Structure of PDB 4lvn Chain A Binding Site BS03

Receptor Information

>4lvn Chain A (length=336) Species: 5833 (Plasmodium falciparum)

HFNDEFRNLQWGLDLSRLDETQELINEHQVMSTRICVIDSGIDYNHPDLK
DNIELNLKELHGRKGFDDDNNGIVDDIYGANFVNNSGNPMDDNYHGTHVS
GIISAIGNNNIGVVGVDVNSKLIICKALDEHKLGRLGDMFKCLDYCISRN
AHMINGSFSFDEYSGIFNSSVEYLQRKGILFFVSASNCSHPKSSTPDIRK
CDLSINAKYPPILSTVYDNVISVANLKKNDNNNHYSLSINSFYSNKYCQL
AAPGTNIYSTAPHNSYRKLNGTSMAAPHVAAIASLIFSINPDLSYKKVIQ
ILKDSIVYLPSLKNMVAWAGYADINKAVNLAIKSKK

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: 4lvn Chain A Residue 704

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4lvn The malaria parasite egress protease SUB1 is a calcium-dependent redox switch subtilisin.
• Resolution: 2.25 Å
• Binding residue (original residue number in PDB): E392 D400 D402 N404 I406 D409
• Binding residue (residue number reindexed from 1): E59 D67 D69 N71 I73 D76
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): D372 H428 N520 S606
• Catalytic site (residue number reindexed from 1): D39 H95 N187 S273
• Enzyme Commision number: 3.4.21.62: subtilisin.

Gene Ontology

Molecular Function

• GO:0004252 serine-type endopeptidase activity
• GO:0008236 serine-type peptidase activity

Biological Process

• GO:0006508 proteolysis

External links

• PDB: RCSB:4lvn, PDBe:4lvn, PDBj:4lvn
• PDBsum: 4lvn
• PubMed: 24785947
• UniProt: O61142|SUB1_PLAFA Subtilisin-like protease 1 (Gene Name=SUB1)