1CMP

SMALL MOLECULE BINDING TO AN ARTIFICIALLY CREATED CAVITY AT THE ACTIVE SITE OF CYTOCHROME C PEROXIDASE

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	7
Details	BINDING SITE FOR RESIDUE DMI A 295

Chain	Residue
A	HIS175
A	LEU177
A	THR180
A	GLY191
A	MET230
A	LEU232
A	ASP235

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site_id	AC2
Number of Residues	18
Details	BINDING SITE FOR RESIDUE HEM A 296

Chain	Residue
A	TRP51
A	PRO145
A	ASP146
A	LEU171
A	ALA174
A	HIS175
A	LEU177
A	GLY178
A	LYS179
A	HIS181
A	ASN184
A	SER185
A	HOH302
A	HOH311
A	HOH313
A	HOH314
A	PRO44
A	ARG48

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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

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

Chain	Residue	Details
A	GLY43-SER54

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	ACT_SITE: Proton acceptor

Chain	Residue	Details
A	HIS52

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site_id	SWS_FT_FI2
Number of Residues	1
Details	ACT_SITE: Tryptophan radical intermediate => ECO:0000269|PubMed:2851317

Chain	Residue	Details
A	GLY191

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site_id	SWS_FT_FI3
Number of Residues	1
Details	BINDING: axial binding residue => ECO:0000269|PubMed:10722697, ECO:0000269|PubMed:11170452, ECO:0000269|PubMed:2169873, ECO:0000269|PubMed:6092361, ECO:0000269|PubMed:8384877, ECO:0000269|PubMed:8673607

Chain	Residue	Details
A	HIS175

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site_id	SWS_FT_FI4
Number of Residues	1
Details	SITE: Transition state stabilizer

Chain	Residue	Details
A	ARG48

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site_id	SWS_FT_FI5
Number of Residues	1
Details	MOD_RES: Phosphotyrosine => ECO:0007744|PubMed:18407956

Chain	Residue	Details
A	TYR153

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Catalytic Information from CSA

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

Chain	Residue	Details
A	ARG48
A	HIS52
A	ASN82

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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

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