1TRG

E. COLI THYMIDYLATE SYNTHASE IN SYMMETRIC COMPLEX WITH CB3717 AND 2'-DEOXYURIDINE 5'-MONOPHOSPHATE (DUMP)

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000287	molecular_function	magnesium ion binding
A	0003723	molecular_function	RNA binding
A	0004799	molecular_function	thymidylate synthase activity
A	0005737	cellular_component	cytoplasm
A	0005829	cellular_component	cytosol
A	0006231	biological_process	dTMP biosynthetic process
A	0006235	biological_process	dTTP biosynthetic process
A	0006417	biological_process	regulation of translation
A	0008168	molecular_function	methyltransferase activity
A	0009165	biological_process	nucleotide biosynthetic process
A	0009314	biological_process	response to radiation
A	0016741	molecular_function	transferase activity, transferring one-carbon groups
A	0032259	biological_process	methylation
A	0042803	molecular_function	protein homodimerization activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	15
Details	BINDING SITE FOR RESIDUE UMP A 565

Chain	Residue
A	ASP169
A	ASN177
A	HIS207
A	TYR209
A	CB3566
A	HOH708
A	HOH729
A	ARG21
A	ARG126
A	ARG127
A	CYS146
A	HIS147
A	GLN165
A	ARG166
A	SER167

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site_id	AC2
Number of Residues	23
Details	BINDING SITE FOR RESIDUE CB3 A 566

Chain	Residue
A	HIS51
A	GLU58
A	ILE79
A	TRP80
A	TRP83
A	LEU143
A	ASP169
A	GLY173
A	PHE176
A	ASN177
A	TYR209
A	VAL262
A	ALA263
A	UMP565
A	HOH715
A	HOH717
A	HOH720
A	HOH722
A	HOH724
A	HOH728
A	HOH738
A	HOH739
A	HOH811

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site_id	CAT
Number of Residues	1
Details	CATALYTIC CYSTEINE FORMS A COVALENT BOND WITH THE SUBSTRATE, DUMP.

Chain	Residue
A	CYS146

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Functional Information from PROSITE/UniProt

site_id	PS00091
Number of Residues	29
Details	THYMIDYLATE_SYNTHASE Thymidylate synthase active site. RriIvsaWNvgeldkma.....LaPCHaffQFyV

Chain	Residue	Details
A	ARG126-VAL154

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	ACT_SITE: Nucleophile => ECO:0000255|HAMAP-Rule:MF_00008, ECO:0000269|PubMed:2223754, ECO:0000269|PubMed:8973201, ECO:0000269|PubMed:9416600

Chain	Residue	Details
A	CYS146

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site_id	SWS_FT_FI2
Number of Residues	4
Details	BINDING: in other chain => ECO:0000269|PubMed:2223754, ECO:0000269|PubMed:8973201, ECO:0007744|PDB:1KCE, ECO:0007744|PDB:2TSC

Chain	Residue	Details
A	ARG21
A	ARG166
A	ASN177
A	HIS207

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site_id	SWS_FT_FI3
Number of Residues	3
Details	BINDING: BINDING => ECO:0000305|PubMed:8312270, ECO:0007744|PDB:1TYS

Chain	Residue	Details
A	HIS51
A	ASP169
A	ALA263

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site_id	SWS_FT_FI4
Number of Residues	1
Details	BINDING: BINDING => ECO:0000269|PubMed:2223754, ECO:0000269|PubMed:8973201, ECO:0007744|PDB:1KCE, ECO:0007744|PDB:2TSC

Chain	Residue	Details
A	ARG126

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Catalytic Information from CSA

site_id	CSA1
Number of Residues	3
Details	Annotated By Reference To The Literature 1b02

Chain	Residue	Details
A	SER180
A	ASN177
A	CYS146

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site_id	CSA2
Number of Residues	6
Details	Annotated By Reference To The Literature 1b02

Chain	Residue	Details
A	HIS207
A	GLU58
A	ASP169
A	SER167
A	CYS146
A	ASP205

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