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Structure paper

TitleThe bottromycin epimerase BotH defines a group of atypical alpha / beta-hydrolase-fold enzymes.
Journal, issue, pagesNat. Chem. Biol., Vol. 16, Page 1013-1018, Year 2020
Publish dateOct 18, 2019 (structure data deposition date)
AuthorsSikandar, A. / Franz, L. / Adam, S. / Santos-Aberturas, J. / Horbal, L. / Luzhetskyy, A. / Truman, A.W. / Kalinina, O.V. / Koehnke, J.
External linksNat. Chem. Biol. / PubMed:32601484
MethodsX-ray diffraction
Resolution1.18 - 1.7 Å
Structure data

PDB-6t6h:
Apo structure of the Bottromycin epimerase BotH
Method: X-RAY DIFFRACTION / Resolution: 1.18 Å

PDB-6t6x:
Structure of the Bottromycin epimerase BotH in complex with substrate
Method: X-RAY DIFFRACTION / Resolution: 1.25 Å

PDB-6t6y:
Structure of the Bottromycin epimerase BotH in complex with Bottromycin A2
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

PDB-6t6z:
Structure of the Bottromycin epimerase BotH in complex with a bottromycin A2 derivative
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-6t70:
Structure of the Bottromycin epimerase BotH in complex with Bottromycin A2 derivative
Method: X-RAY DIFFRACTION / Resolution: 1.58 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-NA:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-MQW:
(4~{R})-2-[(1~{R})-1-[[(2~{S})-2-[[(2~{S})-3-methyl-2-[[(4~{Z},6~{S},9~{S},12~{S})-2,8,11-tris(oxidanylidene)-6,9-di(propan-2-yl)-1,4,7,10-tetrazabicyclo[10.3.0]pentadec-4-en-5-yl]amino]butanoyl]amino]-3-phenyl-propanoyl]amino]-3-oxidanyl-3-oxidanylidene-propyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid

ChemComp-MQH:
Bottromycin A2

ChemComp-MRB:
Bottromycin A2 derivative

ChemComp-CL:
Unknown entry

ChemComp-GOL:
GLYCEROL

ChemComp-ZN:
Unknown entry

ChemComp-MQZ:
Bottromycin A2 derivative

Source
  • streptomyces sp. bc16019 (bacteria)
KeywordsHYDROLASE / Bottromycin / RiPP / Epimerase / ABH

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