Structure of PDB 4iu1 Chain A Binding Site BS01

Receptor Information

>4iu1 Chain A (length=310) Species: 5665 (Leishmania mexicana)

KKMSIVLAPFSGGQPHSGVELGPDYLLKQGLQQDMEKLGWDTRLERVFDG
KVVEARKASDNGDRIGRVKRPRLTAECTEKIYKCVRRVAEQGRFPLTIGG
DHSIALGTVAGVLSVHPDAGVIWVDAHADINTMSGTVSGNLHGCPLSILL
GLDRENIPECFSWVPQVLKPNKIAYIGLRAVDDEEKKILHDLNIAAFSMH
HVDRYGIDKVVSMAIEAVSPKGTEPVMVSYDVDTIDPLYVPATGTPVRGG
LSFREALFLCERIAECGRLVALDVVECNPLLAATESHVNDTISVGCAIAR
CMMGETLLYT

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: 4iu1 Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4iu1 Crystal structure of arginase from Leishmania mexicana and implications for the inhibition of polyamine biosynthesis in parasitic infections.
• Resolution: 1.95 Å
• Binding residue (original residue number in PDB): H114 D137 D141 D243
• Binding residue (residue number reindexed from 1): H102 D125 D129 D231
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H114 D137 H139 D141 H154 D243 D245 E288
• Catalytic site (residue number reindexed from 1): H102 D125 H127 D129 H142 D231 D233 E276
• Enzyme Commision number: 3.5.3.1: arginase.

Gene Ontology

Molecular Function

• GO:0004053 arginase activity
• GO:0016787 hydrolase activity
• GO:0016813 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in linear amidines
• GO:0030145 manganese ion 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:0005634 nucleus
• GO:0005737 cytoplasm
• GO:0005829 cytosol

External links

• PDB: RCSB:4iu1, PDBe:4iu1, PDBj:4iu1
• PDBsum: 4iu1
• PubMed: 23583962
• UniProt: Q6TUJ5