Structure of PDB 4po0 Chain A Binding Site BS01

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 601 [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)		N391 Y411 K414 V449 L453 R485 F488 S489
Binding residue
(residue number reindexed from 1)		N390 Y410 K413 V448 L452 R484 F487 S488
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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