4Y4M

Thiazole synthase Thi4 from Methanocaldococcus jannaschii

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0005506	molecular_function	iron ion binding
A	0009228	biological_process	thiamine biosynthetic process
A	0009229	biological_process	thiamine diphosphate biosynthetic process
A	0016740	molecular_function	transferase activity
A	0016763	molecular_function	pentosyltransferase activity
A	0046872	molecular_function	metal ion binding
A	0052837	biological_process	thiazole biosynthetic process
B	0005506	molecular_function	iron ion binding
B	0009228	biological_process	thiamine biosynthetic process
B	0009229	biological_process	thiamine diphosphate biosynthetic process
B	0016740	molecular_function	transferase activity
B	0016763	molecular_function	pentosyltransferase activity
B	0046872	molecular_function	metal ion binding
B	0052837	biological_process	thiazole biosynthetic process
C	0005506	molecular_function	iron ion binding
C	0009228	biological_process	thiamine biosynthetic process
C	0009229	biological_process	thiamine diphosphate biosynthetic process
C	0016740	molecular_function	transferase activity
C	0016763	molecular_function	pentosyltransferase activity
C	0046872	molecular_function	metal ion binding
C	0052837	biological_process	thiazole biosynthetic process
D	0005506	molecular_function	iron ion binding
D	0009228	biological_process	thiamine biosynthetic process
D	0009229	biological_process	thiamine diphosphate biosynthetic process
D	0016740	molecular_function	transferase activity
D	0016763	molecular_function	pentosyltransferase activity
D	0046872	molecular_function	metal ion binding
D	0052837	biological_process	thiazole biosynthetic process
E	0005506	molecular_function	iron ion binding
E	0009228	biological_process	thiamine biosynthetic process
E	0009229	biological_process	thiamine diphosphate biosynthetic process
E	0016740	molecular_function	transferase activity
E	0016763	molecular_function	pentosyltransferase activity
E	0046872	molecular_function	metal ion binding
E	0052837	biological_process	thiazole biosynthetic process
F	0005506	molecular_function	iron ion binding
F	0009228	biological_process	thiamine biosynthetic process
F	0009229	biological_process	thiamine diphosphate biosynthetic process
F	0016740	molecular_function	transferase activity
F	0016763	molecular_function	pentosyltransferase activity
F	0046872	molecular_function	metal ion binding
F	0052837	biological_process	thiazole biosynthetic process
G	0005506	molecular_function	iron ion binding
G	0009228	biological_process	thiamine biosynthetic process
G	0009229	biological_process	thiamine diphosphate biosynthetic process
G	0016740	molecular_function	transferase activity
G	0016763	molecular_function	pentosyltransferase activity
G	0046872	molecular_function	metal ion binding
G	0052837	biological_process	thiazole biosynthetic process
H	0005506	molecular_function	iron ion binding
H	0009228	biological_process	thiamine biosynthetic process
H	0009229	biological_process	thiamine diphosphate biosynthetic process
H	0016740	molecular_function	transferase activity
H	0016763	molecular_function	pentosyltransferase activity
H	0046872	molecular_function	metal ion binding
H	0052837	biological_process	thiazole biosynthetic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	23
Details	binding site for residue 48F A 301

Chain	Residue
A	VAL42
A	GLY74
A	ILE136
A	VAL138
A	ALA178
A	THR179
A	GLY180
A	SER184
A	GLY229
A	MET230
A	GLY242
A	GLY43
A	PHE245
A	MET248
D	HIS164
D	ASP166
A	GLY45
A	PRO46
A	SER47
A	GLU66
A	ARG67
A	HIS68
A	GLY73

---

site_id	AC2
Number of Residues	6
Details	binding site for residue NHE A 302

Chain	Residue
A	ASP198
A	PRO200
A	VAL221
A	SER235
A	HIS236
C	GLU196

---

site_id	AC3
Number of Residues	23
Details	binding site for residue 48F B 301

Chain	Residue
B	VAL42
B	GLY43
B	GLY45
B	PRO46
B	SER47
B	GLU66
B	ARG67
B	HIS68
B	GLY73
B	GLY74
B	ILE136
B	VAL137
B	VAL138
B	ALA178
B	THR179
B	GLY180
B	SER184
B	GLY229
B	MET230
B	GLY242
B	MET248
F	HIS164
F	ASP166

