Structure of PDB 4n6p Chain A Binding Site BS04

Receptor Information
>4n6p Chain A (length=335) 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
NDNTECLAKLGGRPTYEEYLGTEYVTAIANLKKCS
Ligand information
Ligand IDJMS
InChIInChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)
InChIKeySBDNJUWAMKYJOX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0Cc1ccc(c(c1Cl)Nc2ccccc2C(=O)O)Cl
CACTVS 3.370Cc1ccc(Cl)c(Nc2ccccc2C(O)=O)c1Cl
ACDLabs 12.01Clc2ccc(c(Cl)c2Nc1ccccc1C(=O)O)C
FormulaC14 H11 Cl2 N O2
Name2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic acid;
meclofenamic acid
ChEMBLCHEMBL509
DrugBankDB00939
ZINCZINC000000001655
PDB chain4n6p Chain A Residue 713 [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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PDB4n6p Crystal Structre of C-LOBE OF BOVINE LACTOFERRIN COMPLEXED WITH MECLOFENAMIC ACID AT 1.4 A RESOLUTION
Resolution1.4 Å
Binding residue
(original residue number in PDB)		H588 L589 A590 V591 E664
Binding residue
(residue number reindexed from 1)		H247 L248 A249 V250 E323
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:4n6p, PDBe:4n6p, PDBj:4n6p
PDBsum4n6p
PubMed
UniProtP24627|TRFL_BOVIN Lactotransferrin (Gene Name=LTF)

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