Structure of PDB 1ii0 Chain B Binding Site BS04

Receptor Information
>1ii0 Chain B (length=553) 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
AIWEREQEALANLPADLAGLPTDTLFLQPVNMVGVSALSRLLSTQPQQRP
DIPSLSALVDDIARNEHGLIMLMGKGGVGKTTMAAAIAVRLADMGFDVHL
TTSDPAALNNLQVSRIDPHEETERYRQHVLETKGKELDEAGKRLLEEDLR
SPCTEEIAVFQAFSRVIREAGKRFVVMDTAPTGHTLLLLDATTTPMMLLQ
DPERTKVLLVTLPETTPVLEAANLQADLERAGIHPWGWIINNSLSIADTR
SPLLRMRAQQELPQIESVKRQHASRVALVPVLASEPTGIDKLKQLAGHHH
HHH
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 chain1ii0 Chain B Residue 1701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB1ii0 Conformational changes in four regions of the Escherichia coli ArsA ATPase link ATP hydrolysis to ion translocation.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		R1206 E1500
Binding residue
(residue number reindexed from 1)		R206 E464
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 T466
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1ii0, PDBe:1ii0, PDBj:1ii0
PDBsum1ii0
PubMed11395509
UniProtP08690|ARSA1_ECOLX Arsenical pump-driving ATPase (Gene Name=arsA)

[Back to BioLiP]