Structure of PDB 3crb Chain A Binding Site BS03

Receptor Information
>3crb 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 IDCOU
InChIInChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
InChIKeyZYGHJZDHTFUPRJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc2c(c1)C=CC(=O)O2
ACDLabs 10.04O=C2Oc1ccccc1C=C2
CACTVS 3.341O=C1Oc2ccccc2C=C1
FormulaC9 H6 O2
NameCOUMARIN;
2H-1-BENZOPYRAN-2-ONE
ChEMBLCHEMBL6466
DrugBankDB04665
ZINCZINC000000074709
PDB chain3crb Chain A Residue 693 [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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PDB3crb Crystal structure of the complex of C-lobe of lactoferrin with 2-chromenone at 2.6 A resolution
Resolution2.6 Å
Binding residue
(original residue number in PDB)		E659 Y660 L661 G662
Binding residue
(residue number reindexed from 1)		E318 Y319 L320 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:3crb, PDBe:3crb, PDBj:3crb
PDBsum3crb
PubMed
UniProtP24627|TRFL_BOVIN Lactotransferrin (Gene Name=LTF)

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