Structure of PDB 3ks6 Chain A Binding Site BS01

Receptor Information
>3ks6 Chain A (length=250) Species: 176299 (Agrobacterium fabrum str. C58) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GMTRIASHRGGTLEFGDSTPHGFTATAAMALEEVEFDLHPTADGAIVVHH
DPTLDATTDMTGAIVDMTLAKVKTATIRYGAGSHPMTLEELCALYVDSHV
NFRCEIKPGVDGLPYEGFVALVIAGLERHSMLERTTFSSFLLASMDELWK
ATTRPRLWLVSPSVLQQLGPGAVIETAIAHSIHEIGVHIDTADAGLMAQV
QAAGLDFGCWAAHTPSQITKALDLGVKVFTTDRPTLAIALRTEHRMEASV
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain3ks6 Chain A Residue 251 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ks6 Crystal structure of Putative glycerophosphoryl diester phosphodiesterase (17743486) from AGROBACTERIUM TUMEFACIENS str. C58 (Dupont) at 1.80 A resolution
Resolution1.8 Å
Binding residue
(original residue number in PDB)		E34 D36 E104
Binding residue
(residue number reindexed from 1)		E35 D37 E105
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) H7 R8 E34 D36 H49 E104 K106 D231
Catalytic site (residue number reindexed from 1) H8 R9 E35 D37 H50 E105 K107 D232
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008081 phosphoric diester hydrolase activity
GO:0046872 metal ion binding
Biological Process
GO:0006629 lipid metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:3ks6, PDBe:3ks6, PDBj:3ks6
PDBsum3ks6
PubMed
UniProtA9CLR1

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