Structure of PDB 6jd9 Chain A Binding Site BS01

Receptor Information
>6jd9 Chain A (length=286) Species: 584 (Proteus mirabilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STKYPIVLVHGLAGFNEIVGFPYFYGIADALRQDGHQVFTASLSAFNSNE
VRGKQLWQFVQTLLQETQAKKVNFIGHSQGPLACRYVAANYPDSVASVTS
INGVNHGSEIADLYRRVMRKDSIPEYIVGKVLNAFGTIISTFSGHRGDPQ
DAIAALESLTTEQVTEFNNKYPQALPKTPGGEGDEIVNGVHYYCFGSYIQ
GLIAGEKGNLLDPTHAAMRVLNTFFTEKQNDGLVGRSSMRLGKLIKDDYA
QDHIDMVNQVAGLVGYNEDIVAIYTQHAKYLASKQL
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain6jd9 Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6jd9 Directed evolution of a genetically encoded immobilized lipase for the efficient production of biodiesel from waste cooking oil.
Resolution1.58 Å
Binding residue
(original residue number in PDB)		N210 D213 D256 Q260 L264
Binding residue
(residue number reindexed from 1)		N209 D212 D255 Q259 L263
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.1.3: triacylglycerol lipase.
Gene Ontology
Molecular Function
GO:0004806 triacylglycerol lipase activity
GO:0016787 hydrolase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:6jd9, PDBe:6jd9, PDBj:6jd9
PDBsum6jd9
PubMed31297153
UniProtA0A1Z1SX23

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