Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

2A9W

E. coli TS complexed with dUMP and inhibitor GA9

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	0016740	molecular_function	transferase activity
A	0016741	molecular_function	transferase activity, transferring one-carbon groups
A	0032259	biological_process	methylation
A	0042803	molecular_function	protein homodimerization activity
B	0000287	molecular_function	magnesium ion binding
B	0003723	molecular_function	RNA binding
B	0004799	molecular_function	thymidylate synthase activity
B	0005737	cellular_component	cytoplasm
B	0005829	cellular_component	cytosol
B	0006231	biological_process	dTMP biosynthetic process
B	0006235	biological_process	dTTP biosynthetic process
B	0006417	biological_process	regulation of translation
B	0008168	molecular_function	methyltransferase activity
B	0009165	biological_process	nucleotide biosynthetic process
B	0009314	biological_process	response to radiation
B	0016740	molecular_function	transferase activity
B	0016741	molecular_function	transferase activity, transferring one-carbon groups
B	0032259	biological_process	methylation
B	0042803	molecular_function	protein homodimerization activity
C	0000287	molecular_function	magnesium ion binding
C	0003723	molecular_function	RNA binding
C	0004799	molecular_function	thymidylate synthase activity
C	0005737	cellular_component	cytoplasm
C	0005829	cellular_component	cytosol
C	0006231	biological_process	dTMP biosynthetic process
C	0006235	biological_process	dTTP biosynthetic process
C	0006417	biological_process	regulation of translation
C	0008168	molecular_function	methyltransferase activity
C	0009165	biological_process	nucleotide biosynthetic process
C	0009314	biological_process	response to radiation
C	0016740	molecular_function	transferase activity
C	0016741	molecular_function	transferase activity, transferring one-carbon groups
C	0032259	biological_process	methylation
C	0042803	molecular_function	protein homodimerization activity
D	0000287	molecular_function	magnesium ion binding
D	0003723	molecular_function	RNA binding
D	0004799	molecular_function	thymidylate synthase activity
D	0005737	cellular_component	cytoplasm
D	0005829	cellular_component	cytosol
D	0006231	biological_process	dTMP biosynthetic process
D	0006235	biological_process	dTTP biosynthetic process
D	0006417	biological_process	regulation of translation
D	0008168	molecular_function	methyltransferase activity
D	0009165	biological_process	nucleotide biosynthetic process
D	0009314	biological_process	response to radiation
D	0016740	molecular_function	transferase activity
D	0016741	molecular_function	transferase activity, transferring one-carbon groups
D	0032259	biological_process	methylation
D	0042803	molecular_function	protein homodimerization activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE PO4 A 1266

