Structure of PDB 5jc8 Chain D Binding Site BS01

Receptor Information
>5jc8 Chain D (length=262) Species: 266265 (Paraburkholderia xenovorans LB400) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AGRLQGKVALVTGAGCIGPGWGNGRAIAVRFAEEGAHVIAVDRDLASMDA
TLELVRAAGGSVTPCLCDVTDSASVERLVADSVARCGRVDILVNNVGAPS
PGGPVALDEAQWAMQLELNLTTAFLMCKYVLPVMEQQGGGAIVNIASTSG
IRWTGAAQVGYAAAKAGMIQMGRVVAVEYAAKNVRVNSVVPGLLHTPMVD
TKIAHNGDVELLLRKRQARIPMPFMGDGRDTANAALFLASDEARFVTGTE
IVVDGGMSARCD
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 chain5jc8 Chain D Residue 405 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5jc8 Crystal structure of a putative short-chain dehydrogenase/reductase from Burkholderia xenovorans
Resolution1.45 Å
Binding residue
(original residue number in PDB)		P200 M201
Binding residue
(residue number reindexed from 1)		P197 M198
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) G25 S150 Y164 K168
Catalytic site (residue number reindexed from 1) G22 S147 Y161 K165
Enzyme Commision number ?
External links