4FN6

Structural Characterization of Thiaminase type II TenA from Staphylococcus aureus

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0005829	cellular_component	cytosol
A	0006772	biological_process	thiamine metabolic process
A	0006790	biological_process	sulfur compound metabolic process
A	0009228	biological_process	thiamine biosynthetic process
A	0009229	biological_process	thiamine diphosphate biosynthetic process
A	0016787	molecular_function	hydrolase activity
A	0044281	biological_process	small molecule metabolic process
A	0050334	molecular_function	thiaminase activity
A	0072527	biological_process	pyrimidine-containing compound metabolic process
A	1901615	biological_process	organic hydroxy compound metabolic process
B	0005829	cellular_component	cytosol
B	0006772	biological_process	thiamine metabolic process
B	0006790	biological_process	sulfur compound metabolic process
B	0009228	biological_process	thiamine biosynthetic process
B	0009229	biological_process	thiamine diphosphate biosynthetic process
B	0016787	molecular_function	hydrolase activity
B	0044281	biological_process	small molecule metabolic process
B	0050334	molecular_function	thiaminase activity
B	0072527	biological_process	pyrimidine-containing compound metabolic process
B	1901615	biological_process	organic hydroxy compound metabolic process
C	0005829	cellular_component	cytosol
C	0006772	biological_process	thiamine metabolic process
C	0006790	biological_process	sulfur compound metabolic process
C	0009228	biological_process	thiamine biosynthetic process
C	0009229	biological_process	thiamine diphosphate biosynthetic process
C	0016787	molecular_function	hydrolase activity
C	0044281	biological_process	small molecule metabolic process
C	0050334	molecular_function	thiaminase activity
C	0072527	biological_process	pyrimidine-containing compound metabolic process
C	1901615	biological_process	organic hydroxy compound metabolic process
D	0005829	cellular_component	cytosol
D	0006772	biological_process	thiamine metabolic process
D	0006790	biological_process	sulfur compound metabolic process
D	0009228	biological_process	thiamine biosynthetic process
D	0009229	biological_process	thiamine diphosphate biosynthetic process
D	0016787	molecular_function	hydrolase activity
D	0044281	biological_process	small molecule metabolic process
D	0050334	molecular_function	thiaminase activity
D	0072527	biological_process	pyrimidine-containing compound metabolic process
D	1901615	biological_process	organic hydroxy compound metabolic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ACT A 301

Chain	Residue
A	SER190
A	ASP191
A	HOH431
C	SER188
C	MET189

---

site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ACT A 302

Chain	Residue
A	ASP44
A	TYR47
A	CME137
A	GLU208

---

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL A 303

Chain	Residue
A	ASP21
A	ASP22
A	ASN213
A	HOH423

---

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ACT B 301

Chain	Residue
B	LYS6
B	GLN9
B	ALA10
B	LYS198

---

site_id	AC5
Number of Residues	1
Details	BINDING SITE FOR RESIDUE ACT B 302

Chain	Residue
B	ASP21

---

site_id	AC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL B 303

Chain	Residue
B	HIS122
B	SER123
B	GLU125
C	LYS61
C	ALA121
C	HIS122
C	ARG124

---

site_id	AC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL C 301

Chain	Residue
C	ASP44
C	PHE51
C	TYR113
C	CME137
C	TYR141
C	GLU208

---

site_id	AC8
Number of Residues	1
Details	BINDING SITE FOR RESIDUE GOL C 302

Chain	Residue
C	TRP106

---

site_id	AC9
Number of Residues	2
Details	BINDING SITE FOR RESIDUE ACT C 303

Chain	Residue
B	SER190
C	SER188

---

site_id	BC1
Number of Residues	2
Details	BINDING SITE FOR RESIDUE ACT C 304

Chain	Residue
C	MET78
C	CME137

---

site_id	BC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ACT D 301

Chain	Residue
D	ASP44
D	PHE51
D	CME137
D	TYR141
D	GLU208

---

site_id	BC3
Number of Residues	1
Details	BINDING SITE FOR RESIDUE ACT D 302

Chain	Residue
D	GLU157

---

site_id	BC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE ACT D 303

Chain	Residue
A	HIS122
A	SER123
D	SER123

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	ACT_SITE: Nucleophile => ECO:0000250|UniProtKB:P25052

Chain	Residue	Details
A	CME137
B	CME137
C	CME137
D	CME137

---

site_id	SWS_FT_FI2
Number of Residues	4
Details	ACT_SITE: Proton donor => ECO:0000250|UniProtKB:P25052

Chain	Residue	Details
A	GLU208
B	GLU208
C	GLU208
D	GLU208

---

site_id	SWS_FT_FI3
Number of Residues	12
Details	BINDING: BINDING => ECO:0000250|UniProtKB:P25052

Chain	Residue	Details
A	ASP44
D	ASP44
D	TYR141
D	TYR167
A	TYR141
A	TYR167
B	ASP44
B	TYR141
B	TYR167
C	ASP44
C	TYR141
C	TYR167

---

site_id	SWS_FT_FI4
Number of Residues	4
Details	SITE: Increases nucleophilicity of active site Cys => ECO:0000250|UniProtKB:P25052

Chain	Residue	Details
A	TYR47
B	TYR47
C	TYR47
D	TYR47

---