Structure of PDB 2fxi Chain A Binding Site BS01

Receptor Information

>2fxi Chain A (length=131) Species: 1280 (Staphylococcus aureus)

MDKKTIYFISTGNSARSQMAEGWGKEILGEGWNVYSAGIETHGVNPKAIE
AMKEVDIDISNHTSDLIDNDILKQSDLVVTLCSDADNNCPILPPNVKKEH
WGFDDPAGKEWSEFQRVRDEIKLAIEKFKLR

Ligand information

• Ligand ID: K
• InChI: InChI=1S/K/q+1
• InChIKey: NPYPAHLBTDXSSS-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: [K+]
• Formula: K
• Name: POTASSIUM ION
• ChEMBL: CHEMBL1233793
• DrugBank: DB01345
• PDB chain: 2fxi Chain A Residue 141

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2fxi Interplay Between Ion Binding and Catalysis in the Thioredoxin-coupled Arsenate Reductase Family.
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): N13 Q18 E21 S36 T63 S64 D65
• Binding residue (residue number reindexed from 1): N13 Q18 E21 S36 T63 S64 D65
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): S10 T11 G12 N13 S14 A15 R16 S17 S36 T63 D65 C82 C89 D105
• Catalytic site (residue number reindexed from 1): S10 T11 G12 N13 S14 A15 R16 S17 S36 T63 D65 C82 C89 D105
• Enzyme Commision number: 1.20.4.4: arsenate reductase (thioredoxin).

Gene Ontology

Molecular Function

• GO:0004725 protein tyrosine phosphatase activity
• GO:0016491 oxidoreductase activity
• GO:0030612 arsenate reductase (thioredoxin) activity
• GO:0046872 metal ion binding

Biological Process

• GO:0046685 response to arsenic-containing substance

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:2fxi, PDBe:2fxi, PDBj:2fxi
• PDBsum: 2fxi
• PubMed: 16797027
• UniProt: P0A006|ARSC_STAAU Arsenate reductase (Gene Name=arsC)