Structure of PDB 4ppm Chain B Binding Site BS01

Receptor Information

>4ppm Chain B (length=462) Species: 1327989 (Serratia sp. FS14)

ALPASRLAFIDAVIAQTPAREDTLDRYHQYINPMMVDFLKLQRCDNVFRS
AAGTQLYDDAGEAFLDMVAGYGCLNLGHNPQPVVNALKNYLDAQGPNFIQ
YISIPEQTAKLAEVLCRLAPGNMGRVFFSNSGTEAVEAAMKIAKASTGKP
GIAYLRNSYHGKTLGALSITGRDKHRRYFTPLLDAMVEVPFGDLAALREA
LNREDVGALMIEPIQGEGGVHIPPAGYLQAVQQLCRETGVLLMVDEVQTG
LGRTGKLFACEWDGIEPDVLMLSKSLSGGLIPIGATLCRADLWQKAYGTA
DRFLVHSSTYGGGNLASVVALSALREILAQDLVGHAERMGAYFKQALSEI
AARYPFVSEVRGRGLMLGIQFDWHTTWKFLPDPVQAHLRAAMDRMEQALG
EMFCMKFVTKLCQDHKILTFITANSSTVIRIQPPLIISKAEIDRFVGAFA
TVCEELSTFLDL

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: 4ppm Chain B Residue 901

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4ppm Crystal structure of the catalytic domain of PigE: a transaminase involved in the biosynthesis of 2-methyl-3-n-amyl-pyrrole (MAP) from Serratia sp. FS14
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): A722 Y725 V728
• Binding residue (residue number reindexed from 1): A351 Y354 V357
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): M406 Y530 E583 D616 Q619 K645 T680 R822
• Catalytic site (residue number reindexed from 1): M35 Y159 E212 D245 Q248 K274 T309 R430
• Enzyme Commision number: 2.6.1.-

Gene Ontology

Molecular Function

• GO:0008483 transaminase activity
• GO:0030170 pyridoxal phosphate binding
• GO:0042802 identical protein binding
• GO:0070280 pyridoxal binding

Biological Process

• GO:0017000 antibiotic biosynthetic process

External links

• PDB: RCSB:4ppm, PDBe:4ppm, PDBj:4ppm
• PDBsum: 4ppm
• PubMed: 24704447
• UniProt: A0A0J9X1Q5|PIGE_SERSF Aminotransferase PigE (Gene Name=pigE)