Structure of PDB 1b7a Chain A Binding Site BS01

Receptor Information
>1b7a Chain A (length=186) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PVDLSKWSGPLSLQEVDERPQHPLQVKYGGAEVDELGKVLTPTQVKNRPT
SITWDGLDPGKLYTLVLTDPDAPSRKDPKYREWHHFLVVNMKGNNISSGT
VLSDYVGSGPPKGTGLHRYVWLVYEQEGPLKCDEPILSNRSGDHRGKFKV
ASFRKKYELGAPVAGTCYQAEWDDYVPKLYEQLSGK
Ligand information
Ligand IDOPE
InChIInChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6)
InChIKeySUHOOTKUPISOBE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(COP(=O)(O)O)N
ACDLabs 10.04O=P(O)(O)OCCN
CACTVS 3.341NCCO[P](O)(O)=O
FormulaC2 H8 N O4 P
NamePHOSPHORIC ACID MONO-(2-AMINO-ETHYL) ESTER;
COLAMINE PHOSPHORIC ACID
ChEMBLCHEMBL146972
DrugBankDB01738
ZINCZINC000003870166
PDB chain1b7a Chain A Residue 1501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1b7a Crystal structure of the phosphatidylethanolamine-binding protein from bovine brain: a novel structural class of phospholipid-binding proteins.
Resolution2.25 Å
Binding residue
(original residue number in PDB)		D69 W83 H85 S108 G109 Y119 Y180
Binding residue
(residue number reindexed from 1)		D69 W83 H85 S108 G109 Y119 Y180
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:1b7a, PDBe:1b7a, PDBj:1b7a
PDBsum1b7a
PubMed9782057
UniProtP13696|PEBP1_BOVIN Phosphatidylethanolamine-binding protein 1 (Gene Name=PEBP1)

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