Structure of PDB 117e Chain B Binding Site BS03
Receptor Information
>117e Chain B (length=282) Species:
4932
(Saccharomyces cerevisiae) [
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TYTTRQIGAKNTLEYKVYIEKDGKPVSAFHDIPLYADKENNIFNMVVEIP
RWTNAKLEITKEETLNPIIQDTKKGKLRFVRNCFPHHGYIHNYGAFPQTW
EDPNVSHPETKAVGDNEPIDVLEIGETIAYTGQVKQVKALGIMALLDEGE
TDWKVIAIDINDPLAPKLNDIEDVEKYFPGLLRATNEWFRIYKIPDGKPE
NQFAFSGEAKNKKYALDIIKETHDSWKQLIAGKSSDSKGIDLTNVTLPDT
PTYSKAASDAIPPASLKADAPIDKSIDKWFFI
Ligand information
Ligand ID
MN
InChI
InChI=1S/Mn/q+2
InChIKey
WAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
Software
SMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Mn+2]
CACTVS 3.341
[Mn++]
Formula
Mn
Name
MANGANESE (II) ION
ChEMBL
DrugBank
DB06757
ZINC
PDB chain
117e Chain B Residue 2007 [
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Receptor-Ligand Complex Structure
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PDB
117e
The R78K and D117E active-site variants of Saccharomyces cerevisiae soluble inorganic pyrophosphatase: structural studies and mechanistic implications.
Resolution
2.15 Å
Binding residue
(original residue number in PDB)
E1058 E1117
Binding residue
(residue number reindexed from 1)
E58 E117
Annotation score
1
Enzymatic activity
Enzyme Commision number
3.6.1.1
: inorganic diphosphatase.
Gene Ontology
Molecular Function
GO:0000287
magnesium ion binding
GO:0004427
inorganic diphosphate phosphatase activity
GO:0005515
protein binding
GO:0016787
hydrolase activity
GO:0046872
metal ion binding
Biological Process
GO:0006796
phosphate-containing compound metabolic process
Cellular Component
GO:0005634
nucleus
GO:0005737
cytoplasm
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:117e
,
PDBe:117e
,
PDBj:117e
PDBsum
117e
PubMed
9878371
UniProt
P00817
|IPYR_YEAST Inorganic pyrophosphatase (Gene Name=IPP1)
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