Structure of PDB 6x6u Chain C Binding Site BS03

Receptor Information

>6x6u Chain C (length=623) Species: 1185654 (Pyrococcus furiosus COM1)

MYAYNGKLLDVDLTREKVKEVELSEDVLKKFYGGRGLGTYILWKELGEKW
EKVDPLGEENLLLILTGPLTGYYPGMKTSIVSKSPESNGVVGSVLSSELG
LELKAAGYDGIIIRGKAKSPVYLFIHNDTVEIRDATKYWGMGGIELYKTL
LKEVHEEIRKKEKLKGVPKEPAMIYIGKGGENKVRFAAIMTKLMHAAGYG
GYGAVMGSKNLKAVIAKGSGPLPEVYDKEKMKVLLREFWKELFSMTTFRE
WGTGAGGYSVGHDRSSEPIRNWQEEYHDNEEISVVNFENRTWIKKYWADY
GCPVNCMKISYLRYGPYKGSISDAPDYELQAYMGTNLGIFEPEKIVYLSY
LVDELGLDGINTGNILGFAAELYQRGILTKEDLGFELNWGDEKAFAKLLH
LIVEKEGIGKILAEGTYRAALKISEIKGIDVTKYAVHVKGIAVGAHGIRS
ELDYTKDISYAVSVQGGDHTSTAALPAKGYTGELVEAFYDSAVICNFVTK
PGFEKIIEFGNALSGFNITPEQWLNEIGLRIIHLQRILLLLGGPDVYWDP
RKDDDNPPRFYEPLPSGPVKGKAPNREDIKAKVKQYYEEIGYDEHGIPKE
EVLEELGIGEAKREVKRIKKRLN

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 6x6u Chain C Residue 703

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6x6u An unprecedented function for a tungsten-containing oxidoreductase.
• Resolution: 1.944 Å
• Binding residue (original residue number in PDB): M194 D323 D326
• Binding residue (residue number reindexed from 1): M194 D323 D326
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 1.2.7.5: aldehyde ferredoxin oxidoreductase.

Gene Ontology

Molecular Function

• GO:0009055 electron transfer activity
• GO:0016491 oxidoreductase activity
• GO:0016625 oxidoreductase activity, acting on the aldehyde or oxo group of donors, iron-sulfur protein as acceptor
• GO:0046872 metal ion binding
• GO:0051536 iron-sulfur cluster binding
• GO:0051539 4 iron, 4 sulfur cluster binding

External links

• PDB: RCSB:6x6u, PDBe:6x6u, PDBj:6x6u
• PDBsum: 6x6u
• PubMed: 36269456
• UniProt: I6V2C3