Structure of PDB 8hp4 Chain B Binding Site BS03

Receptor Information

>8hp4 Chain B (length=530) Species: 5482 (Candida tropicalis)

SEITLGRFFFERLHQLQVDTVFGLPGDFNLALLDKIYEVDGMRWAGNANE
LNAGYAADGYARVNPNGLAALVSTFGVGELSLTNAIAGSYSEHVGIINLV
GVPSLHHTLGNGDFTVFHRMFKNISQTSAFISDPNTAASEIDRCIRDAYV
YQRPVYIGLPSNLVDVKVPKSLLDKKIDLSLHPNEPESQAEVVETVEKFI
SEASNPVILVDACAIRHNCLKEVAELIAETQFPVFTTPMGKSSVDESNPR
FGGVYVGSLSSPDVKEAVESADLVLSVGAMLNVVEFHSDYTKIRQATFPG
VQMKEALQVLLKTVKKSVNPKYVPAPVPATPGNNDPVSQEYLWRKVSDWF
QEGDVIISETGTSAFGIVQSKFPKNAIGISQVLWGSIGYATGATCGAAMA
AQEIDPKKRVILFTGDGSLQLTVQEISTMCKWDCYNTYLYVLNNDGYTIE
RLIHGEKAQYNDIQPWNNLQLLPLFNAKKYETKRISTVGELNDLFTNKEF
AVPDRIRMVEIMLPVMDAPANLVAQAKQSA

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: 8hp4 Chain B Residue 602

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8hp4 Protein engineering of pyruvate decarboxylase to remove the rate-limiting bottleneck in the cascade pathway of tyrosol synthesis
• Resolution: 2.52 Å
• Binding residue (original residue number in PDB): D446 N474 G476
• Binding residue (residue number reindexed from 1): D416 N444 G446
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0003824 catalytic activity
• GO:0004737 pyruvate decarboxylase activity
• GO:0016831 carboxy-lyase activity
• GO:0030976 thiamine pyrophosphate binding
• GO:0046872 metal ion binding

Biological Process

• GO:0000949 aromatic amino acid family catabolic process to alcohol via Ehrlich pathway

Cellular Component

• GO:0005634 nucleus
• GO:0005829 cytosol

External links

• PDB: RCSB:8hp4, PDBe:8hp4, PDBj:8hp4
• PDBsum: 8hp4
• UniProt: C5MDS4