Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

1KZJ

Crystal Structure of EcTS W80G/dUMP/CB3717 Complex

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

Functional Information from PDB Data

site_id	AC1
Number of Residues	14
Details	BINDING SITE FOR RESIDUE UMP A 300

Chain	Residue
A	ARG21
A	HIS207
A	TYR209
A	CB3301
B	ARG126
B	ARG127
A	CYS146
A	HIS147
A	GLN165
A	ARG166
A	SER167
A	CYS168
A	ASP169
A	ASN177

site_id	AC2
Number of Residues	14
Details	BINDING SITE FOR RESIDUE CB3 A 301

Chain	Residue
A	GLU58
A	ILE79
A	TRP83
A	ASP169
A	GLY173
A	PHE176
A	TYR209
A	LYS259
A	VAL262
A	ALA263
A	UMP300
A	HOH420
A	HOH472
F	LYS259

site_id	AC3
Number of Residues	16
Details	BINDING SITE FOR RESIDUE UMP B 302

Chain	Residue
A	ARG126
A	ARG127
B	ARG21
B	CYS146
B	HIS147
B	GLN165
B	ARG166
B	SER167
B	CYS168
B	ASP169
B	GLY173
B	ASN177
B	HIS207
B	TYR209
B	CB3303
B	HOH437

site_id	AC4
Number of Residues	11
Details	BINDING SITE FOR RESIDUE CB3 B 303

Chain	Residue
B	HIS51
B	ILE79
B	TRP83
B	ASP169
B	LEU172
B	GLY173
B	PHE176
B	TYR209
B	VAL262
B	ALA263
B	UMP302

site_id	AC5
Number of Residues	14
Details	BINDING SITE FOR RESIDUE UMP C 304

Chain	Residue
C	ARG21
C	CYS146
C	HIS147
C	GLN165
C	ARG166
C	SER167
C	CYS168
C	ASP169
C	ASN177
C	HIS207
C	TYR209
C	CB3305
D	ARG126
D	ARG127

site_id	AC6
Number of Residues	18
Details	BINDING SITE FOR RESIDUE CB3 C 305

Chain	Residue
B	LYS259
C	GLU58
C	THR78
C	ILE79
C	TRP83
C	ASP169
C	LEU172
C	GLY173
C	PHE176
C	TYR209
C	ALA263
C	UMP304
C	HOH438
C	HOH471
C	HOH487
C	HOH513
C	HOH581
C	HOH604

site_id	AC7
Number of Residues	13
Details	BINDING SITE FOR RESIDUE UMP D 306

Chain	Residue
D	CB3307
C	ARG126
D	ARG21
D	CYS146
D	HIS147
D	GLN165
D	ARG166
D	SER167
D	CYS168
D	ASP169
D	ASN177
D	HIS207
D	TYR209

site_id	AC8
Number of Residues	14
Details	BINDING SITE FOR RESIDUE CB3 D 307

Chain	Residue
D	LYS48
D	ILE79
D	TRP83
D	ASP169
D	LEU172
D	GLY173
D	PHE176
D	ASN177
D	TYR209
D	ILE258
D	VAL262
D	ALA263
D	UMP306
D	HOH537

site_id	AC9
Number of Residues	15
Details	BINDING SITE FOR RESIDUE UMP E 308

Chain	Residue
E	ARG21
E	CYS146
E	HIS147
E	GLN165
E	ARG166
E	SER167
E	CYS168
E	ASP169
E	ASN177
E	HIS207
E	TYR209
E	CB3309
E	HOH546
E	HOH595
F	ARG126

site_id	BC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CB3 E 309

Chain	Residue
E	ILE79
E	ASP169
E	LEU172
E	GLY173
E	PHE176
E	UMP308

site_id	BC2
Number of Residues	14
Details	BINDING SITE FOR RESIDUE UMP F 310

Chain	Residue
E	ARG126
E	ARG127
F	ARG21
F	CYS146
F	HIS147
F	GLN165
F	ARG166
F	SER167
F	ASP169
F	ASN177
F	HIS207
F	TYR209
F	CB3311
F	HOH669

site_id	BC3
Number of Residues	13
Details	BINDING SITE FOR RESIDUE CB3 F 311

Chain	Residue
F	LYS48
F	HIS51
F	SER54
F	GLU58
F	ILE79
F	TRP83
F	ASP169
F	LEU172
F	GLY173
F	PHE176
F	TYR209
F	ALA263
F	UMP310

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	6
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	42
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	12
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	6
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	CSA10
Number of Residues	3
Details	Annotated By Reference To The Literature 1b02

Chain	Residue	Details
D	SER180
D	ASN177
D	CYS146

site_id	CSA11
Number of Residues	3
Details	Annotated By Reference To The Literature 1b02

Chain	Residue	Details
E	SER180
E	ASN177
E	CYS146

site_id	CSA12
Number of Residues	3
Details	Annotated By Reference To The Literature 1b02

Chain	Residue	Details
F	SER180
F	ASN177
F	CYS146

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	6
Details	Annotated By Reference To The Literature 1b02

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

site_id	CSA6
Number of Residues	6
Details	Annotated By Reference To The Literature 1b02

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

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

Chain	Residue	Details
A	SER180
A	ASN177
A	CYS146

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

Chain	Residue	Details
B	SER180
B	ASN177
B	CYS146

site_id	CSA9
Number of Residues	3
Details	Annotated By Reference To The Literature 1b02

Chain	Residue	Details
C	SER180
C	ASN177
C	CYS146

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