Structure of PDB 3riw Chain B Binding Site BS02

Receptor Information

>3riw Chain B (length=268) Species: 347515 (Leishmania major strain Friedlin)

TSEEPPFDIRALRADIEDMISEKLELGPSLIRLAWHEAASYDCFKKDGSP
NSASMRFKPECLYAGNKGLDIPRKALETLKKKYPQISYADLWVLAAYVAI
EYMGGPTIPFCWGRVDAKDGSVCGPDGRLPDGSKTQSHVREVFRRLGFND
QETVALIGAHTCGETHIEFSGYHGPWTHDKNGFDNSFFTQLLDEDWVLNP
KVEQMQLMDRATTKLMMLPSDVCLLLDPSYRKYVELYAKDNDRFNKDFAN
AFKKLTELGTRNLHKAPA

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 3riw Chain B Residue 309

Receptor-Ligand Complex Structure

Structure summary

• 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): E37 S40 S49 S54 E60
• 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): R32 H36 A64 H160 W176 D221
• 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

External links

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