Structure of PDB 1ihu Chain A Binding Site BS01

Receptor Information
>1ihu Chain A (length=540) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MQFLQNIPPYLFFTGKGGVGKTSISCATAIRLAEQGKRVLLVSTDPASNV
GQVFSQTIGNTIQAIASVPGLSALEIDPQAAAQQYRARIVDPIKGVLPDD
VVSSINEQLSGACTTEIAAFDEFTGLLTDASLLTRFDHIIFDTAPTGHTI
RLLQLPGAWSSFIASCLGPMAGLEKQREQYAYAVEALSDPKRTRLVLVAR
LQKSTLQEVARTHLELAAIGLKNQYLVINGVLPKTEAANDTLAAAIWERE
QEALANLPADLAGLPTDTLFLQPVNMVGVSALSRLLSTQPQRPDIPSLSA
LVDDIARNEHGLIMLMGKGGVGKTTMAAAIAVRLADMGFDVHLTTSDPAN
NLQVSRIDPHEETERYRQHVLETKGKELDEAGKRLLEEDLRSPCTEEIAV
FQAFSRVIREAGKRFVVMDTAPTGHTLLLLDATTPMMLLQDPERTKVLLV
TLPETTPVLEAANLQADLERAGIHPWGWIINNSLSIADTRSPLLRMRAQQ
ELPQIESVKRQHASRVALVPVLASEPTGIDKLKQLAGHHH
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 chain1ihu Chain A Residue 592 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ihu Conformational changes in four regions of the Escherichia coli ArsA ATPase link ATP hydrolysis to ion translocation.
Resolution2.15 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 T456
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:1ihu, PDBe:1ihu, PDBj:1ihu
PDBsum1ihu
PubMed11395509
UniProtP08690|ARSA1_ECOLX Arsenical pump-driving ATPase (Gene Name=arsA)

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