2XIL

The structure of cytochrome c peroxidase Compound I

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004601	molecular_function	peroxidase activity
A	0006979	biological_process	response to oxidative stress
A	0020037	molecular_function	heme binding
A	0034599	biological_process	cellular response to oxidative stress

Functional Information from PDB Data

site_id	AC1
Number of Residues	9
Details	BINDING SITE FOR RESIDUE MPD A 1295

Chain	Residue
A	LYS59
A	HIS60
A	ASP254
A	ASP256
A	LYS257
A	LYS260
A	HOH2471
A	HOH2671
A	HOH2672

---

site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MRD A 1296

Chain	Residue
A	ASP148
A	SER185
A	TYR187
A	ASN220
A	MPD1300
A	HOH2673

---

site_id	AC3
Number of Residues	7
Details	BINDING SITE FOR RESIDUE MPD A 1297

Chain	Residue
A	LYS12
A	GLU188
A	HOH2498
A	HOH2547
A	HOH2549
A	HOH2564
A	HOH2674

---

site_id	AC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE MRD A 1298

Chain	Residue
A	GLN240
A	HOH2675

---

site_id	AC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MRD A 1299

Chain	Residue
A	LYS264
A	HOH2286
A	HOH2348
A	HOH2628
A	HOH2678

---

site_id	AC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE MPD A 1300

Chain	Residue
A	SER185
A	MRD1296
A	HOH2679

---

site_id	AC7
Number of Residues	24
Details	BINDING SITE FOR RESIDUE HEM A 1301

Chain	Residue
A	PRO44
A	VAL45
A	ARG48
A	TRP51
A	PRO145
A	ASP146
A	ALA147
A	LEU171
A	ALA174
A	HIS175
A	LEU177
A	GLY178
A	LYS179
A	THR180
A	HIS181
A	ASN184
A	SER185
A	TRP191
A	LEU232
A	THR234
A	HOH2188
A	HOH2681
A	HOH2682
A	HOH2683

---

site_id	AC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE PO4 A 1302

Chain	Residue
A	TYR36
A	ASP37
A	HOH2684

---

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	GLU167-LEU177

---

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

Chain	Residue	Details
A	GLY43-SER54

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	Active site: {"description":"Proton acceptor"}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	1
Details	Active site: {"description":"Tryptophan radical intermediate","evidences":[{"source":"PubMed","id":"2851317","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	1
Details	Binding site: {"description":"axial binding residue","evidences":[{"source":"PubMed","id":"10722697","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"11170452","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"2169873","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"6092361","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8384877","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8673607","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	Site: {"description":"Transition state stabilizer"}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	1
Details	Modified residue: {"description":"Phosphotyrosine","evidences":[{"source":"PubMed","id":"18407956","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	3
Details	M-CSA 709

Chain	Residue	Details
A	ARG48	electrostatic stabiliser
A	HIS52	electrostatic stabiliser, proton acceptor, proton donor
A	TRP191	single electron acceptor, single electron donor

---