Structure of PDB 1fez Chain A Binding Site BS01
Receptor Information
>1fez Chain A (length=256) Species:
1396
(Bacillus cereus) [
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KIEAVIFDWAGTTVDYGCFAPLEVFMEIFHKRGVAITAEEARKPMGLLKI
DHVRALTEMPRIASEWNRVFRQLPTEADIQEMYEEFEEILFAILPRYASP
INAVKEVIASLRERGIKIGSTTGYTREMMDIVAKEAALQGYKPDFLVTPD
DVPAGRPYPWMCYKNAMELGVYPMNHMIKVGDTVSDMKEGRNAGMWTVGV
ILGSSELGLTEEEVENMDSVELREKIEVVRNRFVENGAHFTIETMQELES
VMEHIE
Ligand information
Ligand ID
MG
InChI
InChI=1S/Mg/q+2
InChIKey
JLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
Software
SMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Mg+2]
CACTVS 3.341
[Mg++]
Formula
Mg
Name
MAGNESIUM ION
ChEMBL
DrugBank
DB01378
ZINC
PDB chain
1fez Chain A Residue 801 [
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Receptor-Ligand Complex Structure
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PDB
1fez
The crystal structure of bacillus cereus phosphonoacetaldehyde hydrolase: insight into catalysis of phosphorus bond cleavage and catalytic diversification within the HAD enzyme superfamily.
Resolution
3.0 Å
Binding residue
(original residue number in PDB)
A14 D186
Binding residue
(residue number reindexed from 1)
A10 D182
Annotation score
1
Enzymatic activity
Catalytic site (original residue number in PDB)
D12 A14 A45 M49 K53 H56 R160 D186
Catalytic site (residue number reindexed from 1)
D8 A10 A41 M45 K49 H52 R156 D182
Enzyme Commision number
3.11.1.1
: phosphonoacetaldehyde hydrolase.
Gene Ontology
Molecular Function
GO:0000287
magnesium ion binding
GO:0003824
catalytic activity
GO:0016787
hydrolase activity
GO:0046872
metal ion binding
GO:0050194
phosphonoacetaldehyde hydrolase activity
Biological Process
GO:0019700
organic phosphonate catabolic process
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Molecular Function
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Biological Process
External links
PDB
RCSB:1fez
,
PDBe:1fez
,
PDBj:1fez
PDBsum
1fez
PubMed
10956028
UniProt
O31156
|PHNX_BACCE Phosphonoacetaldehyde hydrolase (Gene Name=phnX)
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