Structure of PDB 3fxg Chain D Binding Site BS01

Receptor Information

>3fxg Chain D (length=405) Species: 229533 (Fusarium graminearum PH-1)

SVKDFPKIKAIRSFIIGGVGSGGDYHNVKGGHWLIDSDISTPASKWEQYK
KSRTSWGINVLGSFLVEIEATDGTVGFATGFGGPPACWLVHQHFERFLIG
ADPRNTNLLFEQMYRASMFYGRKGLPIAVISVIDLALWDLLGKVRNEPVY
RLIGGATKERLDFYCTGPEPTAAKAMGFWGGKVPLPFCPDDGHEGLRKNV
EFLRKHREAVGPDFPIMVDCYMSLNVSYTIELVKACLDLNINWWEECLSP
DDTDGFALIKRAHPTVKFTTGEHEYSRYGFRKLVEGRNLDIIQPDVMWLG
GLTELLKVAALAAAYDVPVVPHASGPYSYHFQISQPNTPFQEYLANSPDG
KSVLPVFGDLFIDEPIPTKGYLTTADLDKPGFGLTINPAARAKLIPSDYL
FKVPE

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: 3fxg Chain D Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3fxg Crystal structure of rhamnonate dehydratase from Gibberella zeae complexed with Mg
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): D221 E247 E274
• Binding residue (residue number reindexed from 1): D219 E245 E272
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): K184 P186 E196 D221 Y223 E247 G273 E274 Q295 D297 H324 E344
• Catalytic site (residue number reindexed from 1): K182 P184 E194 D219 Y221 E245 G271 E272 Q293 D295 H322 E342

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0016836 hydro-lyase activity
• GO:0046872 metal ion binding
• GO:0050032 L-rhamnonate dehydratase activity

Biological Process

• GO:0016052 carbohydrate catabolic process

External links

• PDB: RCSB:3fxg, PDBe:3fxg, PDBj:3fxg
• PDBsum: 3fxg
• UniProt: D0VX14