Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

3JSK

Thiazole synthase from Neurospora crassa

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0005506	molecular_function	iron ion binding
A	0005634	cellular_component	nucleus
A	0005737	cellular_component	cytoplasm
A	0005829	cellular_component	cytosol
A	0008198	molecular_function	ferrous iron binding
A	0009228	biological_process	thiamine biosynthetic process
A	0016763	molecular_function	pentosyltransferase activity
A	0052837	biological_process	thiazole biosynthetic process
A	0160205	molecular_function	cysteine-dependent adenosine diphosphate thiazole synthase activity
B	0005506	molecular_function	iron ion binding
B	0005634	cellular_component	nucleus
B	0005737	cellular_component	cytoplasm
B	0005829	cellular_component	cytosol
B	0008198	molecular_function	ferrous iron binding
B	0009228	biological_process	thiamine biosynthetic process
B	0016763	molecular_function	pentosyltransferase activity
B	0052837	biological_process	thiazole biosynthetic process
B	0160205	molecular_function	cysteine-dependent adenosine diphosphate thiazole synthase activity
C	0005506	molecular_function	iron ion binding
C	0005634	cellular_component	nucleus
C	0005737	cellular_component	cytoplasm
C	0005829	cellular_component	cytosol
C	0008198	molecular_function	ferrous iron binding
C	0009228	biological_process	thiamine biosynthetic process
C	0016763	molecular_function	pentosyltransferase activity
C	0052837	biological_process	thiazole biosynthetic process
C	0160205	molecular_function	cysteine-dependent adenosine diphosphate thiazole synthase activity
D	0005506	molecular_function	iron ion binding
D	0005634	cellular_component	nucleus
D	0005737	cellular_component	cytoplasm
D	0005829	cellular_component	cytosol
D	0008198	molecular_function	ferrous iron binding
D	0009228	biological_process	thiamine biosynthetic process
D	0016763	molecular_function	pentosyltransferase activity
D	0052837	biological_process	thiazole biosynthetic process
D	0160205	molecular_function	cysteine-dependent adenosine diphosphate thiazole synthase activity
E	0005506	molecular_function	iron ion binding
E	0005634	cellular_component	nucleus
E	0005737	cellular_component	cytoplasm
E	0005829	cellular_component	cytosol
E	0008198	molecular_function	ferrous iron binding
E	0009228	biological_process	thiamine biosynthetic process
E	0016763	molecular_function	pentosyltransferase activity
E	0052837	biological_process	thiazole biosynthetic process
E	0160205	molecular_function	cysteine-dependent adenosine diphosphate thiazole synthase activity
F	0005506	molecular_function	iron ion binding
F	0005634	cellular_component	nucleus
F	0005737	cellular_component	cytoplasm
F	0005829	cellular_component	cytosol
F	0008198	molecular_function	ferrous iron binding
F	0009228	biological_process	thiamine biosynthetic process
F	0016763	molecular_function	pentosyltransferase activity
F	0052837	biological_process	thiazole biosynthetic process
F	0160205	molecular_function	cysteine-dependent adenosine diphosphate thiazole synthase activity
G	0005506	molecular_function	iron ion binding
G	0005634	cellular_component	nucleus
G	0005737	cellular_component	cytoplasm
G	0005829	cellular_component	cytosol
G	0008198	molecular_function	ferrous iron binding
G	0009228	biological_process	thiamine biosynthetic process
G	0016763	molecular_function	pentosyltransferase activity
G	0052837	biological_process	thiazole biosynthetic process
G	0160205	molecular_function	cysteine-dependent adenosine diphosphate thiazole synthase activity
H	0005506	molecular_function	iron ion binding
H	0005634	cellular_component	nucleus
H	0005737	cellular_component	cytoplasm
H	0005829	cellular_component	cytosol
H	0008198	molecular_function	ferrous iron binding
H	0009228	biological_process	thiamine biosynthetic process
H	0016763	molecular_function	pentosyltransferase activity
H	0052837	biological_process	thiazole biosynthetic process
H	0160205	molecular_function	cysteine-dependent adenosine diphosphate thiazole synthase activity
