Structure of PDB 6qs9 Chain B Binding Site BS01

Receptor Information

>6qs9 Chain B (length=576) Species: 9913 (Bos taurus)

HKSEIAHRFKDLGEEHFKGLVLIAFSQYLQQCPFDEHVKLVNELTEFAKT
CVADESHAGCEKSLHTLFGDELCKVASLRETYGDMADCCEKQEPERNECF
LSHKDDSPDLPKLKPDPNTLCDEFKADEKKFWGKYLYEIARRHPYFYAPE
LLYYANKYNGVFQECCQAEDKGACLLPKIETMREKVLASSARQRLRCASI
QKFGERALKAWSVARLSQKFPKAEFVEVTKLVTDLTKVHKECCHGDLLEC
ADDRADLAKYICDNQDTISSKLKECCDKPLLEKSHCIAEVEKDAIPENLP
PLTADFAEDKDVCKNYQEAKDAFLGSFLYEYSRRHPEYAVSVLLRLAKEY
EATLECCADDPHACYSTVFDKLKHLVDEPQNLIKQNCDQFEKLGEYGFQN
ALIVRYTRKVPQVSTPTLVEVSRSLGKVGTRCCTKPESERMPCTEDYLSL
ILNRLCVLHEKTPVSEKVTKCCTESLVNRRPCFSALTPDETYVPKAFDEK
LFTFHADICTLPDTEKQIKKQTALVELLKHKPKATEEQLKTVMENFVAFV
DKCCDKEACFAVEGPKLVVSTQTALA

Ligand information

• Ligand ID: JGE
• InChI: InChI=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
• InChIKey: DKYWVDODHFEZIM-LLVKDONJSA-N
• SMILES:
  OpenEye OEToolkits 2.0.7: C[C@H](c1cccc(c1)C(=O)c2ccccc2)C(=O)O
  CACTVS 3.385: C[CH](C(O)=O)c1cccc(c1)C(=O)c2ccccc2
  OpenEye OEToolkits 2.0.7: CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)O
  CACTVS 3.385: C[C@@H](C(O)=O)c1cccc(c1)C(=O)c2ccccc2
• Formula: C16 H14 O3
• Name: (R)-Ketoprofen
• ChEMBL: CHEMBL372052
• ZINC: ZINC000000002272
• PDB chain: 6qs9 Chain B Residue 601

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6qs9 Biohybrid Electrospun Membrane for the Filtration of Ketoprofen Drug from Water.
• Resolution: 2.802 Å
• Binding residue (original residue number in PDB): Y149 R198 H241 R256 L259 A260 S286
• Binding residue (residue number reindexed from 1): Y147 R196 H239 R254 L257 A258 S284
• Annotation score: 1

Gene Ontology

Cellular Component

• GO:0005615 extracellular space

External links

• PDB: RCSB:6qs9, PDBe:6qs9, PDBj:6qs9
• PDBsum: 6qs9
• PubMed: 31460455
• UniProt: P02769|ALBU_BOVIN Albumin (Gene Name=ALB)