Structure of PDB 6qs9 Chain A Binding Site BS01

Receptor Information
>6qs9 Chain A (length=580) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KSEIAHRFKDLGEEHFKGLVLIAFSQYLQQCPFDEHVKLVNELTEFAKTC
VADESHAGCEKSLHTLFGDELCKVASLRETYGDMADCCEKQEPERNECFL
SHKDDSPDLPKLKPDPNTLCDEFKADEKKFWGKYLYEIARRHPYFYAPEL
LYYANKYNGVFQECCQAEDKGACLLPKIETMREKVLASSARQRLRCASIQ
KFGERALKAWSVARLSQKFPKAEFVEVTKLVTDLTKVHKECCHGDLLECA
DDRADLAKYICDNQDTISSKLKECCDKPLLEKSHCIAEVEKDAIPENLPP
LTADFAEDKDVCKNYQEAKDAFLGSFLYEYSRRHPEYAVSVLLRLAKEYE
ATLEECCAKDDPHACYSTVFDKLKHLVDEPQNLIKQNCDQFEKLGEYGFQ
NALIVRYTRKVPQVSTPTLVEVSRSLGKVGTRCCTKPESERMPCTEDYLS
LILNRLCVLHEKTPVSEKVTKCCTESLVNRRPCFSALTPDETYVPKAFDE
KLFTFHADICTLPDTEKQIKKQTALVELLKHKPKATEEQLKTVMENFVAF
VDKCCAADDKEACFAVEGPKLVVSTQTALA
Ligand information
Ligand IDJGE
InChIInChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)/t11-/m1/s1
InChIKeyDKYWVDODHFEZIM-LLVKDONJSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C[C@H](c1cccc(c1)C(=O)c2ccccc2)C(=O)O
CACTVS 3.385C[CH](C(O)=O)c1cccc(c1)C(=O)c2ccccc2
OpenEye OEToolkits 2.0.7CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)O
CACTVS 3.385C[C@@H](C(O)=O)c1cccc(c1)C(=O)c2ccccc2
FormulaC16 H14 O3
Name(R)-Ketoprofen
ChEMBLCHEMBL372052
DrugBank
ZINCZINC000000002272
PDB chain6qs9 Chain A Residue 601 [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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PDB6qs9 Biohybrid Electrospun Membrane for the Filtration of Ketoprofen Drug from Water.
Resolution2.802 Å
Binding residue
(original residue number in PDB)		Y149 R198 H241 R256 L259 I263 S286 I289 A290
Binding residue
(residue number reindexed from 1)		Y146 R195 H238 R253 L256 I260 S283 I286 A287
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Cellular Component
GO:0005615 extracellular space

View graph for
Cellular Component
External links
PDB RCSB:6qs9, PDBe:6qs9, PDBj:6qs9
PDBsum6qs9
PubMed31460455
UniProtP02769|ALBU_BOVIN Albumin (Gene Name=ALB)

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