5CIC

Complex of yeast cytochrome c peroxidase (W191G) bound to 3-aminobenzotrifluoride with iso-1 cytochrome c

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
B	0005515	molecular_function	protein binding
B	0005739	cellular_component	mitochondrion
B	0005758	cellular_component	mitochondrial intermembrane space
B	0006122	biological_process	mitochondrial electron transport, ubiquinol to cytochrome c
B	0006123	biological_process	mitochondrial electron transport, cytochrome c to oxygen
B	0009055	molecular_function	electron transfer activity
B	0020037	molecular_function	heme binding
B	0046872	molecular_function	metal ion binding
B	0070469	cellular_component	respirasome
B	1901612	molecular_function	cardiolipin binding
C	0004601	molecular_function	peroxidase activity
C	0006979	biological_process	response to oxidative stress
C	0020037	molecular_function	heme binding
C	0034599	biological_process	cellular response to oxidative stress
D	0005515	molecular_function	protein binding
D	0005739	cellular_component	mitochondrion
D	0005758	cellular_component	mitochondrial intermembrane space
D	0006122	biological_process	mitochondrial electron transport, ubiquinol to cytochrome c
D	0006123	biological_process	mitochondrial electron transport, cytochrome c to oxygen
D	0009055	molecular_function	electron transfer activity
D	0020037	molecular_function	heme binding
D	0046872	molecular_function	metal ion binding
D	0070469	cellular_component	respirasome
D	1901612	molecular_function	cardiolipin binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	18
Details	binding site for residue HEC A 301

Chain	Residue
A	PRO44
A	THR180
A	HIS181
A	ASN184
A	SER185
A	PHE266
A	51R302
A	HOH413
A	HOH448
A	HOH449
A	ARG48
A	TRP51
A	PRO145
A	ASP146
A	ALA174
A	HIS175
A	GLY178
A	LYS179

---

site_id	AC2
Number of Residues	10
Details	binding site for residue 51R A 302

Chain	Residue
A	HIS175
A	LEU177
A	THR180
A	GLY189
A	PRO190
A	GLY191
A	MET230
A	LEU232
A	HEC301
A	HOH420

---

site_id	AC3
Number of Residues	20
Details	binding site for residue HEC B 201

Chain	Residue
B	ARG13
B	CYS14
B	CYS17
B	HIS18
B	VAL28
B	ARG38
B	SER40
B	GLY41
B	TYR46
B	TYR48
B	THR49
B	ASN52
B	TRP59
B	TYR67
B	LEU68
B	THR78
B	LYS79
B	MET80
B	PHE82
B	LEU94

---

site_id	AC4
Number of Residues	20
Details	binding site for residue HEC C 301

Chain	Residue
C	PRO44
C	ARG48
C	TRP51
C	PRO145
C	ALA147
C	LEU171
C	ALA174
C	HIS175
C	LEU177
C	GLY178
C	LYS179
C	THR180
C	HIS181
C	ASN184
C	SER185
C	PHE266
C	51R302
C	HOH420
C	HOH436
C	HOH481

---

site_id	AC5
Number of Residues	10
Details	binding site for residue 51R C 302

Chain	Residue
C	HIS175
C	LEU177
C	THR180
C	GLY191
C	MET230
C	MET231
C	LEU232
C	ASP235
C	HEC301
C	HOH404

---

site_id	AC6
Number of Residues	20
Details	binding site for Di-peptide HEM D 201 and CYS D 14

Chain	Residue
D	PHE10
D	ARG13
D	LEU15
D	GLN16
D	CYS17
D	HIS18
D	VAL28
D	PRO30
D	ILE35
D	SER40
D	GLY41
D	TYR46
D	TYR48
D	THR49
D	ASN52
D	TRP59
D	THR78
D	LYS79
D	MET80
D	LEU94

---

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. GPvlVRLaWHIS

Chain	Residue	Details
A	GLY43-SER54

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	BINDING: covalent => ECO:0000269|PubMed:11880631, ECO:0000269|PubMed:18390544, ECO:0007744|PDB:1KYO, ECO:0007744|PDB:3CX5

Chain	Residue	Details
B	CYS14
B	CYS17
D	CYS14
D	CYS17

---

site_id	SWS_FT_FI2
Number of Residues	4
Details	BINDING: axial binding residue => ECO:0000269|PubMed:11880631, ECO:0000269|PubMed:18390544, ECO:0007744|PDB:1KYO, ECO:0007744|PDB:3CX5

Chain	Residue	Details
B	HIS18
B	MET80
D	HIS18
D	MET80

---

site_id	SWS_FT_FI3
Number of Residues	2
Details	MOD_RES: N6,N6,N6-trimethyllysine; by CTM1 => ECO:0000269|PubMed:10791961, ECO:0000269|PubMed:11880631, ECO:0007744|PDB:1KYO

Chain	Residue	Details
B	LYS72
D	LYS72

---

site_id	SWS_FT_FI4
Number of Residues	2
Details	MOD_RES: N6,N6,N6-trimethyllysine => ECO:0000269|PubMed:10821864, ECO:0000269|PubMed:18390544

Chain	Residue	Details
B	LYS73
D	LYS73

---

site_id	SWS_FT_FI5
Number of Residues	2
Details	MOD_RES: Phosphotyrosine => ECO:0007744|PubMed:18407956

Chain	Residue	Details
A	TYR153
C	TYR153

---

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	GLY191	single electron acceptor, single electron donor

---

site_id	MCSA2
Number of Residues	3
Details	M-CSA 709

Chain	Residue	Details
C	ARG48	electrostatic stabiliser
C	HIS52	electrostatic stabiliser, proton acceptor, proton donor
C	GLY191	single electron acceptor, single electron donor

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