Structure of PDB 4for Chain A Binding Site BS04

Receptor Information

>4for Chain A (length=335) Species: 9913 (Bos taurus)

YTRVVWCAVGPEEQKKCQQWSQQSGQNVTCATASTTDDCIVLVLKGEADA
LNLDGGYIYTAGKCGLVPVLAENRKSSKHSSLDCVLRPTEGYLAVAVVKK
ANEGLTWNSLKDKKSCHTAVDRTAGWNIPMGLIVNQTGSCAFDEFFSQSC
APGADPKSRLCALCAGDDQGLDKCVPNSKEKYYGYTGAFRCLAEDVGDVA
FVKNDTVWENTNGESTADWAKNLKREDFRLLCLDGTRKPVTEAQSCHLAV
APNHAVVSRSDRAAHVEQVLLHQQALFGKNGKNCPDKFCLFKSETKNLLF
NDNTECLAKLGGRPTYEEYLGTEYVTAIANLKKCS

Ligand information

• Ligand ID: FLP
• InChI: InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m0/s1
• InChIKey: SYTBZMRGLBWNTM-JTQLQIEISA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C[C@@H](c1ccc(c(c1)F)c2ccccc2)C(=O)O
  CACTVS 3.341: C[C@H](C(O)=O)c1ccc(c(F)c1)c2ccccc2
  CACTVS 3.341: C[CH](C(O)=O)c1ccc(c(F)c1)c2ccccc2
  OpenEye OEToolkits 1.5.0: CC(c1ccc(c(c1)F)c2ccccc2)C(=O)O
  ACDLabs 10.04: Fc2cc(ccc2c1ccccc1)C(C(=O)O)C
• Formula: C15 H13 F O2
• Name: FLURBIPROFEN
• ChEMBL: CHEMBL435298
• DrugBank: DB16159
• ZINC: ZINC000000000323
• PDB chain: 4for Chain A Residue 711

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4for Crystal Structure of C-lobe of Bovine lactoferrin Complexed with Flurbiprofen at 1.58 A Resolution
• Resolution: 1.58 Å
• Binding residue (original residue number in PDB): T430 P593 N594 Y660
• Binding residue (residue number reindexed from 1): T89 P252 N253 Y319
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.4.21.-

Gene Ontology

Cellular Component

• GO:0005576 extracellular region

External links

• PDB: RCSB:4for, PDBe:4for, PDBj:4for
• PDBsum: 4for
• UniProt: P24627|TRFL_BOVIN Lactotransferrin (Gene Name=LTF)