Structure of PDB 2e6b Chain A Binding Site BS01

Receptor Information
>2e6b Chain A (length=237) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRILVTNDDGIYSPGLWALAEAASQFGEVFVAAPDTGHAITIAHPVRAYP
HPSPLHAPHFPAYRVRGTPADCVALGLHLFGPVDLVLSGVNLGSNLGHEI
WHSGTVAAAKQGYLFGLSAAAFSVPLNGEVPDFAGLRPWLLRTLETLLRL
ERPFLVNVNLPLRPKGFLWTRQSVRAYEGVVIPGEDPMGRPFYWFAPRPL
KEAEEGTDRWAVAQGFVSATPLRLDLTDETRLQPTLA
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 chain2e6b 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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PDB2e6b Crystal Structure of the Stationary Phase Survival Protein SurE with Metal Ion and AMP
Resolution2.5 Å
Binding residue
(original residue number in PDB)
D8 D9 N96
Binding residue
(residue number reindexed from 1)
D8 D9 N91
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.5: 5'-nucleotidase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004309 exopolyphosphatase activity
GO:0008252 nucleotidase activity
GO:0008253 5'-nucleotidase activity
GO:0008254 3'-nucleotidase activity
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
GO:0106411 XMP 5'-nucleosidase activity
Cellular Component
GO:0005737 cytoplasm

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Molecular Function

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Cellular Component
External links
PDB RCSB:2e6b, PDBe:2e6b, PDBj:2e6b
PDBsum2e6b
PubMed17561111
UniProtQ53W92|SURE_THET8 5'-nucleotidase SurE (Gene Name=surE)

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