I	0005506	molecular_function	iron ion binding
I	0005634	cellular_component	nucleus
I	0005737	cellular_component	cytoplasm
I	0005829	cellular_component	cytosol
I	0008198	molecular_function	ferrous iron binding
I	0009228	biological_process	thiamine biosynthetic process
I	0016763	molecular_function	pentosyltransferase activity
I	0052837	biological_process	thiazole biosynthetic process
I	0160205	molecular_function	cysteine-dependent adenosine diphosphate thiazole synthase activity
J	0005506	molecular_function	iron ion binding
J	0005634	cellular_component	nucleus
J	0005737	cellular_component	cytoplasm
J	0005829	cellular_component	cytosol
J	0008198	molecular_function	ferrous iron binding
J	0009228	biological_process	thiamine biosynthetic process
J	0016763	molecular_function	pentosyltransferase activity
J	0052837	biological_process	thiazole biosynthetic process
J	0160205	molecular_function	cysteine-dependent adenosine diphosphate thiazole synthase activity
K	0005506	molecular_function	iron ion binding
K	0005634	cellular_component	nucleus
K	0005737	cellular_component	cytoplasm
K	0005829	cellular_component	cytosol
K	0008198	molecular_function	ferrous iron binding
K	0009228	biological_process	thiamine biosynthetic process
K	0016763	molecular_function	pentosyltransferase activity
K	0052837	biological_process	thiazole biosynthetic process
K	0160205	molecular_function	cysteine-dependent adenosine diphosphate thiazole synthase activity
L	0005506	molecular_function	iron ion binding
L	0005634	cellular_component	nucleus
L	0005737	cellular_component	cytoplasm
L	0005829	cellular_component	cytosol
L	0008198	molecular_function	ferrous iron binding
L	0009228	biological_process	thiamine biosynthetic process
L	0016763	molecular_function	pentosyltransferase activity
L	0052837	biological_process	thiazole biosynthetic process
L	0160205	molecular_function	cysteine-dependent adenosine diphosphate thiazole synthase activity
M	0005506	molecular_function	iron ion binding
M	0005634	cellular_component	nucleus
M	0005737	cellular_component	cytoplasm
M	0005829	cellular_component	cytosol
M	0008198	molecular_function	ferrous iron binding
M	0009228	biological_process	thiamine biosynthetic process
M	0016763	molecular_function	pentosyltransferase activity
M	0052837	biological_process	thiazole biosynthetic process
M	0160205	molecular_function	cysteine-dependent adenosine diphosphate thiazole synthase activity
N	0005506	molecular_function	iron ion binding
N	0005634	cellular_component	nucleus
N	0005737	cellular_component	cytoplasm
N	0005829	cellular_component	cytosol
N	0008198	molecular_function	ferrous iron binding
N	0009228	biological_process	thiamine biosynthetic process
N	0016763	molecular_function	pentosyltransferase activity
N	0052837	biological_process	thiazole biosynthetic process
N	0160205	molecular_function	cysteine-dependent adenosine diphosphate thiazole synthase activity
O	0005506	molecular_function	iron ion binding
O	0005634	cellular_component	nucleus
O	0005737	cellular_component	cytoplasm
O	0005829	cellular_component	cytosol
O	0008198	molecular_function	ferrous iron binding
O	0009228	biological_process	thiamine biosynthetic process
O	0016763	molecular_function	pentosyltransferase activity
O	0052837	biological_process	thiazole biosynthetic process
O	0160205	molecular_function	cysteine-dependent adenosine diphosphate thiazole synthase activity
P	0005506	molecular_function	iron ion binding
P	0005634	cellular_component	nucleus
P	0005737	cellular_component	cytoplasm
P	0005829	cellular_component	cytosol
P	0008198	molecular_function	ferrous iron binding
P	0009228	biological_process	thiamine biosynthetic process
P	0016763	molecular_function	pentosyltransferase activity
P	0052837	biological_process	thiazole biosynthetic process
P	0160205	molecular_function	cysteine-dependent adenosine diphosphate thiazole synthase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	27
Details	BINDING SITE FOR RESIDUE AHZ A 500

