Structure of PDB 4or0 Chain A Binding Site BS03

Receptor Information
>4or0 Chain A (length=582) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
THKSEIAHRFKDLGEEHFKGLVLIAFSQYLQQCPFDEHVKLVNELTEFAK
TCVADESHAGCEKSLHTLFGDELCKVASLRETYGDMADCCEKQEPERNEC
FLSHKDDSPDLPKLKPDPNTLCDEFKADEKKFWGKYLYEIARRHPYFYAP
ELLYYANKYNGVFQECCQAEDKGACLLPKIETMREKVLTSSARQRLRCAS
IQKFGERALKAWSVARLSQKFPKAEFVEVTKLVTDLTKVHKECCHGDLLE
CADDRADLAKYICDNQDTISSKLKECCDKPLLEKSHCIAEVEKDAIPENL
PPLTADFAEDKDVCKNYQEAKDAFLGSFLYEYSRRHPEYAVSVLLRLAKE
YEATLEECCAKDDPHACYSTVFDKLKHLVDEPQNLIKQNCDQFEKLGEYG
FQNALIVRYTRKVPQVSTPTLVEVSRSLGKVGTRCCTKPESERMPCTEDY
LSLILNRLCVLHEKTPVSEKVTKCCTESLVNRRPCFSALTPDETYVPKAF
DEKLFTFHADICTLPDTEKQIKKQTALVELLKHKPKATEEQLKTVMENFV
AFVDKCCAADDKEACFAVEGPKLVVSTQTALA
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 chain4or0 Chain A Residue 603 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4or0 Structural studies of bovine, equine, and leporine serum albumin complexes with naproxen.
Resolution2.58 Å
Binding residue
(original residue number in PDB)		R194 L197 W213 R217 L480
Binding residue
(residue number reindexed from 1)		R193 L196 W212 R216 L479
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=7.46,Kd=35nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0005504 fatty acid binding
GO:0005515 protein binding
GO:0008289 lipid binding
GO:0015643 toxic substance binding
GO:0019825 oxygen binding
GO:0030170 pyridoxal phosphate binding
GO:0046872 metal ion 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:0032991 protein-containing complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4or0, PDBe:4or0, PDBj:4or0
PDBsum4or0
PubMed24753230
UniProtP02769|ALBU_BOVIN Albumin (Gene Name=ALB)

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