Structure of PDB 4ned Chain A Binding Site BS03
Receptor Information
>4ned Chain A (length=341) Species:
9913
(Bos taurus) [
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YTRVVWCAVGPEEQKKCQQWSQQSGQNVTCATASTTDDCIVLVLKGEADA
LNLDGGYIYTAGKCGLVPVLAENRKSSKHSSLDCVLRPTEGYLAVAVVKK
ANEGLTWNSLKDKKSCHTAVDRTAGWNIPMGLIVNQTGSCAFDEFFSQSC
APGADPKSRLCALCAGDDQGLDKCVPNSKEKYYGYTGAFRCLAEDVGDVA
FVKNDTVWENTNGESTADWAKNLKREDFRLLCLDGTRKPVTEAQSCHLAV
APNHAVVSRSDRAAHVEQVLLHQQALFGKNGKNCPDKFCLFKSETKNLLF
NDNTECLAKLGGRPTYEEYLGTEYVTAIANLKKCSLEACAF
Ligand information
Ligand ID
PFN
InChI
InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17)/t11-/m1/s1
InChIKey
RDJGLLICXDHJDY-LLVKDONJSA-N
SMILES
Software
SMILES
CACTVS 3.352
C[CH](C(O)=O)c1cccc(Oc2ccccc2)c1
OpenEye OEToolkits 1.6.1
C[C@H](c1cccc(c1)Oc2ccccc2)C(=O)O
OpenEye OEToolkits 1.6.1
CC(c1cccc(c1)Oc2ccccc2)C(=O)O
CACTVS 3.352
C[C@@H](C(O)=O)c1cccc(Oc2ccccc2)c1
ACDLabs 10.04
O=C(O)C(c2cc(Oc1ccccc1)ccc2)C
Formula
C15 H14 O3
Name
FENOPROFEN;
(2R)-2-(3-PHENOXYPHENYL)PROPANOIC ACID
ChEMBL
CHEMBL249244
DrugBank
ZINC
ZINC000000402909
PDB chain
4ned Chain A Residue 709 [
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Receptor-Ligand Complex Structure
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PDB
4ned
Crystal STRUCTURE OF C-LOBE OF BOVINE LACTOFERRIN COMPLEXED WITH FENOPROFEN AT 2.1 ANGSTROM RESOLUTION
Resolution
2.1 Å
Binding residue
(original residue number in PDB)
D378 D462 S676 A685
Binding residue
(residue number reindexed from 1)
D37 D121 S335 A340
Annotation score
1
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:4ned
,
PDBe:4ned
,
PDBj:4ned
PDBsum
4ned
PubMed
UniProt
P24627
|TRFL_BOVIN Lactotransferrin (Gene Name=LTF)
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