Structure of PDB 4k7y Chain A Binding Site BS02

Receptor Information

>4k7y Chain A (length=399) Species: 27292 (Saccharomyces pastorianus)

SFVKDFKPQALGDTNLFKPIKIGNNELLHRAVIPPLTRMRALHPGNIPNR
DWAVEYYTQRAQRPGTMIITEGAFISPQAGGYDNAPGVWSEEQMVEWTKI
FNAIHEKKSFVWVQLTVLGWAAFPDNLARDGLRYDSASDNVFMDAEQEAK
AKKANNPQHSLTKDEIKQYIKEYVQAAKNSIAAGADGVEIHSANGYLLNQ
FLDPHSNTRTDEYGGSIENRARFTLEVVDALVEAIGHEKVGLRLSPYGVF
NSMSGGAETGIVAQYAYVAGELEKRAKAGKRLAFVHLVEPRVTNPFLTEG
EGEYEGGSNDFVYSIWKGPVIRAGNFALHPEVVREEVKDKRTLIGYGRFF
ISNPDLVDRLEKGLPLNKYDRDTFYQMSAHGYIDYPTYEEALKLGWDKK

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: 4k7y Chain A Residue 406

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4k7y X‑ray Crystallography Reveals How Subtle Changes Control the Orientation of Substrate Binding in an Alkene Reductase
• Resolution: 1.199 Å
• Binding residue (original residue number in PDB): D372 Y375 Q376
• Binding residue (residue number reindexed from 1): D372 Y375 Q376
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): T37 H191 N194 Y196 R243 N251
• Catalytic site (residue number reindexed from 1): T37 H191 N194 Y196 R243 N251
• Enzyme Commision number: 1.6.99.1: NADPH dehydrogenase.

Gene Ontology

Molecular Function

• GO:0003959 NADPH dehydrogenase activity
• GO:0010181 FMN binding
• GO:0016491 oxidoreductase activity

External links

• PDB: RCSB:4k7y, PDBe:4k7y, PDBj:4k7y
• PDBsum: 4k7y
• UniProt: Q02899|OYE1_SACPS NADPH dehydrogenase 1 (Gene Name=OYE1)