Brand  (β version)

PDB ID: 4FZB

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Ligands
Code Name Style Show Link
FAD Flavin-adenine dinucleotide PoSSuM
0VJ 2-hydroxy-3-(4-methoxybenzyl)naphthalene-1,4-dione PoSSuM
DMS Dimethyl sulfoxide PoSSuM
Non-standard Residues
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Structure summary

Code : 4FZB   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE/TRANSFERASE INHIBITOR
Title : Structure of thymidylate synthase ThyX complexed to a new inhibitor
Release Data : 2013-05-22
Compound :
mol_id molecule chains synonym
1 Probable thymidylate synthase A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P TS, TSase
ec: 2.1.1.148
Source :
mol_id organism_scientific organism_common expression_system
1 Paramecium bursaria Chlorella virus 1  (taxid:10506) PBCV-1 Escherichia coli  (taxid:511693)
strain: Paramecium bursaria chlorella virus (PBCV-1)
gene: A674R, ThyX
expression_system_strain: BL21
Authors : Basta, T., Boum, Y., Briffotaux, J., Becker, H.F., Lamarre-Jouenne, I., Lambry, J.C., Skouloubris, S., Liebl, U., van Tilbeurgh, H., Graille, M., Myllylkallio, H.
Keywords : Homotetramer, FAD-dependent Thymidylate synthase, TRANSFERASE-TRANSFERASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.59 Å )
Citation :

Mechanistic and structural basis for inhibition of thymidylate synthase ThyX.

Basta, T.,Boum, Y.,Briffotaux, J.  et al.
(2012)  Open Biology  2 : 120120 - 120120

PubMed: 23155486
DOI: 10.1098/rsob.120120

Reaction

Chain : A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P
UniProt : O41156 (THYX_PBCV1)
Reaction: EC: Evidence:
Physiological Direction:
dUMP + (6R)-5,10-methylene-5,6,7,8-tetrahydrofolate + NADPH + H(+) = dTMP + (6S)-5,6,7,8-tetrahydrofolate + NADP(+) 2.1.1.148 UniProtKB:Q9WYT0
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Cofactor: Evidence: Note:
FAD ECO:0000250 | UniProtKB:Q9WYT0
Binds 4 FAD per tetramer. Each FAD binding site is formed by three monomers.