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Structure paper

TitleThe Biosynthesis of the Benzoxazole in Nataxazole Proceeds via an Unstable Ester and has Synthetic Utility.
Journal, issue, pagesAngew. Chem. Int. Ed. Engl., Vol. 59, Page 6054-6061, Year 2020
Publish dateAug 12, 2019 (structure data deposition date)
AuthorsSong, H. / Rao, C. / Deng, Z. / Yu, Y. / Naismith, J.H.
External linksAngew. Chem. Int. Ed. Engl. / PubMed:31903677
MethodsX-ray diffraction
Resolution1.17 - 2.06 Å
Structure data

PDB-6siw:
PaaK family AMP-ligase with AMP
Method: X-RAY DIFFRACTION / Resolution: 1.96 Å

PDB-6six:
PaaK family AMP-ligase with ANP
Method: X-RAY DIFFRACTION / Resolution: 1.88 Å

PDB-6siy:
PaaK family AMP-ligase with AMP and substrate
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-6siz:
PaaK family AMP-ligase with ANP and substrate
Method: X-RAY DIFFRACTION / Resolution: 1.77 Å

PDB-6sj0:
Amidohydrolase, AHS
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-6sj1:
Amidohydrolase, AHS
Method: X-RAY DIFFRACTION / Resolution: 2.06 Å

PDB-6sj2:
Amidohydrolase, AHS with 3-HAA
Method: X-RAY DIFFRACTION / Resolution: 1.25 Å

PDB-6sj3:
Amidohydrolase, AHS with 3-HBA
Method: X-RAY DIFFRACTION / Resolution: 1.17 Å

PDB-6sj4:
Amidohydrolase, AHS with substrate analog
Method: X-RAY DIFFRACTION / Resolution: 1.81 Å

PDB-6tm4:
NatL2 in complex with two molecules of salicylic acid
Method: X-RAY DIFFRACTION / Resolution: 1.89 Å

Chemicals

ChemComp-AMP:
ADENOSINE MONOPHOSPHATE / AMP*YM

ChemComp-MG:
Unknown entry

ChemComp-ZN:
Unknown entry

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-7PE:
2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL

ChemComp-HOH:
WATER

ChemComp-ANP:
PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER / AMP-PNP, energy-carrying molecule analogue*YM

ChemComp-FLC:
CITRATE ANION

ChemComp-3HA:
3-HYDROXYANTHRANILIC ACID

ChemComp-BCT:
BICARBONATE ION / pH buffer*YM

ChemComp-SO4:
SULFATE ION

ChemComp-GOL:
GLYCEROL

ChemComp-3HB:
3-HYDROXYBENZOIC ACID

ChemComp-LFK:
3-(3-hydroxyphenyl)carbonyloxybenzoic acid

ChemComp-PGE:
TRIETHYLENE GLYCOL

ChemComp-SAL:
2-HYDROXYBENZOIC ACID

Source
  • streptomyces sp. tu 6176 (bacteria)
  • streptomyces sp. (bacteria)
KeywordsLIGASE / PaaK like ligase / HYDROLASE / Amidohydrolase / AHS with 3-HAA / AHS with 3-HBA / AHS with substrate analog / phenyl acetate CoA ligase

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