Chain	Residue
A	VAL85
A	VAL184
A	THR246
A	THR247
A	GLY248
A	HIS249
A	PHE253
A	GLY300
A	MET301
A	ARG311
A	MET312
A	GLY86
A	GLY313
A	MET319
A	FE2345
A	HOH350
A	HOH364
A	HOH366
A	HOH385
F	ASP234
A	GLY88
A	SER89
A	CYS90
A	GLU111
A	ALA112
A	GLY118
A	GLY119

site_id	AC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE FE2 A 345

Chain	Residue
A	HIS249
A	AHZ500
F	ASP234

site_id	AC3
Number of Residues	26
Details	BINDING SITE FOR RESIDUE AHZ B 500

Chain	Residue
B	GLY86
B	SER89
B	CYS90
B	VAL110
B	GLU111
B	ALA112
B	GLY118
B	GLY119
B	THR182
B	THR183
B	VAL184
B	THR246
B	THR247
B	GLY248
B	HIS249
B	PHE253
B	GLY300
B	MET301
B	ARG311
B	MET312
B	GLY313
B	MET319
B	FE2345
B	HOH355
H	ASP234
H	PRO235

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE FE2 B 345

Chain	Residue
B	HIS249
B	ARG311
B	AHZ500
H	ASP234

site_id	AC5
Number of Residues	27
Details	BINDING SITE FOR RESIDUE AHZ C 500

Chain	Residue
A	ASP234
C	GLY86
C	GLY88
C	SER89
C	CYS90
C	VAL110
C	GLU111
C	ALA112
C	GLY118
C	GLY119
C	THR183
C	VAL184
C	THR246
C	THR247
C	GLY248
C	HIS249
C	PHE253
C	GLY300
C	MET301
C	ARG311
C	MET312
C	GLY313
C	MET319
C	FE2345
C	HOH347
C	HOH368
C	HOH374

site_id	AC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE FE2 C 345

Chain	Residue
C	HIS249
C	ARG311
C	AHZ500

site_id	AC7
Number of Residues	27
Details	BINDING SITE FOR RESIDUE AHZ D 500

Chain	Residue
D	GLY119
D	THR183
D	VAL184
D	THR246
D	THR247
D	GLY248
D	HIS249
D	PHE253
D	GLY300
D	MET301
D	ARG311
D	MET312
D	GLY313
D	MET319
D	FE2345
D	HOH347
D	HOH354
D	HOH357
B	ASP234
D	VAL85
D	GLY86
D	GLY88
D	SER89
D	CYS90
D	GLU111
D	ALA112
D	GLY118

site_id	AC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE FE2 D 345

Chain	Residue
B	ASP234
D	HIS249
D	ARG311
D	AHZ500

site_id	AC9
Number of Residues	25
Details	BINDING SITE FOR RESIDUE AHZ E 500

Chain	Residue
D	ASP234
E	VAL85
E	GLY86
E	SER89
E	CYS90
E	GLU111
E	ALA112
E	GLY118
E	GLY119
E	THR183
E	VAL184
E	THR246
E	THR247
E	GLY248
E	HIS249
E	PHE253
E	GLY300
E	MET301
E	ARG311
E	MET312
E	GLY313
E	MET319
E	FE2345
E	HOH350
E	HOH369

