Structure of PDB 3du4 Chain A Binding Site BS01

Receptor Information
>3du4 Chain A (length=448) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTHDLIEKSKKHLWLPFTQMKDYDENPLIIESGTGIKVKDINGKEYYDGF
SSVWLNVHGHRKKELDDAIKKQLGKIAHSTLLGMTNVPATQLAETLIDIS
PKKLTRVFYSDSGAEAMEIALKMAFQYWKNIGKPEKQKFIAMKNGYHGDT
IGAVSVGSIELFHHVYGPLMFESYKAPIPYVYRSESGDPDECRDQCLREL
AQLLEEHHEEIAALSIESMVQGASGMIVMPEGYLAGVRELCTTYDVLMIV
DEVATGFGRTGKMFACEHENVQPDLMAAGKGITGGYLPIAVTFATEDIYK
AFYDDYENLKTFFHGHSYTGNQLGCAVALENLALFESENIVEQVAEKSKK
LHFLLQDLHALPHVGDIRQLGFMCGAELVRSKETKEPYPADRRIGYKVSL
KMRELGMLTRPLGDVIAFLPPLASTAEELSEMVAIMKQAIHEVTSLED
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 chain3du4 Chain A Residue 450 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3du4 Structural characterization of the Mycobacterium tuberculosis biotin biosynthesis enzymes 7,8-diaminopelargonic acid synthase and dethiobiotin synthetase .
Resolution2.2 Å
Binding residue
(original residue number in PDB)		S112 G113 A114 Y146 H147 E217 D251 V253 A254 K280
Binding residue
(residue number reindexed from 1)		S112 G113 A114 Y146 H147 E217 D251 V253 A254 K280
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) F17 Y146 E217 D251 A254 K280 A417
Catalytic site (residue number reindexed from 1) F17 Y146 E217 D251 A254 K280 A417
Enzyme Commision number 2.6.1.105: lysine--8-amino-7-oxononanoate transaminase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004015 adenosylmethionine-8-amino-7-oxononanoate transaminase activity
GO:0008483 transaminase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0009102 biotin biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3du4, PDBe:3du4, PDBj:3du4
PDBsum3du4
PubMed20565114
UniProtP53555|BIOK_BACSU L-Lysine--8-amino-7-oxononanoate transaminase (Gene Name=bioK)

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