Structure of PDB 7jwn Chain A Binding Site BS02

Receptor Information
>7jwn Chain A (length=583) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HKSEVAHRFKDLGEENFKALVLIAFAQYLQQCPFEDHVKLVNEVTEFAKT
CVADESAENCDKSLHTLFGDKLCTVATLRETYGEMADCCAKQEPERNECF
LQHKDDNPNLPRLVRPEVDVMCTAFHDNEETFLKKYLYEIARRHPYFYAP
ELLFFAKRYKAAFTECCQAADKAACLLPKLDELRDEGKASSAKQRLKCAS
LQKFGERAFKAWAVARLSQRFPKAEFAEVSKLVTDLTKVHTECCHGDLLE
CADDRADLAKYICENQDSISSKLKECCEKPLLEKSHCIAEVENDEMPADL
PSLAADFVESKDVCKNYAEAKDVFLGMFLYEYARRHPDYSVVLLLRLAKT
YETTLEKCCAAADPHECYAKVFDEFKPLVEEPQNLIKQNCELFEQLGEYK
FQNALLVRYTKKVPQVSTPTLVEVSRNLGKVGSKCCKHPEAKRMPCAEDY
LSVVLNQLCVLHEKTPVSDRVTKCCTESLVNRRPCFSALEVDETYVPKEF
NAETFTFHADICTLSEKERQIKKQTALVELVKHKPKATKEQLKAVMDDFA
AFVEKCCKADDKETCFAEEGKKLVAASQAALGL
Ligand information
Ligand ID9KL
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-/m0/s1
InChIKeyDKYWVDODHFEZIM-NSHDSACASA-N
SMILES
SoftwareSMILES
CACTVS 3.385C[CH](C(O)=O)c1cccc(c1)C(=O)c2ccccc2
OpenEye OEToolkits 2.0.6CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)O
OpenEye OEToolkits 2.0.6C[C@@H](c1cccc(c1)C(=O)c2ccccc2)C(=O)O
CACTVS 3.385C[C@H](C(O)=O)c1cccc(c1)C(=O)c2ccccc2
ACDLabs 12.01c1cc(C(C)C(=O)O)cc(c1)C(=O)c2ccccc2
FormulaC16 H14 O3
Name(2S)-2-[3-(benzenecarbonyl)phenyl]propanoic acid;
Dexketoprofen
ChEMBLCHEMBL75435
DrugBankDB09214
ZINCZINC000000005560
PDB chain7jwn Chain A Residue 2304 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7jwn Organism-specific differences in the binding of ketoprofen to serum albumin.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		R117 Y138 L139 A158 Y161 F165
Binding residue
(residue number reindexed from 1)		R115 Y136 L137 A156 Y159 F163
Annotation score1
Binding affinityBindingDB: Ki=99999999999999nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0005504 fatty acid binding
GO:0005507 copper ion binding
GO:0005515 protein binding
GO:0008289 lipid binding
GO:0015643 toxic substance binding
GO:0016209 antioxidant activity
GO:0019825 oxygen binding
GO:0030170 pyridoxal phosphate binding
GO:0042802 identical protein binding
GO:0046872 metal ion binding
GO:0051087 protein-folding chaperone binding
GO:0140272 exogenous protein binding
GO:1903981 enterobactin binding
Biological Process
GO:0009267 cellular response to starvation
GO:0051902 negative regulation of mitochondrial depolarization
GO:0072732 cellular response to calcium ion starvation
GO:0098869 cellular oxidant detoxification
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005783 endoplasmic reticulum
GO:0005788 endoplasmic reticulum lumen
GO:0005794 Golgi apparatus
GO:0031093 platelet alpha granule lumen
GO:0032991 protein-containing complex
GO:0070062 extracellular exosome
GO:0072562 blood microparticle

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7jwn, PDBe:7jwn, PDBj:7jwn
PDBsum7jwn
PubMed36071810
UniProtP02768|ALBU_HUMAN Albumin (Gene Name=ALB)

[Back to BioLiP]