Structure of PDB 4po0 Chain A Binding Site BS02

Receptor Information
>4po0 Chain A (length=583) Species: 9986 (Oryctolagus cuniculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AHKSEIAHRFNDVGEEHFIGLVLITFSQYLQKCPYEEHAKLVKEVTDLAK
ACVADESAANCDKSLHDIFGDKICALPSLRDTYGDVADCCEKKEPERNEC
FLHHKDDKPDLPPFARPEADVLCKAFHDDEKAFFGHYLYEVARRHPYFYA
PELLYYAQKYKAILTECCEAADKGACLTPKLDALKEKALISAAQERLRCA
SIQKFGDRAYKAWALVRLSQRFPKADFTDISKIVTDLTKVHKECCHGDLL
ECADDRADLAKYMCEHQETISSHLKECCDKPILEKAHCIYGLHNDETPAG
LPAVAEEFVEDKDVCKNYEEAKDLFLGKFLYEYSRRHPDYSVVLLLRLGK
AYEATLKKCCATDDPHACYAKVLDEFQPLVDEPKNLVKQNCELYEQLGDY
NFQNALLVRYTKKVPQVSTPTLVEISRSLGKVGSKCCKHPEAERLPCVED
YLSVVLNRLCVLHEKTPVSEKVTKCCSESLVDRRPCFSALGPDETYVPKE
FNAETFTFHADICTLPETERKIKKQTALVELVKHKPHATNDQLKTVVGEF
TALLDKCCSAEDKEACFAVEGPKLVESSKATLG
Ligand information
Ligand IDNPS
InChIInChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1
InChIKeyCMWTZPSULFXXJA-VIFPVBQESA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(c1ccc2cc(ccc2c1)OC)C(=O)O
CACTVS 3.341COc1ccc2cc(ccc2c1)[C@H](C)C(O)=O
ACDLabs 10.04O=C(O)C(c1ccc2c(c1)ccc(OC)c2)C
OpenEye OEToolkits 1.5.0C[C@@H](c1ccc2cc(ccc2c1)OC)C(=O)O
CACTVS 3.341COc1ccc2cc(ccc2c1)[CH](C)C(O)=O
FormulaC14 H14 O3
Name(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid;
NAPROXEN
ChEMBLCHEMBL154
DrugBankDB00788
ZINCZINC000000105216
PDB chain4po0 Chain A Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4po0 Structural studies of bovine, equine, and leporine serum albumin complexes with naproxen.
Resolution2.73 Å
Binding residue
(original residue number in PDB)		R209 A213 G328 L331 G350
Binding residue
(residue number reindexed from 1)		R208 A212 G327 L330 G349
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=6.92,Kd=0.12uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0005504 fatty acid binding
GO:0008289 lipid binding
GO:0015643 toxic substance binding
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
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0005737 cytoplasm
GO:0005783 endoplasmic reticulum
GO:0005794 Golgi apparatus
GO:0032991 protein-containing complex
GO:0070062 extracellular exosome
GO:0072562 blood microparticle

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4po0, PDBe:4po0, PDBj:4po0
PDBsum4po0
PubMed24753230
UniProtG1U9S2

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