Structure of PDB 4g77 Chain A Binding Site BS03

Receptor Information
>4g77 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 IDTLF
InChIInChI=1S/C14H12ClNO2/c1-9-11(15)6-4-8-12(9)16-13-7-3-2-5-10(13)14(17)18/h2-8,16H,1H3,(H,17,18)
InChIKeyYEZNLOUZAIOMLT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1c(cccc1Cl)Nc2ccccc2C(=O)O
CACTVS 3.370Cc1c(Cl)cccc1Nc2ccccc2C(O)=O
ACDLabs 12.01Clc2cccc(Nc1ccccc1C(=O)O)c2C
FormulaC14 H12 Cl N O2
Name2-[(3-chloro-2-methylphenyl)amino]benzoic acid;
Tolfenamic acid
ChEMBLCHEMBL121626
DrugBankDB09216
ZINCZINC000000002188
PDB chain4g77 Chain A Residue 711 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4g77 Crystal Structure of C-lobe of Bovine lactoferrin Complexed with tolfenamic acid at 1.98 A Resolution
Resolution1.98 Å
Binding residue
(original residue number in PDB)		H588 A590 V591 E664 Y665
Binding residue
(residue number reindexed from 1)		H247 A249 V250 E323 Y324
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:4g77, PDBe:4g77, PDBj:4g77
PDBsum4g77
PubMed
UniProtP24627|TRFL_BOVIN Lactotransferrin (Gene Name=LTF)

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