Structure of PDB 2dcf Chain A Binding Site BS01

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 501 [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 Y215 I345
Binding residue
(residue number reindexed from 1)		A104 Y162 Y207 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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