Structure of PDB 1dje Chain A Binding Site BS01

Receptor Information
>1dje Chain A (length=383) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SWQEKINAALDARGAADALRRRYPVAQGAGRWLVADDRQYLNFSSNDYLG
LSHHPQIIRAWQQGAEQFGIGSGGSGHVSGYSVVHQALEEELAEWLGYSR
ALLFISGFAANQAVIAAMMAKEDRIAADRLSHASLLEAASLSPSQLRRFA
HNDVTHLARLLASPCPGQQMVVTEGVFSMDGDSAPLAEIQQVTQQHNGWL
MVDDAHGTGVIGEQGRGSCWLQKVKPELLVVTFGKGFGVSGAAVLCSSTV
ADYLLQFARHLIYSTSMPPAQAQALRASLAVIRSDEGDARREKLAALITR
FRAGVQDLPFTLADSCSAIQPLIVGDNSRALQLAEKLRQQGCWVTGIRPP
TVPAGIARLRLTLTAAHEMQDIDRLLEVLHGNG
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 chain1dje Chain A Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1dje Mechanism of 8-amino-7-oxononanoate synthase: spectroscopic, kinetic, and crystallographic studies.
Resolution1.71 Å
Binding residue
(original residue number in PDB)		G108 F109 H133 E175 S179 D204 A206 H207 T233 K236
Binding residue
(residue number reindexed from 1)		G107 F108 H132 E174 S178 D203 A205 H206 T232 K235
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) N47 H133 E175 S179 D204 H207 K236
Catalytic site (residue number reindexed from 1) N46 H132 E174 S178 D203 H206 K235
Enzyme Commision number 2.3.1.47: 8-amino-7-oxononanoate synthase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008710 8-amino-7-oxononanoate synthase activity
GO:0016740 transferase activity
GO:0030170 pyridoxal phosphate binding
GO:0042803 protein homodimerization activity
Biological Process
GO:0009058 biosynthetic process
GO:0009102 biotin biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1dje, PDBe:1dje, PDBj:1dje
PDBsum1dje
PubMed10642176
UniProtP12998|BIOF_ECOLI 8-amino-7-oxononanoate synthase (Gene Name=bioF)

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