Structure of PDB 5a60 Chain A Binding Site BS01

Receptor Information
>5a60 Chain A (length=429) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AMAQEIELKFIVNHSAVEALRDHLNTLGGEHHDPVQLLNIYYETPDNWLR
GHDMGLRIRGENGRYEMTMKVAGRVTGGLHQRPEYNVALSEPTLDLAQLP
TEVWPNGELPADLASRVQPLFSTDFYREKWLVAVDDSRIEIALDQGEVKA
GEFAEPICELELELLSGDTRAVLKLANQLVSQTGLRQGSLSKAARGYHLA
QGNPAREIKPTTILHVAAKADVEQGLEAAFELALAQWQYHEELWVRGNDA
AKEQVLAAIGLVRHALMLFGGIVPRKASTHLRDLLTQCEATIASAVSAVT
AVYSTETAMAKLALTEWLVSKAWQPFLDAKAQGKISDSFKRFADIHLSRH
AAELKSVFCQPLGDRYHDQLPRLTRDIDSILLLAGYYDPVVAQAWLENWQ
GLRHAIATGQRIEIEHFRNEANNQEPFWL
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 chain5a60 Chain A Residue 500 [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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PDB5a60 Structural Determinants for Substrate Binding and Catalysis in Triphosphate Tunnel Metalloenzymes.
Resolution1.82 Å
Binding residue
(original residue number in PDB)		E6 E160
Binding residue
(residue number reindexed from 1)		E7 E161
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.1.25: triphosphatase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
GO:0050355 inorganic triphosphate phosphatase activity

View graph for
Molecular Function
External links
PDB RCSB:5a60, PDBe:5a60, PDBj:5a60
PDBsum5a60
PubMed26221030
UniProtP30871|3PASE_ECOLI Inorganic triphosphatase (Gene Name=ygiF)

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