Structure of PDB 4rdy Chain A Binding Site BS03

Receptor Information
>4rdy Chain A (length=313) Species: 985053 (Vulcanisaeta moutnovskia 768-28) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VRISIAGGNEIDPGSMGLTLFHEHLRLITEVVRWNWPHLYNEDEELKRAI
DAVNAAKKYGVKTIIDLTVAGIGCDVRFNEKVAKATGVNIIMGTGFYTYT
EIPFYFKNRGIDSLVDAFVHDITIGIQGTNTRAAFVKAVIDSSGLTKDVE
MAIRAAAKAHIKTDVPIITHSFVGNKSSLDLIRIFKEEGVDLARTVIGHV
GDTDDISFIEQILREGAFIGLDRFGLDIYLPLDKRVKTAIELIKRGWIDQ
LLLSHDYCPTIDWYPPEVVRSTVPDWTMTLIFEKVIPRMRSEGITEEQIN
RVLIDNPRRLFTG
Ligand information
Ligand ID3M5
InChIInChI=1S/C14H23NO4/c1-2-3-4-5-6-7-11(16)10-13(17)15-12-8-9-19-14(12)18/h12H,2-10H2,1H3,(H,15,17)/t12-/m0/s1
InChIKeyKYGIKEQVUKTKRR-LBPRGKRZSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCCCCCC(=O)CC(=O)N[CH]1CCOC1=O
OpenEye OEToolkits 1.7.6CCCCCCCC(=O)CC(=O)NC1CCOC1=O
CACTVS 3.385
OpenEye OEToolkits 1.7.6		CCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O
ACDLabs 12.01O=C1OCCC1NC(=O)CC(=O)CCCCCCC
FormulaC14 H23 N O4
Name3-oxo-N-[(3S)-2-oxotetrahydrofuran-3-yl]decanamide;
N-(3-Oxodecanoyl)-L-homoserine lactone
ChEMBLCHEMBL8450
DrugBank
ZINCZINC000042764477
PDB chain4rdy Chain A Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4rdy Crystal structure of VmoLac, a tentative quorum quenching lactonase from the extremophilic crenarchaeon Vulcanisaeta moutnovskia.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		H25 L28 Y98 K138 H171 R224 L227 D257 C259 W264 Y265
Binding residue
(residue number reindexed from 1)		H24 L27 Y97 K137 H170 R223 L226 D256 C258 W263 Y264
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H23 H25 K138 H171 H200 D203 R224 D257
Catalytic site (residue number reindexed from 1) H22 H24 K137 H170 H199 D202 R223 D256
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008270 zinc ion binding
GO:0016787 hydrolase activity
GO:0016788 hydrolase activity, acting on ester bonds
GO:0046872 metal ion binding
Biological Process
GO:0009056 catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:4rdy, PDBe:4rdy, PDBj:4rdy
PDBsum4rdy
PubMed25670483
UniProtF0QXN6

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