Structure of PDB 1a44 Chain A Binding Site BS01

Receptor Information
>1a44 Chain A (length=185) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PVDLSKWSGPLSLQEVDERPQHPLQVKYGGAEVDELGKVLTPTQVKNRPT
SITWDGLDPGKLYTLVLTDPDAPSRKDPKYREWHHFLVVNMKGNNISSGT
VLSDYVGSGPPKGTGLHRYVWLVYEQEGPLKCDEPILSNRSGDHRGKFKV
ASFRKKYELGAPVAGTCYQAEWDDYVPKLYEQLSG
Ligand information
Ligand IDACT
InChIInChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
InChIKeyQTBSBXVTEAMEQO-UHFFFAOYSA-M
SMILES
SoftwareSMILES
ACDLabs 10.04[O-]C(=O)C
OpenEye OEToolkits 1.5.0CC(=O)[O-]
CACTVS 3.341CC([O-])=O
FormulaC2 H3 O2
NameACETATE ION
ChEMBL
DrugBankDB14511
ZINC
PDB chain1a44 Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1a44 Crystal structure of the phosphatidylethanolamine-binding protein from bovine brain: a novel structural class of phospholipid-binding proteins.
Resolution1.84 Å
Binding residue
(original residue number in PDB)
H85 G109
Binding residue
(residue number reindexed from 1)
H85 G109
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004867 serine-type endopeptidase inhibitor activity
GO:0005524 ATP binding
GO:0008289 lipid binding
Biological Process
GO:0010466 negative regulation of peptidase activity
GO:0043409 negative regulation of MAPK cascade
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:1a44, PDBe:1a44, PDBj:1a44
PDBsum1a44
PubMed9782057
UniProtP13696|PEBP1_BOVIN Phosphatidylethanolamine-binding protein 1 (Gene Name=PEBP1)

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