5CGA

Structure of Hydroxyethylthiazole kinase ThiM from Staphylococcus aureus in complex with substrate analog 2-(1,3,5-trimethyl-1H-pyrazole-4-yl)ethanol

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000287	molecular_function	magnesium ion binding
A	0004417	molecular_function	hydroxyethylthiazole kinase activity
A	0005524	molecular_function	ATP binding
A	0009228	biological_process	thiamine biosynthetic process
A	0009229	biological_process	thiamine diphosphate biosynthetic process
A	0016301	molecular_function	kinase activity
A	0046872	molecular_function	metal ion binding
B	0000287	molecular_function	magnesium ion binding
B	0004417	molecular_function	hydroxyethylthiazole kinase activity
B	0005524	molecular_function	ATP binding
B	0009228	biological_process	thiamine biosynthetic process
B	0009229	biological_process	thiamine diphosphate biosynthetic process
B	0016301	molecular_function	kinase activity
B	0046872	molecular_function	metal ion binding
C	0000287	molecular_function	magnesium ion binding
C	0004417	molecular_function	hydroxyethylthiazole kinase activity
C	0005524	molecular_function	ATP binding
C	0009228	biological_process	thiamine biosynthetic process
C	0009229	biological_process	thiamine diphosphate biosynthetic process
C	0016301	molecular_function	kinase activity
C	0046872	molecular_function	metal ion binding
E	0000287	molecular_function	magnesium ion binding
E	0004417	molecular_function	hydroxyethylthiazole kinase activity
E	0005524	molecular_function	ATP binding
E	0009228	biological_process	thiamine biosynthetic process
E	0009229	biological_process	thiamine diphosphate biosynthetic process
E	0016301	molecular_function	kinase activity
E	0046872	molecular_function	metal ion binding
F	0000287	molecular_function	magnesium ion binding
F	0004417	molecular_function	hydroxyethylthiazole kinase activity
F	0005524	molecular_function	ATP binding
F	0009228	biological_process	thiamine biosynthetic process
F	0009229	biological_process	thiamine diphosphate biosynthetic process
F	0016301	molecular_function	kinase activity
F	0046872	molecular_function	metal ion binding
H	0000287	molecular_function	magnesium ion binding
H	0004417	molecular_function	hydroxyethylthiazole kinase activity
H	0005524	molecular_function	ATP binding
H	0009228	biological_process	thiamine biosynthetic process
H	0009229	biological_process	thiamine diphosphate biosynthetic process
H	0016301	molecular_function	kinase activity
H	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	8
Details	binding site for residue KP6 A 301

Chain	Residue
A	ASN19
A	GLY61
A	THR186
A	GLY187
A	CYS190
B	PRO37
B	ALA38
B	MET39

---

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

Chain	Residue
A	GLY116
A	GLU120
A	HOH404
A	HOH413
A	ASP88

---

site_id	AC3
Number of Residues	8
Details	binding site for residue KP6 B 301

Chain	Residue
B	ASN19
B	GLY61
B	VAL90
B	THR186
B	GLY187
C	PRO37
C	ALA38
C	MET39

---

site_id	AC4
Number of Residues	4
Details	binding site for residue MG B 302

Chain	Residue
B	ASP88
B	GLY116
B	GLU120
B	HOH418

---

site_id	AC5
Number of Residues	9
Details	binding site for residue KP6 C 301

Chain	Residue
A	PRO37
A	ALA38
A	MET39
C	ASN19
C	GLY61
C	THR186
C	GLY187
C	CYS190
C	HOH429

---

site_id	AC6
Number of Residues	4
Details	binding site for residue MG C 302

Chain	Residue
C	ASP88
C	GLY116
C	GLU120
C	HOH412

---

site_id	AC7
Number of Residues	7
Details	binding site for residue KP6 E 301

Chain	Residue
E	ASN19
E	GLY61
E	THR186
E	GLY187
F	PRO37
F	ALA38
F	MET39

---

site_id	AC8
Number of Residues	3
Details	binding site for residue MG E 302

Chain	Residue
E	ASP88
E	GLU120
E	HOH441

---

site_id	AC9
Number of Residues	8
Details	binding site for residue KP6 F 301

Chain	Residue
F	ASN19
F	GLY61
F	THR186
F	GLY187
F	HOH401
H	PRO37
H	ALA38
H	MET39

---

site_id	AD1
Number of Residues	7
Details	binding site for residue KP6 H 301

Chain	Residue
E	PRO37
E	ALA38
E	MET39
H	ASN19
H	GLY61
H	THR186
H	GLY187

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	24
Details	BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00228

Chain	Residue	Details
E	MET39
E	LYS115
E	THR160
E	GLY187
F	MET39
F	LYS115
F	THR160
F	GLY187
H	MET39
H	LYS115
H	THR160
H	GLY187
A	MET39
A	LYS115
A	THR160
A	GLY187
B	LYS115
B	THR160
B	GLY187
C	MET39
C	LYS115
C	THR160
C	GLY187
B	MET39

---