Structure of PDB 3q4o Chain A Binding Site BS01

Receptor Information
>3q4o Chain A (length=169) Species: 243232 (Methanocaldococcus jannaschii DSM 2661) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PISEEEKEGLIEMREEEKLARDVYLTLYNKWKLQIFKNIAESEQTHMDAV
KYLLEKYNIPDPVKNDSIGVFSNPKFEELYKKLVEKGDKSEVDALKVGAT
IEDLDIADLEKWINKTDNEDIKFVYENLMKGSRNHMRAFVRMLNNYGSNY
TPQYISKEEYEEIISSSTE
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 chain3q4o Chain A Residue 199 [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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PDB3q4o Structural insights into the metal binding properties of hypothetical protein MJ0754 from Methanococcus jannaschii.
Resolution1.34 Å
Binding residue
(original residue number in PDB)		E28 E54 H57
Binding residue
(residue number reindexed from 1)		E17 E43 H46
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:3q4o, PDBe:3q4o, PDBj:3q4o
PDBsum3q4o
PubMed21604308
UniProtQ58164|Y754_METJA Uncharacterized protein MJ0754 (Gene Name=MJ0754)

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