2CCD

Crystal structure of the catalase-peroxidase (KatG) and S315T mutant from Mycobacterium tuberculosis

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004096	molecular_function	catalase activity
A	0004601	molecular_function	peroxidase activity
A	0005515	molecular_function	protein binding
A	0005576	cellular_component	extracellular region
A	0005829	cellular_component	cytosol
A	0005886	cellular_component	plasma membrane
A	0006979	biological_process	response to oxidative stress
A	0009274	cellular_component	peptidoglycan-based cell wall
A	0016491	molecular_function	oxidoreductase activity
A	0016677	molecular_function	oxidoreductase activity, acting on a heme group of donors, nitrogenous group as acceptor
A	0020037	molecular_function	heme binding
A	0042744	biological_process	hydrogen peroxide catabolic process
A	0045739	biological_process	positive regulation of DNA repair
A	0046677	biological_process	response to antibiotic
A	0046872	molecular_function	metal ion binding
A	0070301	biological_process	cellular response to hydrogen peroxide
A	0070402	molecular_function	NADPH binding
A	0070404	molecular_function	NADH binding
A	0098869	biological_process	cellular oxidant detoxification
B	0004096	molecular_function	catalase activity
B	0004601	molecular_function	peroxidase activity
B	0005515	molecular_function	protein binding
B	0005576	cellular_component	extracellular region
B	0005829	cellular_component	cytosol
B	0005886	cellular_component	plasma membrane
B	0006979	biological_process	response to oxidative stress
B	0009274	cellular_component	peptidoglycan-based cell wall
B	0016491	molecular_function	oxidoreductase activity
B	0016677	molecular_function	oxidoreductase activity, acting on a heme group of donors, nitrogenous group as acceptor
B	0020037	molecular_function	heme binding
B	0042744	biological_process	hydrogen peroxide catabolic process
B	0045739	biological_process	positive regulation of DNA repair
B	0046677	biological_process	response to antibiotic
B	0046872	molecular_function	metal ion binding
B	0070301	biological_process	cellular response to hydrogen peroxide
B	0070402	molecular_function	NADPH binding
B	0070404	molecular_function	NADH binding
B	0098869	biological_process	cellular oxidant detoxification

Functional Information from PDB Data

site_id	AC1
Number of Residues	22
Details	BINDING SITE FOR RESIDUE HEM A1741

Chain	Residue
A	PRO100
A	GLY273
A	LYS274
A	THR275
A	HIS276
A	THR314
A	THR315
A	TRP321
A	THR380
A	PHE408
A	TRP412
A	ILE103
A	HOH2035
A	HOH2339
A	HOH2340
A	TRP107
A	VAL230
A	PRO232
A	LEU265
A	ILE266
A	GLY269
A	HIS270

---

site_id	AC2
Number of Residues	23
Details	BINDING SITE FOR RESIDUE HEM B1741

Chain	Residue
B	PRO100
B	LEU101
B	ILE103
B	TRP107
B	VAL230
B	PRO232
B	PHE252
B	LEU265
B	GLY269
B	HIS270
B	GLY273
B	LYS274
B	THR275
B	HIS276
B	THR314
B	THR315
B	TRP321
B	LEU378
B	THR380
B	PHE408
B	HOH2253
B	HOH2254
B	HOH2255

---

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	THR262-PHE272

---

site_id	PS00436
Number of Residues	12
Details	PEROXIDASE_2 Peroxidases active site signature. GPlfIRMaWHAA

Chain	Residue	Details
A	GLY99-ALA110

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2
Details	Active site: {"description":"Proton acceptor","evidences":[{"source":"HAMAP-Rule","id":"MF_01961","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	2
Details	Active site: {"description":"Tryptophan radical intermediate","evidences":[{"source":"PubMed","id":"18052167","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	2
Details	Binding site: {"description":"axial binding residue","evidences":[{"source":"PubMed","id":"15231843","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16566587","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"24185282","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1SJ2","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2CCA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2CCD","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4C51","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	2
Details	Site: {"description":"Transition state stabilizer","evidences":[{"source":"HAMAP-Rule","id":"MF_01961","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	2
Details	Cross-link: {"description":"Tryptophyl-tyrosyl-methioninium (Trp-Tyr) (with M-255); alternate","evidences":[{"source":"HAMAP-Rule","id":"MF_01961","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"15231843","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	4
Details	Cross-link: {"description":"Tryptophyl-tyrosyl-methioninium (Tyr-Met) (with W-107); alternate","evidences":[{"source":"HAMAP-Rule","id":"MF_01961","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"15231843","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	CSA1
Number of Residues	3
Details	Annotated By Reference To The Literature 1apx

Chain	Residue	Details
A	ARG104
A	ASP137
A	HIS108

---

site_id	CSA2
Number of Residues	3
Details	Annotated By Reference To The Literature 1apx

Chain	Residue	Details
B	ARG104
B	ASP137
B	HIS108

---

site_id	CSA3
Number of Residues	3
Details	Annotated By Reference To The Literature 1apx

Chain	Residue	Details
A	ASN138
A	ARG104
A	HIS108

---

site_id	CSA4
Number of Residues	3
Details	Annotated By Reference To The Literature 1apx

Chain	Residue	Details
B	ASN138
B	ARG104
B	HIS108

---