site_id	BC1
Number of Residues	2
Details	BINDING SITE FOR RESIDUE FE2 E 345

Chain	Residue
E	HIS249
E	AHZ500

site_id	BC2
Number of Residues	27
Details	BINDING SITE FOR RESIDUE AHZ F 500

Chain	Residue
F	VAL85
F	GLY86
F	SER89
F	CYS90
F	VAL110
F	GLU111
F	ALA112
F	GLY118
F	GLY119
F	THR183
F	VAL184
F	THR246
F	THR247
F	GLY248
F	PHE253
F	GLY300
F	MET301
F	ARG311
F	MET312
F	GLY313
F	MET319
F	FE2345
F	HOH347
F	HOH359
F	HOH360
F	HOH361
G	ASP234

site_id	BC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE FE2 F 345

Chain	Residue
F	HIS249
F	AHZ500

site_id	BC4
Number of Residues	27
Details	BINDING SITE FOR RESIDUE AHZ G 500

Chain	Residue
C	ASP234
G	VAL85
G	GLY86
G	GLY88
G	SER89
G	CYS90
G	VAL110
G	GLU111
G	ALA112
G	GLY118
G	GLY119
G	VAL184
G	THR246
G	THR247
G	GLY248
G	HIS249
G	PHE253
G	GLY300
G	MET301
G	ARG311
G	MET312
G	GLY313
G	MET319
G	FE2345
G	HOH348
G	HOH361
G	HOH362

site_id	BC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE FE2 G 345

Chain	Residue
C	ASP234
G	HIS249
G	AHZ500

site_id	BC6
Number of Residues	23
Details	BINDING SITE FOR RESIDUE AHZ H 500

Chain	Residue
E	ASP234
H	GLY86
H	SER89
H	CYS90
H	VAL110
H	GLU111
H	ALA112
H	GLY118
H	GLY119
H	THR183
H	VAL184
H	THR246
H	THR247
H	GLY248
H	PHE253
H	GLY300
H	MET301
H	ARG311
H	MET312
H	GLY313
H	MET319
H	FE2345
H	HOH347

site_id	BC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE FE2 H 345

Chain	Residue
H	HIS249
H	ARG311
H	AHZ500

site_id	BC8
Number of Residues	27
Details	BINDING SITE FOR RESIDUE AHZ I 500

Chain	Residue
I	VAL85
I	GLY86
I	SER89
I	CYS90
I	VAL110
I	GLU111
I	ALA112
I	GLY118
I	GLY119
I	THR183
I	VAL184
I	THR246
I	THR247
I	GLY248
I	HIS249
I	PHE253
I	GLY300
I	MET301
I	ARG311
I	MET312
I	GLY313
I	MET319
I	FE2345
I	HOH355
I	HOH366
I	HOH367
N	ASP234

site_id	BC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE FE2 I 345

Chain	Residue
I	HIS249
I	AHZ500
N	ASP234

site_id	CC1
Number of Residues	26
Details	BINDING SITE FOR RESIDUE AHZ J 500

Chain	Residue
J	VAL85
J	GLY86
J	SER89
J	CYS90
J	VAL110
J	GLU111
J	ALA112
J	GLY118
J	GLY119
J	THR183
J	VAL184
J	THR246
J	THR247
J	GLY248
J	HIS249
J	PHE253
J	GLY300
J	MET301
J	ARG311
J	MET312
J	GLY313
J	MET319
J	FE2345
J	HOH358
J	HOH359
P	ASP234

site_id	CC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE FE2 J 345

Chain	Residue
J	HIS249
J	ARG311
J	AHZ500
P	ASP234

site_id	CC3
Number of Residues	27
Details	BINDING SITE FOR RESIDUE AHZ K 500

Chain	Residue
I	ASP234
K	VAL85
K	GLY86
K	SER89
K	CYS90
K	VAL110
K	GLU111
K	ALA112
K	GLY118
K	GLY119
K	THR183
K	VAL184
K	THR246
K	THR247
K	GLY248
K	HIS249
K	PHE253
K	GLY300
K	MET301
K	ARG311
K	MET312
K	GLY313
K	MET319
K	FE2345
K	HOH348
K	HOH352
K	HOH362

