Structure of PDB 3du4 Chain A Binding Site BS04

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 IDKAP
InChIInChI=1S/C9H17NO3/c1-7(10)8(11)5-3-2-4-6-9(12)13/h7H,2-6,10H2,1H3,(H,12,13)/t7-/m0/s1
InChIKeyGUAHPAJOXVYFON-ZETCQYMHSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(CCCCCC(=O)O)C(N)C
OpenEye OEToolkits 1.5.0C[C@@H](C(=O)CCCCCC(=O)O)N
OpenEye OEToolkits 1.5.0CC(C(=O)CCCCCC(=O)O)N
CACTVS 3.341C[CH](N)C(=O)CCCCCC(O)=O
CACTVS 3.341C[C@H](N)C(=O)CCCCCC(O)=O
FormulaC9 H17 N O3
Name7-KETO-8-AMINOPELARGONIC ACID
ChEMBL
DrugBankDB02274
ZINCZINC000001532843
PDB chain3du4 Chain B Residue 451 [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)		L82 G315 S317
Binding residue
(residue number reindexed from 1)		L82 G315 S317
Annotation score5
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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