5KQK

Crystal structure of the Q233E/N240D variant of the catalase-peroxidase from B. pseudomallei

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004096	molecular_function	catalase activity
A	0004601	molecular_function	peroxidase activity
A	0005829	cellular_component	cytosol
A	0006979	biological_process	response to oxidative stress
A	0016491	molecular_function	oxidoreductase activity
A	0020037	molecular_function	heme binding
A	0042744	biological_process	hydrogen peroxide catabolic process
A	0046872	molecular_function	metal ion binding
A	0070301	biological_process	cellular response to hydrogen peroxide
A	0098869	biological_process	cellular oxidant detoxification
B	0004096	molecular_function	catalase activity
B	0004601	molecular_function	peroxidase activity
B	0005829	cellular_component	cytosol
B	0006979	biological_process	response to oxidative stress
B	0016491	molecular_function	oxidoreductase activity
B	0020037	molecular_function	heme binding
B	0042744	biological_process	hydrogen peroxide catabolic process
B	0046872	molecular_function	metal ion binding
B	0070301	biological_process	cellular response to hydrogen peroxide
B	0098869	biological_process	cellular oxidant detoxification

Functional Information from PDB Data

site_id	AC1
Number of Residues	19
Details	binding site for residue HEM A 801

Chain	Residue
A	GLY104
A	THR284
A	HIS285
A	THR323
A	SER324
A	TRP330
A	THR388
A	OXY804
A	HOH952
A	HOH1049
A	HOH1064
A	LEU105
A	TOX111
A	LEU274
A	ILE275
A	GLY278
A	HIS279
A	GLY282
A	LYS283

---

site_id	AC2
Number of Residues	6
Details	binding site for residue NA A 802

Chain	Residue
A	GLY122
A	ARG123
A	GLY124
A	SER494
A	HOH1091
A	HOH1476

---

site_id	AC3
Number of Residues	3
Details	binding site for residue CL A 803

Chain	Residue
A	GLY124
A	VAL200
A	HOH1476

---

site_id	AC4
Number of Residues	7
Details	binding site for residue OXY A 804

Chain	Residue
A	ARG108
A	TOX111
A	HIS112
A	ASP141
A	HEM801
A	HOH978
A	HOH1034

---

site_id	AC5
Number of Residues	4
Details	binding site for residue MPD A 805

Chain	Residue
A	ASP83
A	PRO154
A	HOH1354
A	HOH1460

---

site_id	AC6
Number of Residues	3
Details	binding site for residue MPD A 806

Chain	Residue
A	TRP309
A	THR323
A	SER324

---

site_id	AC7
Number of Residues	19
Details	binding site for residue HEM B 801

Chain	Residue
B	GLY104
B	LEU105
B	TOX111
B	LEU274
B	ILE275
B	GLY278
B	HIS279
B	GLY282
B	LYS283
B	THR284
B	HIS285
B	THR323
B	SER324
B	TRP330
B	THR388
B	OXY804
B	HOH966
B	HOH991
B	HOH1121

---

site_id	AC8
Number of Residues	6
Details	binding site for residue NA B 802

Chain	Residue
B	GLY122
B	ARG123
B	GLY124
B	SER494
B	HOH945
B	HOH1490

---

site_id	AC9
Number of Residues	3
Details	binding site for residue CL B 803

Chain	Residue
B	GLY124
B	VAL200
B	HOH1490

---

site_id	AD1
Number of Residues	7
Details	binding site for residue OXY B 804

Chain	Residue
B	ARG108
B	TOX111
B	HIS112
B	ASP141
B	HEM801
B	HOH916
B	HOH1411

---

site_id	AD2
Number of Residues	3
Details	binding site for residue MPD B 805

Chain	Residue
B	ARG506
B	HOH1269
B	HOH1555

---

site_id	AD3
Number of Residues	3
Details	binding site for residue MPD B 806

Chain	Residue
B	LEU209
B	ALA290
B	THR323

---

Functional Information from PROSITE/UniProt

site_id	PS00435
Number of Residues	11
Details	PEROXIDASE_1 Peroxidases proximal heme-ligand signature. TVALIAGGHTF

Chain	Residue	Details
A	THR271-PHE281

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2
Details	ACT_SITE: Proton acceptor => ECO:0000255|HAMAP-Rule:MF_01961

Chain	Residue	Details
A	HIS112
B	HIS112

---

site_id	SWS_FT_FI2
Number of Residues	2
Details	BINDING: axial binding residue => ECO:0000255|HAMAP-Rule:MF_01961

Chain	Residue	Details
A	HIS279
B	HIS279

---

site_id	SWS_FT_FI3
Number of Residues	2
Details	SITE: Transition state stabilizer => ECO:0000255|HAMAP-Rule:MF_01961

Chain	Residue	Details
A	ARG108
B	ARG108

---

site_id	SWS_FT_FI4
Number of Residues	2
Details	CROSSLNK: Tryptophyl-tyrosyl-methioninium (Trp-Tyr) (with M-244) => ECO:0000255|HAMAP-Rule:MF_01961

Chain	Residue	Details
A	TOX111
B	TOX111

---

site_id	SWS_FT_FI5
Number of Residues	4
Details	CROSSLNK: Tryptophyl-tyrosyl-methioninium (Tyr-Met) (with W-91) => ECO:0000255|HAMAP-Rule:MF_01961

Chain	Residue	Details
A	TYR238
A	MET264
B	TYR238
B	MET264

---