Structure of PDB 3riv Chain A Binding Site BS02

Receptor Information

>3riv 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
ETVALIGAHTCGECHIEFSGYHGPWTHDKNGFDNSFFTQLLDEDWVLNPK
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

3riv Chain A Residue 308 [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	3riv Crystal Structure of Leishmania major Peroxidase and Characterization of the Compound I Tryptophan Radical.
Resolution	1.76 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 H192 W208 D253
Catalytic site (residue number reindexed from 1)	R31 H35 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:3riv, PDBe:3riv, PDBj:3riv
PDBsum	3riv
PubMed	21566139
UniProt	Q4Q3K2

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