Structure of PDB 2ocu Chain A Binding Site BS03

Receptor Information
>2ocu Chain A (length=341) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YTRVVWCAVGPEEQKKCQQWSQQSGQNVTCATASTTDDCIVLVLKGEADA
LNLDGGYIYTAGKCGLVPVLAENRKSSKHSSLDCVLRPTEGYLAVAVVKK
ANEGLTWNSLKDKKSCHTAVDRTAGWNIPMGLIVNQTGSCAFDEFFSQSC
APGADPKSRLCALCAGDDQGLDKCVPNSKEKYYGYTGAFRCLAEDVGDVA
FVKNDTVWENTNGESTADWAKNLKREDFRLLCLDGTRKPVTEAQSCHLAV
APNHAVVSRSDRAAHVEQVLLHQQALFGKNGKNCPDKFCLFKSETKNLLF
NDNTECLAKLGGRPTYEEYLGTEYVTAIANLKKCSLEACAF
Ligand information
Ligand IDTYL
InChIInChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)
InChIKeyRZVAJINKPMORJF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=O)Nc1ccc(cc1)O
CACTVS 3.341CC(=O)Nc1ccc(O)cc1
ACDLabs 10.04O=C(Nc1ccc(O)cc1)C
FormulaC8 H9 N O2
NameN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)
ChEMBLCHEMBL112
DrugBankDB00316
ZINCZINC000013550868
PDB chain2ocu Chain A Residue 3001 [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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PDB2ocu Structure of the complex of C-terminal lobe of bovine lactoferrin with N-(4-hydroxyphenyl) acetamide at 2.38 A resolution
Resolution2.38 Å
Binding residue
(original residue number in PDB)		G652 E659 Y660 G662
Binding residue
(residue number reindexed from 1)		G311 E318 Y319 G321
Annotation score1
Enzymatic activity
Enzyme Commision number 3.4.21.-
Gene Ontology
Cellular Component
GO:0005576 extracellular region

View graph for
Cellular Component
External links
PDB RCSB:2ocu, PDBe:2ocu, PDBj:2ocu
PDBsum2ocu
PubMed
UniProtP24627|TRFL_BOVIN Lactotransferrin (Gene Name=LTF)

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