Structure of PDB 5ve5 Chain A Binding Site BS01

Receptor Information

>5ve5 Chain A (length=350) Species: 398527 (Paraburkholderia phytofirmans PsJN)

SHMLIFRQLFDQQSSTYTYLLADSTTREAVLIDPVFEQVRRDAALIEELG
LHLLYTIDTHVHADHVTGAWMLNRRIGSRIAISAASGAEGADRYLSHGDK
VEFGTRYLTVRATPGHTDGCITLVLDNETMAFTGDCLLIRGTGRTDFQRG
DAHTMFRAVHGQIFTLPTACLLYPAHDYRGLTVTSVGEERRFNPRLGGEL
CEEDFTGYMTNLHLPHPKQIDVAVPANLKCGLAEPDWAPLTCSFAGIWEI
NAQWLEENLRAVEIVDVREPEEFNGPLGRIPAARLISLGELAGRTAELTK
DRPIVTVSRAGGRSAQATVMLRQAGFERVANLPGGMLRWRAEGRVVENGS

Ligand information

• Ligand ID: FE
• InChI: InChI=1S/Fe/q+3
• InChIKey: VTLYFUHAOXGGBS-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: [Fe+3]
• Formula: Fe
• Name: FE (III) ION
• DrugBank: DB13949
• PDB chain: 5ve5 Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5ve5 Structural and biochemical analyses indicate that a bacterial persulfide dioxygenase-rhodanese fusion protein functions in sulfur assimilation.
• Resolution: 2.35 Å
• Binding residue (original residue number in PDB): H58 H114 D133
• Binding residue (residue number reindexed from 1): H60 H116 D135
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): R25 H58 H60 D62 H63 H114 D133 H174
• Catalytic site (residue number reindexed from 1): R27 H60 H62 D64 H65 H116 D135 H176
• Enzyme Commision number: '1.13.11.18
  2.8.1.1'

Gene Ontology

Molecular Function

• GO:0046872 metal ion binding
• GO:0050313 sulfur dioxygenase activity

Biological Process

• GO:0006749 glutathione metabolic process
• GO:0070813 hydrogen sulfide metabolic process

External links

• PDB: RCSB:5ve5, PDBe:5ve5, PDBj:5ve5
• PDBsum: 5ve5
• PubMed: 28684420
• UniProt: B2TEQ2