Structure of PDB 5a61 Chain A Binding Site BS03

Receptor Information
>5a61 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 IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain5a61 Chain A Residue 502 [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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PDB5a61 Structural Determinants for Substrate Binding and Catalysis in Triphosphate Tunnel Metalloenzymes.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		E4 E6 E162
Binding residue
(residue number reindexed from 1)		E5 E7 E163
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:5a61, PDBe:5a61, PDBj:5a61
PDBsum5a61
PubMed26221030
UniProtP30871|3PASE_ECOLI Inorganic triphosphatase (Gene Name=ygiF)

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