site_id	CC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE FE2 K 345

Chain	Residue
K	HIS249
K	AHZ500

site_id	CC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE FE2 K 346

Chain	Residue
K	ASP234
O	HIS249
O	AHZ500

site_id	CC6
Number of Residues	24
Details	BINDING SITE FOR RESIDUE AHZ L 500

Chain	Residue
J	ASP234
L	GLY86
L	SER89
L	CYS90
L	VAL110
L	GLU111
L	ALA112
L	GLY118
L	GLY119
L	THR183
L	VAL184
L	THR246
L	THR247
L	GLY248
L	HIS249
L	PHE253
L	GLY300
L	MET301
L	ARG311
L	MET312
L	GLY313
L	MET319
L	FE2345
L	HOH384

site_id	CC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE FE2 L 345

Chain	Residue
J	ASP234
L	HIS249
L	ARG311
L	AHZ500

site_id	CC8
Number of Residues	24
Details	BINDING SITE FOR RESIDUE AHZ M 500

Chain	Residue
L	ASP234
M	GLY86
M	SER89
M	CYS90
M	VAL110
M	GLU111
M	ALA112
M	GLY118
M	GLY119
M	THR183
M	VAL184
M	THR246
M	THR247
M	GLY248
M	HIS249
M	PHE253
M	GLY300
M	MET301
M	ARG311
M	MET312
M	GLY313
M	MET319
M	FE2345
M	HOH362

site_id	CC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE FE2 M 345

Chain	Residue
L	ASP234
M	HIS249
M	ARG311
M	AHZ500

site_id	DC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE FE2 M 346

Chain	Residue
M	ASP234
P	HIS249
P	ARG311
P	AHZ500

site_id	DC2
Number of Residues	27
Details	BINDING SITE FOR RESIDUE AHZ N 500

Chain	Residue
N	VAL85
N	GLY86
N	GLY88
N	SER89
N	CYS90
N	VAL110
N	GLU111
N	ALA112
N	GLY118
N	GLY119
N	THR183
N	VAL184
N	THR246
N	THR247
N	GLY248
N	HIS249
N	PHE253
N	GLY300
N	MET301
N	ARG311
N	MET312
N	GLY313
N	MET319
N	FE2345
N	HOH348
N	HOH360
O	ASP234

site_id	DC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE FE2 N 345

Chain	Residue
N	HIS249
N	AHZ500
O	ASP234

site_id	DC4
Number of Residues	26
Details	BINDING SITE FOR RESIDUE AHZ O 500

Chain	Residue
K	ASP234
K	FE2346
O	VAL85
O	GLY86
O	SER89
O	CYS90
O	VAL110
O	GLU111
O	ALA112
O	GLY118
O	GLY119
O	THR183
O	VAL184
O	THR246
O	THR247
O	GLY248
O	HIS249
O	PHE253
O	GLY300
O	MET301
O	ARG311
O	MET312
O	GLY313
O	MET319
O	HOH349
O	HOH350

site_id	DC5
Number of Residues	27
Details	BINDING SITE FOR RESIDUE AHZ P 500

Chain	Residue
M	ASP234
M	FE2346
P	VAL85
P	GLY86
P	GLY88
P	SER89
P	CYS90
P	VAL110
P	GLU111
P	ALA112
P	GLY118
P	GLY119
P	THR183
P	VAL184
P	THR246
P	THR247
P	GLY248
P	HIS249
P	PHE253
P	GLY300
P	MET301
P	ARG311
P	MET312
P	GLY313
P	MET319
P	HOH348
P	HOH365

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	144
Details	Binding site: {}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	16
Details	Modified residue: {"description":"2,3-didehydroalanine (Cys)","evidences":[{"source":"HAMAP-Rule","id":"MF_03158","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)