Structure of PDB 5dby Chain A Binding Site BS02

Receptor Information
>5dby Chain A (length=580) Species: 9796 (Equus caballus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KSEIAHRFNDLGEKHFKGLVLVAFSQYLQQCPFEDHVKLVNEVTEFAKKC
AADESAENCDKSLHTLFGDKLCTVATLRATYGELADCCEKQEPERNECFL
THKDDHPNLPKLKPEPDAQCAAFQEDPDKFLGKYLYEVARRHPYFYGPEL
LFHAEEYKADFTECCPADDKAGCLIPKLDALKERILLSSAKERLKCSSFQ
NFGERAVKAWSVARLSQKFPKADFAEVSKIVTDLTKVHKECCHGDLLECA
DDRADLAKYICEHQDSISGKLKACCDKPLLQKSHCIAEVKEDDLPSDLPA
LAADFAEDKEICKHYKDAKDVFLGTFLYEYSRRHPDYSVSLLLRIAKTYE
ATLEKCCAEADPPACYATVFDQFTPLVEEPKSLVKKNCDLFEEVGEYDFQ
NALIVRYTKKAPQVSTPTLVEIGRTLGKVGSRCCKLPESERLPCSENHLA
LALNRLCVLHEKTPVSEKITKCCTDSLAERRPCFSALELDEGYVPKEFKA
ETFTFHADICTLPEDEKQIKKQSALAELVKHKPKATKEQLKTVLGNFSAF
VAKCCGAEDKEACFAEEGPKLVASSQLALA
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 chain5dby Chain A Residue 602 [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]
PDB5dby Structural Insights into the Competitive Binding of Diclofenac and Naproxen by Equine Serum Albumin.
Resolution2.35 Å
Binding residue
(original residue number in PDB)		L386 N390 F402 Y410 K413 S448 L452 S488
Binding residue
(residue number reindexed from 1)		L383 N387 F399 Y407 K410 S445 L449 S485
Annotation score1
Binding affinityMOAD: Ka=7730000M^-1
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: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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5dby, PDBe:5dby, PDBj:5dby
PDBsum5dby
PubMed26652101
UniProtP35747|ALBU_HORSE Albumin (Gene Name=ALB)

[Back to BioLiP]