Structure of PDB 5osw Chain A Binding Site BS04

Receptor Information
>5osw Chain A (length=583) Species: 9925 (Capra hircus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DTHKSEIAHRFNDLGEENFQGLVLIAFSQYLQQCPFDEHVKLVKELTEFA
KTCVADESHAGCDKSLHTLFGDELCKVATLRETYGDMADCCEKQEPERNE
CFLKHKDDSPDLPKLKPEPDTLCAEFKADEKKFWGKYLYEVARRHPYFYA
PELLYYANKYNGVFQECCQAEDKGACLLPKIETMREKVLASSARQRLRCA
SIQKFGERALKAWSVARLSQKFPKADFTDVTKIVTDLTKVHKECCHGDLL
ECADDRADLAKYICDHQDTLSSKLKECCDKPVLEKSHCIAEIDKDAVPEN
LPPLTADFAEDKEVCKNYQEAKDVFLGSFLYEYSRRHPEYAVSVLLRLAK
EYEATLEDCCAKEDPHACYATVFDKLKHLVDEPQNLIKKNCELFEKHGEY
GFQNALIVRYTRKAPQVSTPTLVEISRSLGKVGTKCCAKPESERMPCTED
YLSLILNRLCVLHEKTPVSEKVTKCCTESLVNRRPCFSDLTLDETYVPKP
FDGESFTFHADICTLPDTEKQIKKQTALVELLKHKPKATDEQLKTVMENF
VAFVDKCCAADDKEGCFLLEGPKLVASTQAALA
Ligand information
Ligand IDDIU
InChIInChI=1S/C7H4I2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)
InChIKeyDHZVWQPHNWDCFS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1c(cc(c(c1C(=O)O)O)I)I
ACDLabs 10.04Ic1cc(C(=O)O)c(O)c(I)c1
CACTVS 3.341OC(=O)c1cc(I)cc(I)c1O
FormulaC7 H4 I2 O3
Name2-HYDROXY-3,5-DIIODO-BENZOIC ACID;
2-HYDROXY-3,5-DIIODOBENZOIC ACID
ChEMBLCHEMBL1232243
DrugBankDB04674
ZINCZINC000003860382
PDB chain5osw Chain A Residue 604 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5osw Crystal structures of serum albumins from domesticated ruminants and their complexes with 3,5-diiodosalicylic acid.
Resolution1.78 Å
Binding residue
(original residue number in PDB)		Y137 Y160 M184
Binding residue
(residue number reindexed from 1)		Y137 Y160 M184
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008289 lipid binding
GO:0046872 metal ion 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:5osw, PDBe:5osw, PDBj:5osw
PDBsum5osw
PubMed29095162
UniProtB3VHM9

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