6J61

Crystal Structure of Thymidylate Synthase, Thy1, from Thermus thermophilus having an Extra C Terminal Domain

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004799	molecular_function	thymidylate synthase activity
A	0006231	biological_process	dTMP biosynthetic process
A	0006235	biological_process	dTTP biosynthetic process
A	0008168	molecular_function	methyltransferase activity
A	0009165	biological_process	nucleotide biosynthetic process
A	0016740	molecular_function	transferase activity
A	0032259	biological_process	methylation
A	0050660	molecular_function	flavin adenine dinucleotide binding
A	0050797	molecular_function	thymidylate synthase (FAD) activity
A	0070402	molecular_function	NADPH binding
B	0004799	molecular_function	thymidylate synthase activity
B	0006231	biological_process	dTMP biosynthetic process
B	0006235	biological_process	dTTP biosynthetic process
B	0008168	molecular_function	methyltransferase activity
B	0009165	biological_process	nucleotide biosynthetic process
B	0016740	molecular_function	transferase activity
B	0032259	biological_process	methylation
B	0050660	molecular_function	flavin adenine dinucleotide binding
B	0050797	molecular_function	thymidylate synthase (FAD) activity
B	0070402	molecular_function	NADPH binding
C	0004799	molecular_function	thymidylate synthase activity
C	0006231	biological_process	dTMP biosynthetic process
C	0006235	biological_process	dTTP biosynthetic process
C	0008168	molecular_function	methyltransferase activity
C	0009165	biological_process	nucleotide biosynthetic process
C	0016740	molecular_function	transferase activity
C	0032259	biological_process	methylation
C	0050660	molecular_function	flavin adenine dinucleotide binding
C	0050797	molecular_function	thymidylate synthase (FAD) activity
C	0070402	molecular_function	NADPH binding
D	0004799	molecular_function	thymidylate synthase activity
D	0006231	biological_process	dTMP biosynthetic process
D	0006235	biological_process	dTTP biosynthetic process
D	0008168	molecular_function	methyltransferase activity
D	0009165	biological_process	nucleotide biosynthetic process
D	0016740	molecular_function	transferase activity
D	0032259	biological_process	methylation
D	0050660	molecular_function	flavin adenine dinucleotide binding
D	0050797	molecular_function	thymidylate synthase (FAD) activity
D	0070402	molecular_function	NADPH binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	21
Details	binding site for residue FAD A 301

Chain	Residue
A	HIS55
B	ARG84
B	THR85
B	ALA86
B	ASN89
B	GLU90
D	ARG82
D	HIS83
D	ARG84
D	THR85
D	HIS179
A	HIS57
D	FAD301
D	PO4302
A	SER59
A	GLU62
A	ASP173
A	HIS175
A	ASN176
A	HOH404
A	HOH409

---

site_id	AC2
Number of Residues	5
Details	binding site for residue PO4 A 302

Chain	Residue
A	GLN79
A	ARG82
A	ARG184
C	PO4303
D	FAD301

---

site_id	AC3
Number of Residues	9
Details	binding site for residue PO4 A 303

Chain	Residue
A	SER92
A	GLY93
A	ARG94
A	ARG157
A	HOH407
C	ARG78
C	GLN79
C	ARG82
C	PO4302

---

site_id	AC4
Number of Residues	5
Details	binding site for residue PO4 B 302

Chain	Residue
B	GLN79
B	ARG82
B	ARG184
C	FAD301
D	PO4303

---

site_id	AC5
Number of Residues	7
Details	binding site for residue PO4 B 303

Chain	Residue
B	SER92
B	GLY93
B	ARG94
B	ARG157
D	GLN79
D	ARG82
D	PO4302

---

site_id	AC6
Number of Residues	17
Details	binding site for residue FAD B 301

Chain	Residue
A	ARG84
A	THR85
A	ALA86
A	ASN89
A	GLU90
B	HIS55
B	HIS57
B	SER59
B	HIS175
B	ASN176
C	ARG82
C	HIS83
C	ARG84
C	THR85
C	HIS179
C	FAD301
C	PO4302

---

site_id	AC7
Number of Residues	20
Details	binding site for residue FAD C 301

Chain	Residue
B	ARG82
B	HIS83
B	ARG84
B	THR85
B	HIS179
B	LEU183
B	FAD301
B	PO4302
C	HIS55
C	HIS57
C	SER59
C	THR85
C	ASP173
C	HIS175
C	ASN176
D	ARG84
D	THR85
D	ALA86
D	ASN89
D	GLU90

---

site_id	AC8
Number of Residues	7
Details	binding site for residue PO4 C 303

Chain	Residue
A	GLN79
A	ARG82
A	PO4302
C	SER92
C	GLY93
C	ARG94
C	ARG157

---

site_id	AC9
Number of Residues	5
Details	binding site for residue PO4 C 302

Chain	Residue
A	PO4303
B	FAD301
C	GLN79
C	ARG82
C	ARG184

---

site_id	AD1
Number of Residues	21
Details	binding site for residue FAD D 301

Chain	Residue
A	THR85
A	HIS179
A	FAD301
A	PO4302
C	ARG84
C	THR85
C	ALA86
C	ASN89
C	GLU90
C	SER92
C	TYR95
D	HIS57
D	SER59
D	HIS175
D	ASN176
D	HOH402
D	HOH405
D	HOH410
A	ARG82
A	HIS83
A	ARG84

---

site_id	AD2
Number of Residues	7
Details	binding site for residue PO4 D 303

Chain	Residue
B	GLN79
B	ARG82
B	PO4302
D	SER92
D	GLY93
D	ARG94
D	ARG157

---

site_id	AD3
Number of Residues	5
Details	binding site for residue PO4 D 302

Chain	Residue
A	FAD301
B	PO4303
D	GLN79
D	ARG82
D	ARG184

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	40
Details	Motif: {"description":"ThyX motif","evidences":[{"source":"HAMAP-Rule","id":"MF_01408","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	4
Details	Active site: {"description":"Involved in ionization of N3 of dUMP, leading to its activation","evidences":[{"source":"HAMAP-Rule","id":"MF_01408","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	44
Details	Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_01408","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	20
Details	Binding site: {"description":"in other chain","evidences":[{"source":"HAMAP-Rule","id":"MF_01408","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---