Structure of PDB 5amm Chain B Binding Site BS02

Receptor Information

>5amm Chain B (length=267) Species: 5664 (Leishmania major)

SEEPPFDIRALRADIEDMISEKLELGPSLIRLAWHEAASYDCFKKDGSPN
SASMRFKPECLYAGNKGLDIPRKALETLKKKYPQISYADLWVLAAYVAIE
YMGGPTIPFCWGRVDAKDGSVCGPDGRLPDGSKTQSHVREVFRRLGFNDQ
ETVALIGAHTCGECHIEFSGYHGPWTHNKNGFDNSFFTQLLDEDWVLNPK
VEQMQLMDRATTKLMMLPSDVCLLLDPSYRKYVELYAKDNDRFNKDFANA
FKKLTELGTRNLHKAPA

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: 5amm Chain B Residue 309

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5amm Bind and Crawl" Association Mechanism of Leishmania Major Peroxidase and Cytochrome C Revealed by Brownian and Molecular Dynamics Simulations.
• Resolution: 2.09 Å
• Binding residue (original residue number in PDB): E69 S72 S81 E92
• Binding residue (residue number reindexed from 1): E36 S39 S48 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

External links

• PDB: RCSB:5amm, PDBe:5amm, PDBj:5amm
• PDBsum: 5amm
• PubMed: 26598276
• UniProt: Q4Q3K2