Structure of PDB 3icf Chain B Binding Site BS01

Receptor Information
>3icf Chain B (length=315) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSQEFISKMVNDLFLKGKYLPKKYVAAIISHADTLFRQEPSMVELENNST
PDVKISVCGDTHGQFYDVLNLFRKFGKVGPKHTYLFNGDFVDRGSWSCEV
ALLFYCLKILHPNNFFLNRGNHESDNMNKIYGFEDECKYKYSQRIFNMFA
QSFESLPLATLINNDYLVMHGGLPSDPSATLSDFKNIDRFAQPPRDGAFM
ELLWADPQEANGMGPSQRGHAFGPDITDRFLRNNKLRKIFRSHELRMGGV
QFEQKGKLMTVFSAPNYCDSQGNLGGVIHVVPGHGILQAGRNDDQNLIIE
TFEAVEHPDIKPMAY
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0
[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain3icf Chain B Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3icf Structure of Protein serine/threonine phosphatase from Saccharomyces cerevisiae with similarity to human phosphatase PP5
Resolution2.3 Å
Binding residue
(original residue number in PDB)
D278 N310 H359 H434
Binding residue
(residue number reindexed from 1)
D89 N121 H170 H243
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D249 H251 D278 D281 R282 N310 H311 H359 R407 H434
Catalytic site (residue number reindexed from 1) D60 H62 D89 D92 R93 N121 H122 H170 R218 H243
Enzyme Commision number 3.1.3.16: protein-serine/threonine phosphatase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity

View graph for
Molecular Function
External links
PDB RCSB:3icf, PDBe:3icf, PDBj:3icf
PDBsum3icf
PubMed
UniProtP53043|PPT1_YEAST Serine/threonine-protein phosphatase T (Gene Name=PPT1)

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