Structure of PDB 3sl1 Chain A Binding Site BS01

Receptor Information

>3sl1 Chain A (length=308) Species: 36329 (Plasmodium falciparum 3D7)

KNVSIIGSPLAAGQPLGGVQLACDDLRKLGLHNVIDVLGWKYEDIGNIDN
CYYDNIRNIKEIGIFSKNLFDTMSNELRKKNFVLNIGGDHGVAFSSILSS
LQMYQNLRVIWIDAHGDINIPETSPSGNYHGMTLAHTLGLFKKKVPYFEW
SENLTYLKPENTAIIGIRDIDAYEKIILKKCNINYYTIFDIEKNGIYNTI
CTALEKIDPNSNCPIHISLDIDSVDNVFAPGTGTVAKGGLNYREINLLMK
ILAETKRVVSMDLVEYNPSLDEVDKKVHGDSLPILDNATKTGKLCLELIA
RVLGYDIV

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: 3sl1 Chain A Residue 412

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3sl1 Binding of alpha , alpha-disubstituted amino acids to arginase suggests new avenues for inhibitor design.
• Resolution: 1.902 Å
• Binding residue (original residue number in PDB): D216 H218 D323 D325
• Binding residue (residue number reindexed from 1): D113 H115 D220 D222
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H193 D216 H218 D220 H233 D323 D325 E368
• Catalytic site (residue number reindexed from 1): H90 D113 H115 D117 H130 D220 D222 E265
• 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:3sl1, PDBe:3sl1, PDBj:3sl1
• PDBsum: 3sl1
• PubMed: 21728378
• UniProt: Q8I384|ARGI_PLAF7 Arginase (Gene Name=ARG)