---

site_id	AC4
Number of Residues	23
Details	binding site for residue 48F C 301

Chain	Residue
B	HIS164
B	ASP166
C	VAL42
C	GLY43
C	GLY45
C	PRO46
C	SER47
C	GLU66
C	ARG67
C	HIS68
C	GLY73
C	GLY74
C	ILE136
C	VAL138
C	ALA178
C	THR179
C	GLY180
C	SER184
C	GLY229
C	MET230
C	GLY242
C	PHE245
C	MET248

---

site_id	AC5
Number of Residues	4
Details	binding site for residue NHE C 302

Chain	Residue
C	ALA197
C	ASP198
C	SER235
C	HIS236

---

site_id	AC6
Number of Residues	22
Details	binding site for residue 48F D 301

Chain	Residue
E	HIS164
E	ASP166
D	VAL42
D	GLY43
D	GLY45
D	PRO46
D	SER47
D	GLU66
D	ARG67
D	HIS68
D	GLY73
D	GLY74
D	ILE136
D	VAL138
D	ALA178
D	THR179
D	GLY180
D	SER184
D	GLY229
D	MET230
D	GLY242
D	MET248

---

site_id	AC7
Number of Residues	23
Details	binding site for residue 48F E 301

Chain	Residue
E	VAL42
E	GLY43
E	GLY45
E	PRO46
E	SER47
E	GLU66
E	ARG67
E	HIS68
E	GLY73
E	GLY74
E	ILE136
E	VAL138
E	ALA178
E	THR179
E	GLY180
E	SER184
E	GLY229
E	MET230
E	MET241
E	GLY242
E	MET248
G	HIS164
G	ASP166

---

site_id	AC8
Number of Residues	25
Details	binding site for residue 48F F 301

Chain	Residue
F	VAL42
F	GLY43
F	GLY45
F	PRO46
F	SER47
F	GLU66
F	ARG67
F	HIS68
F	GLY73
F	GLY74
F	ILE136
F	VAL138
F	ALA178
F	THR179
F	GLY180
F	SER184
F	GLY229
F	MET230
F	GLY242
F	PHE245
F	MET248
F	HOH401
F	HOH402
H	HIS164
H	ASP166

---

site_id	AC9
Number of Residues	4
Details	binding site for residue NHE F 302

Chain	Residue
F	ALA197
F	ASP198
F	SER235
G	GLU196

---

site_id	AD1
Number of Residues	25
Details	binding site for residue 48F G 301

Chain	Residue
A	HIS164
A	ASP166
G	VAL42
G	GLY43
G	GLY45
G	PRO46
G	SER47
G	GLU66
G	ARG67
G	HIS68
G	GLY73
G	GLY74
G	ILE136
G	VAL138
G	ALA178
G	THR179
G	GLY180
G	SER184
G	GLY229
G	MET230
G	GLY242
G	PHE245
G	MET248
G	HOH401
G	HOH402

---

site_id	AD2
Number of Residues	6
Details	binding site for residue NHE G 302

Chain	Residue
F	GLU196
G	ALA197
G	ASP198
G	PRO200
G	SER235
G	HIS236

---

site_id	AD3
Number of Residues	24
Details	binding site for residue 48F H 301

Chain	Residue
C	HIS164
C	ASP166
H	VAL42
H	GLY43
H	GLY45
H	PRO46
H	SER47
H	GLU66
H	ARG67
H	HIS68
H	GLY73
H	GLY74
H	ILE136
H	VAL137
H	VAL138
H	ALA178
H	THR179
H	GLY180
H	SER184
H	GLY229
H	MET230
H	GLY242
H	PHE245
H	MET248

---

site_id	AD4
Number of Residues	7
Details	binding site for residue NHE H 302

Chain	Residue
D	GLU196
H	ALA197
H	ASP198
H	PRO200
H	VAL221
H	SER235
H	HIS236

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	48
Details	Binding site: {"description":"in other chain","evidences":[{"source":"PubMed","id":"26919468","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	16
Details	Binding site: {"evidences":[{"source":"PubMed","id":"26919468","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	16
Details	Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_00304","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	8
Details	Binding site: {"description":"in other chain","evidences":[{"source":"HAMAP-Rule","id":"MF_00304","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---