Structure of PDB 4ppm Chain A Binding Site BS02

Receptor Information
>4ppm Chain A (length=464) Species: 1327989 (Serratia sp. FS14) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ALPASRLAFIDAVIAQTPAREDTLDRYHQYINPMMVDFLKLQRCDNVFRS
AAGTQLYDDAGEAFLDMVAGYGCLNLGHNPQPVVNALKNYLDAQGPNFIQ
YISIPEQTAKLAEVLCRLAPGNMGRVFFSNSGTEAVEAAMKIAKASTGKP
GIAYLRNSYHGKTLGALSITGRDKHRRYFTPLLDAMVEVPFGDLAALREA
LNREDVGALMIEPIQGEGGVHIPPAGYLQAVQQLCRETGVLLMVDEVQTG
LGRTGKLFACEWDGIEPDVLMLSKSLSGGLIPIGATLCRADLWQKAYGTA
DRFLVHSSTYGGGNLASVVALSALREILAQDLVGHAERMGAYFKQALSEI
AARYPFVSEVRGRGLMLGIQFDQAHTTWKFLPDPVQAHLRAAMDRMEQAL
GEMFCMKFVTKLCQDHKILTFITANSSTVIRIQPPLIISKAEIDRFVGAF
ATVCEELSTFLDLE
Ligand information
Ligand IDPLP
InChIInChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
InChIKeyNGVDGCNFYWLIFO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1C=O)C
FormulaC8 H10 N O6 P
NamePYRIDOXAL-5'-PHOSPHATE;
VITAMIN B6 Phosphate
ChEMBLCHEMBL82202
DrugBankDB00114
ZINCZINC000001532514
PDB chain4ppm Chain A Residue 902 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4ppm 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
Resolution2.3 Å
Binding residue
(original residue number in PDB)		G503 T504 Y530 H531 D616 V618 K645
Binding residue
(residue number reindexed from 1)		G132 T133 Y159 H160 D245 V247 K274
Annotation score4
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 R431
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

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Molecular Function
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Biological Process
External links
PDB RCSB:4ppm, PDBe:4ppm, PDBj:4ppm
PDBsum4ppm
PubMed24704447
UniProtA0A0J9X1Q5|PIGE_SERSF Aminotransferase PigE (Gene Name=pigE)

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