Structure of PDB 6hn0 Chain A Binding Site BS01

Receptor Information
>6hn0 Chain A (length=583) Species: 9940 (Ovis aries) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DTHKSEIAHRFNDLGEENFQGLVLIAFSQYLQQCPFDEHVKLVKELTEFA
KTCVADESHAGCDKSLHTLFGDELCKVATLRETYGDMADCCEKQEPERNE
CFLNHKDDSPDLPKLKPEPDTLCAEFKADEKKFWGKYLYEVARRHPYFYA
PELLYYANKYNGVFQECCQAEDKGACLLPKIDAMREKVLASSARQRLRCA
SIQKFGERALKAWSVARLSQKFPKADFTDVTKIVTDLTKVHKECCHGDLL
ECADDRADLAKYICDHQDALSSKLKECCDKPVLEKSHCIAEVDKDAVPEN
LPPLTADFAEDKEVCKNYQEAKDVFLGSFLYEYSRRHPEYAVSVLLRLAK
EYEATLEDCCAKEDPHACYATVFDKLKHLVDEPQNLIKKNCELFEKHGEY
GFQNALIVRYTRKAPQVSTPTLVEISRSLGKVGTKCCAKPESERMPCTED
YLSLILNRLCVLHEKTPVSEKVTKCCTESLVNRRPCFSDLTLDETYVPKP
FDEKFFTFHADICTLPDTEKQIKKQTALVELLKHKPKATDEQLKTVMENF
VAFVDKCCAADDKEGCFVLEGPKLVASTQAALA
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 chain6hn0 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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PDB6hn0 Structural Investigation of Diclofenac Binding to Ovine, Caprine, and Leporine Serum Albumins.
Resolution2.12 Å
Binding residue
(original residue number in PDB)		L386 I387 N390 F402 V432 G433 T448 L452 R484 S488
Binding residue
(residue number reindexed from 1)		L386 I387 N390 F402 V432 G433 T448 L452 R484 S488
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008289 lipid binding
GO:0046872 metal ion binding
GO:1903981 enterobactin binding
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0005737 cytoplasm
GO:0072562 blood microparticle

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:6hn0, PDBe:6hn0, PDBj:6hn0
PDBsum6hn0
PubMed36675044
UniProtP14639|ALBU_SHEEP Albumin (Gene Name=ALB)

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