1TRG	Methyltransferase	date	May 21, 1998
title	E. Coli Thymidylate Synthase In Symmetric Complex With Cb3717 And 2'-Deoxyuridine 5'-Monophosphate (Dump)
authors	T.J.Stout, C.R.Sage, R.M.Stroud
compound		source
Molecule: Thymidylate Synthase Chain: Null Ec: 2.1.1.45 Engineered: Yes Biological_unit: Obligate Dimer		Organism_scientific: Escherichia Coli Cell_line: X2913 Plasmid: Pthya-Wt Gene: Thya Expression_system: Escherichia Coli Expression_system_vector: Bluescript Vector Expression_system_plasmid: Pthya-Wt Expression_system_gene: Thya
symmetry	Space Group: P 31 2 1	R_factor	0.180
crystal cell	length a length b length c angle alpha angle beta angle gamma 71.960 71.960 115.100 90.00 90.00 120.00
method	X-Ray Diffraction	resolution	1.9 Å
ligand	CB3, CBX, UMP	enzyme	Thymidylate synthase;. DTMP synthase;. Thymidylate synthetase;. Methylenetetrahydrofolate. DUMP C-methyltransferase;. TMP synthetase. Transferase E.C.2.1.1.45 BRENDA
similarity	Belongs to the thymidylate synthase family.[Thymidylat_synt]
subunit	Homodimer.
catalytic activ.	5,10-methylenetetrahydrofolate + dump = dihydrofolate + dtmp.
pathway	Nucleotide biosynthesis; deoxyribonucleotide biosynthesis.
post-translat. modifications	The n-terminus is carboxylated.
subcellular loc.	Cytoplasm.
genes	thyA (B. subtilis); TD, frd (B. T4); DFR1 (C. albicans); DHFR (G. gallus); TMP1 (C. neoformans); folA, thyA (E. coli); folA (H. volcanii); DHFR, TYMS (H. sapiens); folA, thyA (L. casei); Dhfr (M. musculus); THYA (P. carinii); Tyms (R. norvegicus); folA (T. maritima)
function	This protein also binds to its mrna thus repressing its own translation. Provides the sole de novo source of dtmp for dna biosynthesis.
Gene Ontology	Chain Function Process Component A RNA binding thymidylate synthase activit... methyltransferase activity transferase activity dTMP biosynthetic process regulation of translation nucleotide biosynthetic proc...
disease	Anemia,megaloblastic,due to DHFR deficiency Thymidylate Synthetase; Tyms
Primary reference	The additivity of substrate fragments in enzyme-ligand binding., Stout TJ, Sage CR, Stroud RM, Structure 1998 Jul 15;6(7):839-48. PMID:9687366

Data retrieval

Asymmetric unit, PDB entry: [header only] [complete with coordinates] (59 Kb) [Save to disk] Biological Unit Coordinates (1trg.pdb1.gz) 92 Kb CSU: Contacts of Structural Units for 1TRG Likely Quarternary Molecular Structure file(s) for 1TRG Retrieve 1TRG in mmCIF format [Save to disk]

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Structure-derived information

Dipole moment, from Dipole Server at Weizmann Institute Crystal Contacts, from CryCo at Weizmann Institute 3D motif for 1TRG, from MSDmotif at EBI Classification of representative domains in scop (Structural Classification of Proteins)     - Domain d1trg__, region [Jmol] [rasmolscript] [script source] Fold representative 1trg from FSSP and Dali (Families of Structurally Similar Proteins) Class (fold), Architecture (subfold), Topology, Homologous superfamily from CATH Summaries and structural analyses of PDB data files from PDBSum Identification of Protein Pockets & Cavities at CASTp

Sequence-derived information

View one-letter amino acid or nucleotide sequence for each chain: [1trg_]

Other resources with information on 1TRG

InterPro: IPR000398 PDBREPORT (protein verification by WHAT_CHECK procedures) MMDB (Entrez's Structure Database)

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