6NNR

high-resolution structure of wild-type E. coli thymidylate synthase

Replaces:  4KNZReplaces:  2G8OReplaces:  4IW5

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

Functional Information from PDB Data

site_id	AC1
Number of Residues	16
Details	binding site for residue UMC A 901

Chain	Residue
A	ARG21
A	HIS207
A	TYR209
A	CB3902
A	HOH1117
A	HOH1146
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	26
Details	binding site for residue CB3 A 902

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	UMC901
A	HOH1073
A	HOH1079
A	HOH1086
A	HOH1121
A	HOH1129
A	HOH1134
A	HOH1142
A	HOH1171
A	HOH1173
A	HOH1214
A	HOH1239
A	HOH1250

---

site_id	AC3
Number of Residues	6
Details	binding site for residue NA A 903

Chain	Residue
A	HIS51
A	ASN76
A	HOH1173
A	HOH1214
A	HOH1275
A	HOH1342

---

site_id	AC4
Number of Residues	12
Details	binding site for residue EPE A 904

Chain	Residue
A	GLN39
A	GLU195
A	HOH1033
A	HOH1046
A	HOH1056
A	HOH1062
A	HOH1064
A	HOH1130
A	HOH1258
B	LYS120
B	ASP193
B	LYS235

---

site_id	AC5
Number of Residues	8
Details	binding site for residue EPE A 905

Chain	Residue
A	ALA155
A	ASP156
A	GLY157
A	HOH1007
A	HOH1031
A	HOH1138
B	HIS217
B	SER221

---

site_id	AC6
Number of Residues	25
Details	binding site for residue CB3 B 302

Chain	Residue
B	GLU58
B	ILE79
B	TRP80
B	TRP83
B	LEU143
B	ASP169
B	GLY173
B	PHE176
B	ASN177
B	TYR209
B	ILE258
B	VAL262
B	ALA263
B	UMC301
B	HOH440
B	HOH443
B	HOH445
B	HOH482
B	HOH487
B	HOH516
B	HOH535
B	HOH536
B	HOH572
B	HOH626
B	HOH639

---

site_id	AC7
Number of Residues	19
Details	binding site for Di-peptide UMC B 301 and CYS B 146

Chain	Residue
B	HIS147
B	ALA148
B	GLN165
B	ARG166
B	SER167
B	CYS168
B	ASP169
B	ASN177
B	HIS207
B	TYR209
B	CB3302
B	HOH464
B	HOH493
A	ARG126
A	ARG127
B	ARG21
B	TYR94
B	ALA144
B	PRO145

---

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	2
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	14
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	4
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	2
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

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