Structure of PDB 2nuv Chain A Binding Site BS01

Receptor Information
>2nuv 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 ID2TN
InChIInChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)/t12-/m1/s1
InChIKeyMETKIMKYRPQLGS-GFCCVEGCSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(N)Cc1ccc(OCC(O)CNC(C)C)cc1
OpenEye OEToolkits 1.5.0CC(C)NCC(COc1ccc(cc1)CC(=O)N)O
CACTVS 3.341CC(C)NC[CH](O)COc1ccc(CC(N)=O)cc1
CACTVS 3.341CC(C)NC[C@@H](O)COc1ccc(CC(N)=O)cc1
FormulaC14 H22 N2 O3
Name2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE;
ATENOLOL
ChEMBLCHEMBL1230004
DrugBankDB06987
ZINCZINC000000014007
PDB chain2nuv Chain A Residue 2001 [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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PDB2nuv Crystal structure of the complex of C-terminal lobe of bovine lactoferrin with atenolol at 2.25 A resolution
Resolution2.25 Å
Binding residue
(original residue number in PDB)		P429 T430 E659
Binding residue
(residue number reindexed from 1)		P88 T89 E318
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:2nuv, PDBe:2nuv, PDBj:2nuv
PDBsum2nuv
PubMed
UniProtP24627|TRFL_BOVIN Lactotransferrin (Gene Name=LTF)

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