Structure of PDB 3luz Chain B Binding Site BS03

Receptor Information
>3luz Chain B (length=234) Species: 38323 (Bartonella henselae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PQSAVMNVMVQAAMKAGRSLVRDYGDYVSQADRKAEKIIFNELSKARPKF
GFLMEEIIGEDSQHRFIVDPLDGTTNFLHGIPFFAVSIALESQGKIVAGV
IYNPINDELFTAERGSGAFFNDRRCRVSARRRLEDCVIATGMYLIELRNV
MAEVSGIRRFGTAALDLAYVAAGRTDGFWEDNLQIWDMAAGILMVREAGG
FVTDKEGGNDIFRKKNIIAGNEHIRIKLERALKK
Ligand information
Ligand IDIOD
InChIInChI=1S/HI/h1H/p-1
InChIKeyXMBWDFGMSWQBCA-UHFFFAOYSA-M
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0
[I-]
FormulaI
NameIODIDE ION
ChEMBL
DrugBankDB12754
ZINC
PDB chain3luz Chain B Residue 267 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3luz SAD phasing using iodide ions in a high-throughput structural genomics environment.
Resolution2.05 Å
Binding residue
(original residue number in PDB)
T128 E130
Binding residue
(residue number reindexed from 1)
T111 E113
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E69 D86 L88 D89 T91 D214
Catalytic site (residue number reindexed from 1) E55 D69 L71 D72 T74 D187
Enzyme Commision number 3.1.3.25: inositol-phosphate phosphatase.
Gene Ontology
Molecular Function
GO:0008934 inositol monophosphate 1-phosphatase activity
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
GO:0052832 inositol monophosphate 3-phosphatase activity
GO:0052833 inositol monophosphate 4-phosphatase activity
GO:0052834 inositol monophosphate phosphatase activity
Biological Process
GO:0006020 inositol metabolic process
GO:0007165 signal transduction
GO:0046854 phosphatidylinositol phosphate biosynthetic process

View graph for
Molecular Function

View graph for
Biological Process
External links
PDB RCSB:3luz, PDBe:3luz, PDBj:3luz
PDBsum3luz
PubMed21359836
UniProtA0A0H3M6W8

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