1F4E

CRYSTAL STRUCTURE OF E. COLI THYMIDYLATE SYNTHASE COMPLEXED WITH TOSYL-D-PROLINE

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	6
Details	BINDING SITE FOR RESIDUE SO4 A 403

Chain	Residue
A	HIS51
A	LEU52
A	ARG53
A	GOL402
A	HOH514
A	HOH568

---

site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 404

Chain	Residue
A	HOH607
A	LEU218
A	ARG222
A	HOH597

---

site_id	AC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 A 405

Chain	Residue
A	GLU223
A	ARG225
A	HIS255
A	HOH576
A	HOH583

---

site_id	AC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 A 409

Chain	Residue
A	ILE69
A	ALA70
A	HIS73
A	ASN87
A	GLY88
A	HOH527

---

site_id	AC5
Number of Residues	10
Details	BINDING SITE FOR RESIDUE TPR A 301

Chain	Residue
A	ILE55
A	GLU58
A	ILE79
A	TRP80
A	TYR94
A	CYS146
A	HIS147
A	PHE176
A	ASN177
A	HOH428

---

site_id	AC6
Number of Residues	9
Details	BINDING SITE FOR RESIDUE TPR A 302

Chain	Residue
A	GLN64
A	GLY65
A	ASP66
A	ASP214
A	GLN215
A	LYS259
A	GOL408
A	HOH552
A	HOH613

---

site_id	AC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL A 401

Chain	Residue
A	ARG126
A	ARG166
A	SER167
A	HOH475
A	HOH581

---

site_id	AC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL A 402

Chain	Residue
A	ILE56
A	PHE247
A	GLU248
A	ILE249
A	SO4403
A	HOH584

---

site_id	AC9
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL A 408

Chain	Residue
A	GLN64
A	ARG99
A	ASN211
A	HIS212
A	MET213
A	ASP214
A	GLN215
A	TPR302

---

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	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

---

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

---

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

---

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

---

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	3
Details	Annotated By Reference To The Literature 1b02

Chain	Residue	Details
A	SER180
A	ASN177
A	CYS146

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