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BioLiP

Structure of PDB 1f48 Chain A Binding Site BS04

Receptor Information
>1f48 Chain A (length=548) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MQFLQNIPPYLFFTGKGGVGKTSISCATAIRLAEQGKRVLLVSTDPASNV
GQVFSQTIGNTIQAIASVPGLSALEIDPQAAAQQYRARIVDPIKGVLPDD
VVSSINEQLSGACTTEIAAFDEFTGLLTDASLLTRFDHIIFDTAPTGHTI
RLLQLPGAWSSFIDSNPEGASCLGPMAGLEKQREQYAYAVEALSDPKRTR
LVLVARLQKSTLQEVARTHLELAAIGLKNQYLVINGVLPKTEAANDTLAA
AIWEREQEALANLPADLAGLPTDTLFLQPVNMVGVSALSRLLSTQPRPDI
PSLSALVDDIARNEHGLIMLMGKGGVGKTTMAAAIAVRLADMGFDVHLTT
SDPAAHLNNLQVSRIDPHEETERYRQHVLETKGKELDEAGKRLLEEDLRS
PCTEEIAVFQAFSRVIREAGKRFVVMDTAPTGHTLLLLDATTPMMLLQDP
ERTKVLLVTLPETTPVLEAANLQADLERAGIHPWGWIINNSLSIADTRSP
LLRMRAQQELPQIESVKRQHASRVALVPVLASEPTGIDKLKQLAGHHH
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 chain1f48 Chain A Residue 592 [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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PDB1f48 Structure of the ArsA ATPase: the catalytic subunit of a heavy metal resistance pump.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		T22 D45
Binding residue
(residue number reindexed from 1)		T22 D45
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K16 G18 G20 K21 T22 S23 D45 A47 T502
Catalytic site (residue number reindexed from 1) K16 G18 G20 K21 T22 S23 D45 A47 T464
Enzyme Commision number 7.3.2.7: arsenite-transporting ATPase.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0015446 ATPase-coupled arsenite transmembrane transporter activity
GO:0016887 ATP hydrolysis activity
Biological Process
GO:0046685 response to arsenic-containing substance
GO:0071722 detoxification of arsenic-containing substance

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Molecular Function
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Biological Process
External links
PDB RCSB:1f48, PDBe:1f48, PDBj:1f48
PDBsum1f48
PubMed10970874
UniProtP08690|ARSA1_ECOLX Arsenical pump-driving ATPase (Gene Name=arsA)

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