Structure of PDB 5jy9 Chain A Binding Site BS01

Receptor Information

>5jy9 Chain A (length=401) Species: 393305 (Yersinia enterocolitica subsp. enterocolitica 8081)

EFLHWLPTISGVLRQFAEEECYVYERQPCWYLGKGCQARLHINADGTQAT
FIDDAGEQKWAVDSIADCARRFMAHPQVKGRRVYGQVGFNFAAHARGIAF
NAGEWPLLTLTVPREELIFEKGNVTVYAAPLAVDTALNGEAYKQQVARAV
AEIRRGEYVKVIVSRAIPLPSRIDMPATLLYGRQANTPVRSFMFRQEGRE
ALGFSPELVMSVTGNKVVTEPLAGTRDRMGNPEHNKAKEAELLHDSKEVL
EHILSVKEAIAELEAVCLPGSVVVEDLMSVRQRGSVQHLGSGVSGQLAEN
KDAWDAFTVLFPSITASGIPKNAALNAIMQIEKTPRELYSGAILLLDDTR
FDAALVLRSVFQDSQRCWIQAGAGIIAQSTPERELTETREKLASIAPYLM
V

Ligand information

• Ligand ID: FE2
• InChI: InChI=1S/Fe/q+2
• InChIKey: CWYNVVGOOAEACU-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Fe+2]
  CACTVS 3.341: [Fe++]
• Formula: Fe
• Name: FE (II) ION
• DrugBank: DB14510
• PDB chain: 5jy9 Chain A Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5jy9 An Open and Shut Case: The Interaction of Magnesium with MST Enzymes.
• Resolution: 2.162 Å
• Binding residue (original residue number in PDB): E284 G407 E420
• Binding residue (residue number reindexed from 1): E251 G374 E387
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): K193 E240 A256 E284 H321 T348 Y372 R391 G407 E420 K424
• Catalytic site (residue number reindexed from 1): K160 E207 A223 E251 H288 T315 Y339 R358 G374 E387 K391

Gene Ontology

Molecular Function

• GO:0008909 isochorismate synthase activity
• GO:0016833 oxo-acid-lyase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0000162 tryptophan biosynthetic process
• GO:0009058 biosynthetic process

External links

• PDB: RCSB:5jy9, PDBe:5jy9, PDBj:5jy9
• PDBsum: 5jy9
• PubMed: 27373320
• UniProt: A1JTF3