Structure of PDB 8bsg Chain A Binding Site BS01

Receptor Information
>8bsg Chain A (length=584) Species: 9986 (Oryctolagus cuniculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EAHKSEIAHRFNDVGEEHFIGLVLITFSQYLQKCPYEEHAKLVKEVTDLA
KACVADESAANCDKSLHDIFGDKICALPSLRDTYGDVADCCEKKEPERNE
CFLHHKDDKPDLPPFARPEADVLCKAFHDDEKAFFGHYLYEVARRHPYFY
APELLYYAQKYKAILTECCEAADKGACLTPKLDALKEKALISAAQERLRC
ASIQKFGDRAYKAWALVRLSQRFPKADFTDISKIVTDLTKVHKECCHGDL
LECADDRADLAKYMCEHQETISSHLKECCDKPILEKAHCIYGLHNDETPA
GLPAVAEEFVEDKDVCKNYEEAKDLFLGKFLYEYSRRHPDYSVVLLLRLG
KAYEATLKKCCATDDPHACYAKVLDEFQPLVDEPKNLVKQNCELYEQLGD
YNFQNALLVRYTKKVPQVSTPTLVEISRSLGKVGSKCCKHPEAERLPCVE
DYLSVVLNRLCVLHEKTPVSEKVTKCCSESLVDRRPCFSALGPDETYVPK
EFNAETFTFHADICTLPETERKIKKQTALVELVKHKPHATNDQLKTVVGE
FTALLDKCCSAEDKEACFAVEGPKLVESSKATLG
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 chain8bsg 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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PDB8bsg Structural Investigation of Diclofenac Binding to Ovine, Caprine, and Leporine Serum Albumins.
Resolution1.89 Å
Binding residue
(original residue number in PDB)		V388 N391 F403 L430 V449 R485 S489
Binding residue
(residue number reindexed from 1)		V388 N391 F403 L430 V449 R485 S489
Annotation score1
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
GO:0072562 blood microparticle

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8bsg, PDBe:8bsg, PDBj:8bsg
PDBsum8bsg
PubMed36675044
UniProtP49065|ALBU_RABIT Albumin (Gene Name=ALB)

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