Structure of PDB 3qss Chain A Binding Site BS03

Receptor Information

>3qss Chain A (length=383) Species: 69000 (Bacillus sp. B-0618)

STHFDVIVVGAGSMGMAAGYQLAKQGVKTLLVDAFDPPHTNGSHHGDTRI
IRHAYGEGREYVPLALRSQELWYELEKETHHKIFTKTGVLVFGPKGESAF
VAETMEAAKEHSLTVDLLEGDEINKRWPGITVPENYNAIFEPNSGVLFSE
NCIRAYRELAEARGAKVLTHTRVEDFDISPDSVKIETANGSYTADKLIVS
MGAWNSKLLSKLNLDIPLQPYRQVVGFFESDESKYSNDIDFPGFMVEVPN
GIYYGFPSFGGCGLKLGYHTFGQKIDPDTINREFGVYPEDESNLRAFLEE
YMPGANGELKRGAVCMYTKTLDEHFIIDLHPEHSNVVIAAGFSGHGFKFS
SGVGEVLSQLALTGKTEHDISIFSINRPALKES

Ligand information

• Ligand ID: CL
• InChI: InChI=1S/ClH/h1H/p-1
• InChIKey: VEXZGXHMUGYJMC-UHFFFAOYSA-M
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: [Cl-]
• Formula: Cl
• Name: CHLORIDE ION
• DrugBank: DB14547
• PDB chain: 3qss Chain A Residue 404

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3qss Probing oxygen activation sites in two flavoprotein oxidases using chloride as an oxygen surrogate.
• Resolution: 1.85 Å
• Binding residue (original residue number in PDB): V225 K265
• Binding residue (residue number reindexed from 1): V225 K265
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H45 T48 R49 R52 S98 Y254 K265 H269 C315 H345 K348
• Catalytic site (residue number reindexed from 1): H45 T48 R49 R52 S98 Y254 K265 H269 C315 H345 K348
• Enzyme Commision number: 1.5.3.1: sarcosine oxidasee (formaldehyde-forming).

Gene Ontology

Molecular Function

• GO:0008115 sarcosine oxidase activity
• GO:0016491 oxidoreductase activity
• GO:0050660 flavin adenine dinucleotide binding

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol

External links

• PDB: RCSB:3qss, PDBe:3qss, PDBj:3qss
• PDBsum: 3qss
• PubMed: 21568312
• UniProt: P40859|MSOX_BACB0 Monomeric sarcosine oxidase (Gene Name=soxA)