Structure of PDB 2xts Chain A Binding Site BS01

Receptor Information

>2xts Chain A (length=389) Species: 82367 (Paracoccus pantotrophus)

GTPDPLITEIQPWASEFGEAVDAHPYGLPIHFESHVKRQYVEWLTESPVS
SINFTPIHALEGTITPQGCAFERHHSGAIELSKQDYRLMINGLVEKPLVF
TFEDLLRFPRTTTTAFCECAANGGMEWGGAQLEGCQYTQGMIHNMEYVGV
PLSVLLAEAGVKPEGKWLYAEGADASSNGRSFPMEKVMDDVMLAFFANGE
ALRKEHGYPARLVVPGWEGNMWVKWVRRLGIYDKAVESREETSKYTDLMP
DGRARKWTWVMDAKSVITSPSPQVPIRHGKGPLVISGLAWSGNGRITRVD
VSLDGGKNWTTARITGQALPKALTRFHLDIDWDGSEMLLQSRAVDETGYV
QPTKDALRAIRGRNNVYHNNGIQTWWVKADGEVENVEIA

Ligand information

• Ligand ID: 2MO
• InChI: InChI=1S/Mo.2O
• InChIKey: QXYJCZRRLLQGCR-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  CACTVS 3.385
  OpenEye OEToolkits 2.0.7: O=[Mo]=O
• Formula: Mo O2
• Name: MOLYBDENUM (IV)OXIDE
• PDB chain: 2xts Chain A Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2xts Structural Basis for the Oxidation of Protein-Bound Sulfur by the Sulfur Cycle Molybdohemo-Enzyme Sulfane Dehydrogenase Soxcd.
• Resolution: 1.33 Å
• Binding residue (original residue number in PDB): R114 C160 A161 N261 Y286
• Binding residue (residue number reindexed from 1): R73 C119 A120 N220 Y245
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): R114 C160 K285 Y286
• Catalytic site (residue number reindexed from 1): R73 C119 K244 Y245
• Enzyme Commision number: 1.8.2.1: sulfite dehydrogenase (cytochrome).

Gene Ontology

Molecular Function

• GO:0008482 sulfite oxidase activity
• GO:0016491 oxidoreductase activity
• GO:0020037 heme binding
• GO:0030151 molybdenum ion binding
• GO:0043546 molybdopterin cofactor binding
• GO:0046872 metal ion binding

Biological Process

• GO:0006790 sulfur compound metabolic process

External links

• PDB: RCSB:2xts, PDBe:2xts, PDBj:2xts
• PDBsum: 2xts
• PubMed: 21147779
• UniProt: P72178