole

ChemComp-SAH:
S-ADENOSYL-L-HOMOCYSTEINE / S-Adenosyl-L-homocysteine

ChemComp-ZN:
Unknown entry

ChemComp-CL:
Unknown entry / Chloride

ChemComp-BU1:
1,4-BUTANEDIOL / 1,4-Butanediol

ChemComp-HOH:
WATER / Water

ChemComp-AIR:
5-AMINOIMIDAZOLE RIBONUCLEOTIDE / 5-Aminoimidazole ribotide

ChemComp-5AD:
5'-DEOXYADENOSINE / Deoxyadenosine

ChemComp-MET:
METHIONINE / Methionine

ChemComp-FE2:
Unknown entry

ChemComp-PO4:
PHOSPHATE ION / Phosphate

Source
  • arabidopsis thaliana (thale cress)
  • caulobacter crescentus cb15 (bacteria)
KeywordsLYASE / Alpha-Beta Barrel / Radical SAM superfamily / Iron-sulfur cluster / Thiamin / Vitamin B1 / Vitamin B12 / Domain swapping / AdoMet and Glutamate mutase

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