3BHR

E. coli TS complexed with 5-NO2dUMP and tetrahydrofolate at 1.9 A resolution (space group 152)

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

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE PO4 A 267

Chain	Residue
A	ARG49
A	LYS120
A	PRO256
A	GLY257

---

site_id	AC2
Number of Residues	21
Details	BINDING SITE FOR RESIDUE THG A 266

Chain	Residue
A	GLY173
A	PHE176
A	TYR209
A	ALA263
A	NDU265
A	HOH274
A	HOH280
A	HOH281
A	HOH319
A	HOH320
A	HOH334
A	HOH340
A	HOH341
A	HOH359
A	HOH366
A	HOH367
A	HIS51
A	ILE79
A	TRP83
A	LEU143
A	ASP169

---

site_id	AC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE PO4 A 268

Chain	Residue
A	LEU52
A	PHE244
A	HOH337

---

site_id	AC4
Number of Residues	20
Details	BINDING SITE FOR RESIDUE NDU A 265

Chain	Residue
A	ARG21
A	TRP80
A	TYR94
A	ARG126
A	ARG127
A	LEU143
A	CYS146
A	HIS147
A	GLN165
A	ARG166
A	SER167
A	CYS168
A	ASP169
A	ASN177
A	HIS207
A	TYR209
A	THG266
A	HOH305
A	HOH312
A	HOH313

---

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	1
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	7
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	2
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	1
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	3
Details	Annotated By Reference To The Literature 1b02

Chain	Residue	Details
A	SER180
A	ASN177
A	CYS146

---

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

---