Structure of PDB 3luz Chain B Binding Site BS04

Receptor Information

>3luz Chain B (length=234) Species: 38323 (Bartonella henselae)

PQSAVMNVMVQAAMKAGRSLVRDYGDYVSQADRKAEKIIFNELSKARPKF
GFLMEEIIGEDSQHRFIVDPLDGTTNFLHGIPFFAVSIALESQGKIVAGV
IYNPINDELFTAERGSGAFFNDRRCRVSARRRLEDCVIATGMYLIELRNV
MAEVSGIRRFGTAALDLAYVAAGRTDGFWEDNLQIWDMAAGILMVREAGG
FVTDKEGGNDIFRKKNIIAGNEHIRIKLERALKK

Ligand information

• Ligand ID: IOD
• InChI: InChI=1S/HI/h1H/p-1
• InChIKey: XMBWDFGMSWQBCA-UHFFFAOYSA-M
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: [I-]
• Formula: I
• Name: IODIDE ION
• DrugBank: DB12754
• PDB chain: 3luz Chain B Residue 269

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3luz SAD phasing using iodide ions in a high-throughput structural genomics environment.
• Resolution: 2.05 Å
• Binding residue (original residue number in PDB): R223 F228 V229
• Binding residue (residue number reindexed from 1): R196 F201 V202
• Annotation score: 1

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

External links

• PDB: RCSB:3luz, PDBe:3luz, PDBj:3luz
• PDBsum: 3luz
• PubMed: 21359836
• UniProt: A0A0H3M6W8