Chain	Residue
A	ARG21
A	ARG166
A	UMP1277
A	HOH1936
B	ARG126
B	ARG127

site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE PO4 A 1270

Chain	Residue
A	HOH1919
A	GLU223
A	ARG225
A	HIS255

site_id	AC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE PO4 B 1265

Chain	Residue
A	ARG126
A	ARG127
B	ARG21
B	ARG166
B	UMP1278
B	HOH1927

site_id	AC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE PO4 B 1269

Chain	Residue
B	GLU223
B	ARG225
B	HIS255

site_id	AC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE PO4 B 1273

Chain	Residue
B	GLN215
B	LYS259
B	PRO261
B	GOL1801
D	GLN64
D	ARG99

site_id	AC6
Number of Residues	2
Details	BINDING SITE FOR RESIDUE PO4 B 1275

Chain	Residue
B	LEU218
B	ARG222

site_id	AC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE PO4 C 1267

Chain	Residue
C	ARG21
C	ARG166
C	UMP1279
C	HOH1935
D	ARG126
D	ARG127

site_id	AC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE PO4 C 1271

Chain	Residue
C	GLU223
C	ARG225
C	HIS255
C	HOH1919

site_id	AC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE PO4 C 1274

Chain	Residue
B	GLN64
B	GLY65
B	ARG99
C	GLN215
C	GOL1806

site_id	BC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE PO4 D 1268

Chain	Residue
C	ARG126
D	ARG21
D	ARG166
D	UMP1280
D	HOH1927

site_id	BC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE PO4 D 1272

Chain	Residue
D	GLU223
D	ARG225
D	HIS255

site_id	BC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE PO4 D 1276

Chain	Residue
C	GLN64
C	ARG99
D	GLN215
D	PRO261
D	GOL1805

site_id	BC4
Number of Residues	15
Details	BINDING SITE FOR RESIDUE UMP A 1277

Chain	Residue
A	ARG21
A	CYS146
A	GLN165
A	ARG166
A	SER167
A	CYS168
A	ASP169
A	ASN177
A	HIS207
A	TYR209
A	PO41266
A	HOH1935
A	HOH1936
A	HOH1942
B	ARG126

site_id	BC5
Number of Residues	13
Details	BINDING SITE FOR RESIDUE GA9 A 1320

Chain	Residue
A	SER54
A	THR78
A	ILE79
A	GLY106
A	HIS108
A	LEU172
A	GLY173
A	PHE176
A	ALA260
A	VAL262
A	GOL1804
A	HOH1842
A	HOH1885

site_id	BC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE BME A 1815

Chain	Residue
A	GLN165
A	CYS168
A	ASP169
A	GLY173
A	LEU174
A	ASN177
A	HOH1935

site_id	BC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE BME A 1817

Chain	Residue
A	ALA144
A	CYS146
A	ARG166

site_id	BC8
Number of Residues	13
Details	BINDING SITE FOR RESIDUE UMP B 1278

Chain	Residue
B	ASP169
B	ASN177
B	HIS207
B	TYR209
B	PO41265
B	HOH1925
B	HOH1927
A	ARG126
B	CYS146
B	GLN165
B	ARG166
B	SER167
B	CYS168

site_id	BC9
Number of Residues	11
Details	BINDING SITE FOR RESIDUE GA9 B 1321

Chain	Residue
B	SER54
B	THR78
B	ILE79
B	LEU172
B	PHE176
B	ALA260
B	VAL262
B	GOL1802
B	HOH1869
D	GLY106
D	HIS108

site_id	CC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE 2BR B 1819

Chain	Residue
B	ARG49
B	CYS50
B	HIS51
B	LEU52
B	ARG53
D	HOH1872

site_id	CC2
Number of Residues	17
Details	BINDING SITE FOR RESIDUE UMP C 1279

Chain	Residue
C	ARG21
C	CYS146
C	GLN165
C	ARG166
C	SER167
C	CYS168
C	ASP169
C	ASN177
C	HIS207
C	TYR209
C	PO41267
C	GA91318
C	HOH1824
C	HOH1901
C	HOH1935
C	HOH1941
D	ARG126

site_id	CC3
Number of Residues	12
Details	BINDING SITE FOR RESIDUE GA9 C 1318

Chain	Residue
B	GLY106
B	HIS108
C	SER54
C	ILE79
C	LEU172
C	PHE176
C	ALA260
C	VAL262
C	UMP1279
C	GOL1808
C	HOH1835
C	HOH1836

site_id	CC4
Number of Residues	9
Details	BINDING SITE FOR RESIDUE BME C 1816

Chain	Residue
C	CYS146
C	GLN165
C	SER167
C	CYS168
C	ASP169
C	GLY173
C	LEU174
C	ASN177
C	HOH1824

site_id	CC5
Number of Residues	13
Details	BINDING SITE FOR RESIDUE UMP D 1280

Chain	Residue
C	ARG126
D	CYS146
D	GLN165
D	ARG166
D	SER167
D	CYS168
D	ASP169
D	ASN177
D	HIS207
D	TYR209
D	PO41268
D	HOH1925
D	HOH1927

