Structure of PDB 5dby Chain A Binding Site BS01

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 IDDIF
InChIInChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)
InChIKeyDCOPUUMXTXDBNB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(c(c1)CC(=O)O)Nc2c(cccc2Cl)Cl
CACTVS 3.341OC(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl
ACDLabs 10.04Clc2cccc(Cl)c2Nc1ccccc1CC(=O)O
FormulaC14 H11 Cl2 N O2
Name2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID;
DICLOFENAC
ChEMBLCHEMBL139
DrugBankDB00586
ZINCZINC000000001281
PDB chain5dby Chain A Residue 601 [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)		D401 A405 V408 K540 K544
Binding residue
(residue number reindexed from 1)		D398 A402 V405 K537 K541
Annotation score1
Binding affinityMOAD: Ka=39000M^-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]