Structure of PDB 4or0 Chain A Binding Site BS01

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 601 [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)		N390 R409 Y410 K413 V432 G433 L452 S488
Binding residue
(residue number reindexed from 1)		N389 R408 Y409 K412 V431 G432 L451 S487
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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