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Ligands
Code Name Style Show Link
C3R Carolacton
Non-standard Residues
Code Name Show
MLY N-dimethyl-lysine
Glycosylation
Code Name Emphasize
Modification
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Code : 5O22   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE
Title : E. coli FolD in complex with carolacton
Release Data : 2018-02-28
Compound :
mol_id molecule chains
1 Bifunctional protein FolD A
ec: 1.5.1.5,3.5.4.9
other_details: Lysines reductively methylated
mol_id molecule chains
2 Bifunctional protein FolD B
ec: 1.5.1.5,3.5.4.9
mol_id molecule chains
3 Bifunctional protein FolD C
ec: 1.5.1.5,3.5.4.9
mol_id molecule chains
4 Bifunctional protein FolD D
ec: 1.5.1.5,3.5.4.9
Source :
mol_id organism_scientific expression_system
1 Escherichia coli (strain K12)  (taxid:83333) Escherichia coli BL21(DE3)  (taxid:469008)
strain: K12
gene: folD, ads, b0529, JW0518
mol_id organism_scientific expression_system
2 Escherichia coli (strain K12)  (taxid:83333) Escherichia coli BL21(DE3)  (taxid:469008)
strain: K12
gene: folD, ads, b0529, JW0518
mol_id organism_scientific expression_system
3 Escherichia coli (strain K12)  (taxid:83333) Escherichia coli BL21(DE3)  (taxid:469008)
strain: K12
gene: folD, ads, b0529, JW0518
mol_id organism_scientific expression_system
4 Escherichia coli (strain K12)  (taxid:83333) Escherichia coli BL21(DE3)  (taxid:469008)
strain: K12
gene: folD, ads, b0529, JW0518
Authors : Koehnke, J., Sikandar, A.
Keywords : carolacton, FolD, natural product, inhibitor, oxidoreductase
Exp. method : X-RAY DIFFRACTION ( 2.100 Å )
Citation :

The natural product carolacton inhibits folate-dependent C1 metabolism by targeting FolD/MTHFD.

Fu, C.,Sikandar, A.,Donner, J.  et al.
(2017)  Nat Commun  8 : 1529 - 1529

PubMed: 29142318
DOI: 10.1038/s41467-017-01671-5

Chain : D
UniProt : P24186 (FOLD_ECOLI)
Reaction: EC: Evidence:
Physiological Direction:
(6R)-5,10-methylene-5,6,7,8-tetrahydrofolate + NADP(+) = (6R)- 5,10-methenyltetrahydrofolate + NADPH 1.5.1.5 HAMAP- Rule:MF_01576
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(6R)-5,10-methenyltetrahydrofolate + H2O = (6R)-10- formyltetrahydrofolate + H(+) 3.5.4.9 HAMAP- Rule:MF_01576
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