Structure of PDB 5zef Chain A Binding Site BS02

Receptor Information

>5zef Chain A (length=294) Species: 5759 (Entamoeba histolytica)

MQFEKVTYIAVPQKYGQKKVGVEEGPKFLEKLGFMNVLEQVAKSVNKKTI
TEPKTPQELGVTNARNLNEVESVNIELRDTIAKEYDVNNLLINIGGDHSI
GLGTIAGVVKAMKPNARVGVVWFDAHPDMNTPENSPSGNIHGMPLACAVG
LGPQRLTSIMPHYITPKDIMYVGIRSIDVGEQFEIQDKHIDHFTAEDVKR
VGMKEVIEAINKKFVDYDVIHLSFDIDGIDPEFILGTGTPVPKGISLEDS
LYFMSEMGKMKKLHSVDIVEYNPKIEEEITGKNVLKCISSLFGI

Ligand information

• Ligand ID: MN
• InChI: InChI=1S/Mn/q+2
• InChIKey: WAEMQWOKJMHJLA-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mn+2]
  CACTVS 3.341: [Mn++]
• Formula: Mn
• Name: MANGANESE (II) ION
• DrugBank: DB06757
• PDB chain: 5zef Chain A Residue 302

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5zef Structural insights into Entamoeba histolytica arginase and structure-based identification of novel non-amino acid based inhibitors as potential antiamoebic molecules.
• Resolution: 2.01 Å
• Binding residue (original residue number in PDB): H98 D124 D128 D225
• Binding residue (residue number reindexed from 1): H98 D124 D128 D225
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.5.3.1: arginase.

Gene Ontology

Molecular Function

• GO:0004053 arginase activity
• GO:0016787 hydrolase activity
• GO:0030145 manganese ion binding
• GO:0042802 identical protein binding
• GO:0046872 metal ion binding

Biological Process

• GO:0000050 urea cycle
• GO:0006525 arginine metabolic process
• GO:0019547 arginine catabolic process to ornithine

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol

External links

• PDB: RCSB:5zef, PDBe:5zef, PDBj:5zef
• PDBsum: 5zef
• PubMed: 31199070
• UniProt: C4LSS0|ARGI_ENTH1 Arginase (Gene Name=ARG)