3MEL

Crystal Structure of Thiamin pyrophosphokinase family protein from Enterococcus faecalis, Northeast Structural Genomics Consortium Target EfR150

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0004788	molecular_function	thiamine diphosphokinase activity
A	0005524	molecular_function	ATP binding
A	0006772	biological_process	thiamine metabolic process
A	0009229	biological_process	thiamine diphosphate biosynthetic process
A	0016301	molecular_function	kinase activity
A	0016740	molecular_function	transferase activity
A	0030975	molecular_function	thiamine binding
A	0042723	biological_process	thiamine-containing compound metabolic process
A	0044281	biological_process	small molecule metabolic process
A	0046872	molecular_function	metal ion binding
B	0000166	molecular_function	nucleotide binding
B	0004788	molecular_function	thiamine diphosphokinase activity
B	0005524	molecular_function	ATP binding
B	0006772	biological_process	thiamine metabolic process
B	0009229	biological_process	thiamine diphosphate biosynthetic process
B	0016301	molecular_function	kinase activity
B	0016740	molecular_function	transferase activity
B	0030975	molecular_function	thiamine binding
B	0042723	biological_process	thiamine-containing compound metabolic process
B	0044281	biological_process	small molecule metabolic process
B	0046872	molecular_function	metal ion binding
C	0000166	molecular_function	nucleotide binding
C	0004788	molecular_function	thiamine diphosphokinase activity
C	0005524	molecular_function	ATP binding
C	0006772	biological_process	thiamine metabolic process
C	0009229	biological_process	thiamine diphosphate biosynthetic process
C	0016301	molecular_function	kinase activity
C	0016740	molecular_function	transferase activity
C	0030975	molecular_function	thiamine binding
C	0042723	biological_process	thiamine-containing compound metabolic process
C	0044281	biological_process	small molecule metabolic process
C	0046872	molecular_function	metal ion binding
D	0000166	molecular_function	nucleotide binding
D	0004788	molecular_function	thiamine diphosphokinase activity
D	0005524	molecular_function	ATP binding
D	0006772	biological_process	thiamine metabolic process
D	0009229	biological_process	thiamine diphosphate biosynthetic process
D	0016301	molecular_function	kinase activity
D	0016740	molecular_function	transferase activity
D	0030975	molecular_function	thiamine binding
D	0042723	biological_process	thiamine-containing compound metabolic process
D	0044281	biological_process	small molecule metabolic process
D	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	12
Details	BINDING SITE FOR RESIDUE TPP A 902

Chain	Residue
A	LYS75
B	TYR187
B	SER189
B	ASN190
A	ASP76
A	THR78
A	ASP79
A	THR80
A	HIS108
A	MG223
B	TYR174
B	LEU176

---

site_id	AC2
Number of Residues	11
Details	BINDING SITE FOR RESIDUE TPP D 902

Chain	Residue
C	TYR174
C	LEU176
C	TYR187
C	SER189
D	LYS75
D	ASP76
D	THR78
D	ASP79
D	THR80
D	HIS108
D	MG223

---

site_id	AC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE PO4 C 223

Chain	Residue
B	ARG55
C	GLY9
C	ASP30
C	ARG31
C	SER52
C	HOH226

---

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE PO4 B 223

Chain	Residue
B	GLY9
B	ASP30
B	ARG31
B	SER52

---

site_id	AC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG D 223

Chain	Residue
D	ASP30
D	ASP49
D	ASP51
D	ASP79
D	TPP902

---

site_id	AC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG A 223

Chain	Residue
A	ASP30
A	ASP49
A	ASP51
A	ASP79
A	TPP902

---

site_id	AC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MG B 224

Chain	Residue
B	ASP30
B	ASP49
B	ASP51
B	ASP79

---

site_id	AC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE MG C 224

Chain	Residue
C	ASP30
C	ASP49
C	ASP79

---

site_id	AC9
Number of Residues	2
Details	BINDING SITE FOR RESIDUE MG C 225

Chain	Residue
B	MG225
C	ASP51

---

site_id	BC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MG B 225

Chain	Residue
B	PHE50
B	LEU53
B	TYR58
C	MG225

---

site_id	BC2
Number of Residues	1
Details	BINDING SITE FOR RESIDUE MG A 224

Chain	Residue
A	HIS59

---

site_id	BC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE MG A 225

Chain	Residue
A	ASN166
A	SER200

---

site_id	BC4
Number of Residues	1
Details	BINDING SITE FOR RESIDUE MG A 226

Chain	Residue
A	ASP76

---

site_id	BC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE MG D 224

Chain	Residue
D	SER2
D	GLN93
D	ALA94

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