Structure of PDB 1jl3 Chain D Binding Site BS01

Receptor Information
>1jl3 Chain D (length=124) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KIIYFLCTGNSCRSQMAEGWAKQYLGDEWKVYSAGIEAHGLNPNAVKAMK
EVGIDISNQTSDIIDSDILNNADLVVTLCGVKREHWGFDDPARAQGTEEE
KWAFFQRVRDEIGNRLKEFAETGK
Ligand information
Ligand IDSO4
InChIInChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
InChIKeyQAOWNCQODCNURD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[O-]S(=O)(=O)[O-]
CACTVS 3.341[O-][S]([O-])(=O)=O
ACDLabs 10.04[O-]S([O-])(=O)=O
FormulaO4 S
NameSULFATE ION
ChEMBL
DrugBankDB14546
ZINC
PDB chain1jl3 Chain D Residue 1004 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1jl3 Bacillus subtilis arsenate reductase is structurally and functionally similar to low molecular weight protein tyrosine phosphatases.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		C10 G12 S14 C15 R16 S17
Binding residue
(residue number reindexed from 1)		C7 G9 S11 C12 R13 S14
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C10 T11 G12 N13 S14 C15 R16 S17 S36 T63 D65 C82 D105
Catalytic site (residue number reindexed from 1) C7 T8 G9 N10 S11 C12 R13 S14 S33 T60 D62 C79 D90
Enzyme Commision number 1.20.4.4: arsenate reductase (thioredoxin).
Gene Ontology
Molecular Function
GO:0004725 protein tyrosine phosphatase activity
GO:0016491 oxidoreductase activity
GO:0030612 arsenate reductase (thioredoxin) activity
Biological Process
GO:0046685 response to arsenic-containing substance
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1jl3, PDBe:1jl3, PDBj:1jl3
PDBsum1jl3
PubMed11698660
UniProtP45947|ARSC_BACSU Arsenate reductase (Gene Name=arsC)

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