site_id	CC6
Number of Residues	11
Details	BINDING SITE FOR RESIDUE GA9 D 1319

Chain	Residue
C	GLY106
C	HIS108
D	SER54
D	ILE79
D	LEU172
D	PHE176
D	ALA260
D	VAL262
D	GOL1807
D	HOH1841
D	HOH1899

site_id	CC7
Number of Residues	2
Details	BINDING SITE FOR RESIDUE BME D 1818

Chain	Residue
D	CYS146
D	SER167

site_id	CC8
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL A 1803

Chain	Residue
A	GLN64
A	ARG99
A	ASN211
A	HIS212
A	MET213
A	ASP214
A	GLN215

site_id	CC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL A 1804

Chain	Residue
A	LYS48
A	CYS50
A	LEU172
A	GA91320
A	HOH1943

site_id	DC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL A 1810

Chain	Residue
A	PHE244
A	GLU248
A	ILE249

site_id	DC2
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL B 1801

Chain	Residue
B	ASN211
B	HIS212
B	MET213
B	ASP214
B	GLN215
B	PO41273
D	GLN64
D	ARG99

site_id	DC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL B 1802

Chain	Residue
B	LYS48
B	CYS50
B	PHE171
B	LEU172
B	GA91321

site_id	DC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL B 1809

Chain	Residue
B	ILE56
B	PHE244
B	GLU248
B	ILE249
B	HOH1841
B	HOH1922

site_id	DC5
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL C 1806

Chain	Residue
B	GLN64
B	ARG99
C	ASN211
C	HIS212
C	MET213
C	ASP214
C	GLN215
C	PO41274

site_id	DC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL C 1808

Chain	Residue
C	LEU44
C	CYS50
C	HIS51
C	ILE55
C	PRO175
C	PHE176
C	GA91318

site_id	DC7
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL D 1805

Chain	Residue
C	GLN64
C	ARG99
D	ASN211
D	HIS212
D	MET213
D	ASP214
D	GLN215
D	PO41276

site_id	DC8
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL D 1807

Chain	Residue
D	LYS48
D	CYS50
D	HIS51
D	ILE55
D	PRO175
D	PHE176
D	GA91319
D	HOH1882

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

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	Active site: {"description":"Nucleophile","evidences":[{"source":"HAMAP-Rule","id":"MF_00008","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"2223754","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8973201","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9416600","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	28
Details	Binding site: {"description":"in other chain","evidences":[{"source":"PubMed","id":"2223754","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8973201","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1KCE","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2TSC","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	8
Details	Binding site: {"evidences":[{"source":"PubMed","id":"8312270","evidenceCode":"ECO:0000305"},{"source":"PDB","id":"1TYS","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI4
Number of Residues	4
Details	Binding site: {"evidences":[{"source":"PubMed","id":"2223754","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8973201","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1KCE","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2TSC","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

Catalytic Information from CSA

site_id	CSA1
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

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

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

site_id	CSA3
Number of Residues	6
Details	Annotated By Reference To The Literature 1b02

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

site_id	CSA4
Number of Residues	6
Details	Annotated By Reference To The Literature 1b02

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

site_id	CSA5
Number of Residues	3
Details	Annotated By Reference To The Literature 1b02

Chain	Residue	Details
A	SER180
A	ASN177
A	CYS146

site_id	CSA6
Number of Residues	3
Details	Annotated By Reference To The Literature 1b02

Chain	Residue	Details
B	SER180
B	ASN177
B	CYS146

site_id	CSA7
Number of Residues	3
Details	Annotated By Reference To The Literature 1b02

Chain	Residue	Details
C	SER180
C	ASN177
C	CYS146

site_id	CSA8
Number of Residues	3
Details	Annotated By Reference To The Literature 1b02

Chain	Residue	Details
D	SER180
D	ASN177
D	CYS146

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)