Structure of PDB 3riw Chain A Binding Site BS02

Receptor Information

>3riw Chain A (length=267) Species: 347515 (Leishmania major strain Friedlin) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

SEEPPFDIRALRADIEDMISEKLELGPSLIRLAWHEAASYDCFKKDGSPN
SASMRFKPECLYAGNKGLDIPRKALETLKKKYPQISYADLWVLAAYVAIE
YMGGPTIPFCWGRVDAKDGSVCGPDGRLPDGSKTQSHVREVFRRLGFNDQ
ETVALIGAHTCGETHIEFSGYHGPWTHDKNGFDNSFFTQLLDEDWVLNPK
VEQMQLMDRATTKLMMLPSDVCLLLDPSYRKYVELYAKDNDRFNKDFANA
FKKLTELGTRNLHKAPA

Ligand information

Ligand ID

InChI

InChI=1S/Ca/q+2

InChIKey

BHPQYMZQTOCNFJ-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Ca++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Ca+2]

Formula

Name

CALCIUM ION

PDB chain

3riw Chain A Residue 306 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	3riw Crystal Structure of Leishmania major Peroxidase and Characterization of the Compound I Tryptophan Radical.
Resolution	2.37 Å
Binding residue (original residue number in PDB)	E69 S72 S81 S86 E92
Binding residue (residue number reindexed from 1)	E36 S39 S48 S53 E59
Annotation score	1

Enzymatic activity

Catalytic site (original residue number in PDB)	R64 H68 A96 H192 W208 D253
Catalytic site (residue number reindexed from 1)	R31 H35 A63 H159 W175 D220
Enzyme Commision number	1.11.1.5: cytochrome-c peroxidase.

Gene Ontology

	Molecular Function
GO:0004601	peroxidase activity
GO:0020037	heme binding

	Biological Process
GO:0006979	response to oxidative stress
GO:0034599	cellular response to oxidative stress

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Molecular Function

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Biological Process

External links

PDB	RCSB:3riw, PDBe:3riw, PDBj:3riw
PDBsum	3riw
PubMed	21566139
UniProt	Q4Q3K2

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