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TitleA Mechanistic Understanding of the Distinct Regio- and Chemoselectivity of Multifunctional P450s by Structural Comparison of IkaD and CftA Complexed with Common Substrates.
Journal, issue, pagesAngew. Chem. Int. Ed. Engl., Vol. 62, Page e202310728-e202310728, Year 2023
Publish dateJun 6, 2023 (structure data deposition date)
AuthorsJiang, P. / Jin, H. / Zhang, G. / Zhang, W. / Liu, W. / Zhu, Y. / Zhang, C. / Zhang, L.
External linksAngew. Chem. Int. Ed. Engl. / PubMed:37917570
MethodsX-ray diffraction
Resolution2 - 2.25 Å
Structure data

PDB-8jnc:
Crystal structure of cytochrome P450 IkaD from Streptomyces sp. ZJ306, in complex with the substrate 10-epi-maltophilin
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-8jno:
Crystal structure of cytochrome P450 IkaD from Streptomyces sp. ZJ306, in complex with the substrate 10-epi-deOH-HSAF
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-8jnp:
Crystal structure of cytochrome P450 CftA from Streptomyces torulosus NRRL B-3889, in complex with the substrate ikarugamycin
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-8jnq:
Crystal structure of cytochrome P450 CftA from Streptomyces torulosus NRRL B-3889, in complex with a substrate compound c
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-8joo:
Crystal structure of cytochrome P450 IkaD from Streptomyces sp. ZJ306, in complex with the substrate ikarugamycin
Method: X-RAY DIFFRACTION / Resolution: 2.25 Å

PDB-8jua:
Multifunctional cytochrome P450 enzyme IkaD from Streptomyces sp. ZJ306, in complex with epoxyikarugamycin
Method: X-RAY DIFFRACTION / Resolution: 2.00001111553 Å

Chemicals

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-E5I:
(1Z,3E,5S,8R,9S,10S,11R,13R,15R,16S,18Z,24S,25S)-11-ethyl-2,24-dihydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.09,13.08,15.05,16]octacosa-1(2),3,18-triene-7,20,27,28-tetraone

ChemComp-FMT:
FORMIC ACID

ChemComp-NA:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-E8T:
(1Z,3E,5S,7S,8R,9S,10S,11R,13R,15R,16S,18Z,25S)-11-ethyl-2,7-dihydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.09,13.08,15.05,16]octacosa-1(2),3,18-triene-20,27,28-trione

ChemComp-EIA:
(1Z,3E,5S,7R,8R,10R,11R,12S,15R,16S,18Z,25S)-11-ethyl-2-hydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.05,16.07,15.08,12]octacosa-1(2),3,13,18-tetraene-20,27,28-trione

ChemComp-EIU:
(1Z,3E,5E,7S,8R,10S,11R,13R,15R,16E,18E,25S)-11-ethyl-2,7-dihydroxy-10-methyl-21,26-diazatetracyclo[23.2.1.09,13.08,15]octacosa-1(2),3,5,16,18-pentaene-20,27,28-trione

ChemComp-F7Z:
(1Z,3E,5S,7R,8R,10R,11R,12S,13R,15S,16R,17S,19Z,26S)-11-ethyl-2-hydroxy-10-methyl-22,27-diaza-14 oxahexacyclo[24.2.1.05,17.07,16.013,15.08,12]nonacosa-1(2),3,19-triene-21,28,29-trione

Source
  • streptomyces sp. zj306 (bacteria)
  • streptomyces torulosus (bacteria)
KeywordsOXIDOREDUCTASE / hydroxylation / polycyclic tetramate macrolactam / cytochrome P450 / Actinomadura viridis / hydrolase / Lobophorin / deglycosylation / C-H functionalization / regioselectivity / chemoselectivity / polycyclic tetramate macrolactam (PoTeM) / cytochrome P450 enzyme

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