Structure of PDB 5osw Chain A Binding Site BS03

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 603 [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)		L386 I387 N390 R409 E449 L452 R484 S488
Binding residue
(residue number reindexed from 1)		L386 I387 N390 R409 E449 L452 R484 S488
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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