Structure of PDB 2dcf Chain A Binding Site BS02

Receptor Information
>2dcf Chain A (length=384) Species: 239 (Flavobacterium sp.) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STGQHPARYPGAAAGEPTLDSWQEPPHNRWAFAHLGEMVPSAAVSRRPGH
ALARLGAIAAQLPDLEQRLEQTYTDAFLVLRGTEVVAEYYRAGFAPDDRH
LLMAVSKSLCGTVVGALVDEGRIDPAQPVTEYVPELAGSVYDGPSVLQVL
DMQISIDYNEDYVDPASEVQTHDRSAGWRTRRHGDPADTYEFLTTLRGDG
STGEFQYCSANTDVLAWIVERVTGLRYVEALSTYLWAKLDADRDATITVD
TTGFGFANGGVSCTARDLARVGRMMLDGGVAPGGRVVSEDWVRRVLAGGS
HEAMTDKGFTNTFPDGSYTRQWWCTGNERGNVSGIGIHGQNLWLDPLTDS
VIVKLSSWPDPDTEHWHRLQNGILLDVSRALDAV
Ligand information
Ligand IDACA
InChIInChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)
InChIKeySLXKOJJOQWFEFD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)CCCCCN
OpenEye OEToolkits 1.5.0C(CCC(=O)O)CCN
CACTVS 3.341NCCCCCC(O)=O
FormulaC6 H13 N O2
Name6-AMINOHEXANOIC ACID;
AMINOCAPROIC ACID
ChEMBLCHEMBL1046
DrugBankDB00513
ZINCZINC000001529425
PDB chain2dcf Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2dcf Nylon-oligomer degrading enzyme/substrate complex: catalytic mechanism of 6-aminohexanoate-dimer hydrolase
Resolution1.4 Å
Binding residue
(original residue number in PDB)		A112 Y170 D181 F264 N266 G344 I345
Binding residue
(residue number reindexed from 1)		A104 Y162 D173 F256 N258 G336 I337
Annotation score5
Enzymatic activity
Enzyme Commision number 3.5.1.46: 6-aminohexanoate-oligomer exohydrolase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0019875 6-aminohexanoate-dimer hydrolase activity
Biological Process
GO:0019876 nylon catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:2dcf, PDBe:2dcf, PDBj:2dcf
PDBsum2dcf
PubMed17512009
UniProtP07062|NYLB2_PAEUR 6-aminohexanoate-dimer hydrolase (Gene Name=nylB')

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