Structure of PDB 1ii9 Chain B Binding Site BS04

Receptor Information
>1ii9 Chain B (length=550) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MQFLQNIPPYLFFTGKGGVGKTSISCATAIRLAEQGKRVLLVSTDPASNV
GQVFSQTIGNTIQAIASVPGLSALEIDPQAAAQQYRARIVDPIKGVLPDD
VVSSINEQLSGACTTEIAAFDEFTGLLTDASLLTRFDHIIFDTAPTGHTI
RLLQLPGAWSSFIDSEGASCLGPMAGLEKQREQYAYAVEALSDPKRTRLV
LVARLQKSTLQEVARTHLELAAIGLKNQYLVINGVLPKTEAANDTLAAAI
WEREQEALANLPADLAGLPTDTLFLQPVNMVGVSALSRLLSTQQQRPDIP
SLSALVDDIARNEHGLIMLMGKGGVGKTTMAAAIAVRLADMGFDVHLTTS
DPAALNNLQVSRIDPHEETERYRQHVLETKGKELDEAGKRLLEEDLRSPC
TEEIAVFQAFSRVIREAGKRFVVMDTAPTGHTLLLLDATTTPMMLLQDPE
RTKVLLVTLPETTPVLEAANLQADLERAGIHPWGWIINNSLSIADTRSPL
LRMRAQQELPQIESVKRQHASRVALVPVLASEPTGIDKLKQLAGHHHHHH
Ligand information
Ligand IDTAS
InChIInChI=1S/AsH3O3/c2-1(3)4/h2-4H
InChIKeyGCPXMJHSNVMWNM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		O[As](O)O
FormulaAs H3 O3
NameTRIHYDROXYARSENITE(III)
ChEMBLCHEMBL1236189
DrugBankDB04456
ZINC
PDB chain1ii9 Chain B Residue 1701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ii9 Conformational changes in four regions of the Escherichia coli ArsA ATPase link ATP hydrolysis to ion translocation.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		R1206 E1500
Binding residue
(residue number reindexed from 1)		R204 E461
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K1016 G1018 G1020 K1021 T1022 S1023 D1045 A1047 T1502
Catalytic site (residue number reindexed from 1) K16 G18 G20 K21 T22 S23 D45 A47 T463
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:1ii9, PDBe:1ii9, PDBj:1ii9
PDBsum1ii9
PubMed11395509
UniProtP08690|ARSA1_ECOLX Arsenical pump-driving ATPase (Gene Name=arsA)

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