Structure of PDB 4jk4 Chain B Binding Site BS03

Receptor Information
>4jk4 Chain B (length=582) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
THKSEIAHRFKDLGEEHFKGLVLIAFSQYLQQCPFDEHVKLVNELTEFAK
TCVADESHAGCEKSLHTLFGDELCKVASLRETYGDMADCCEKQEPERNEC
FLSHKDDSPDLPKLKPDPNTLCDEFKADEKKFWGKYLYEIARRHPYFYAP
ELLYYANKYNGVFQECCQAEDKGACLLPKIETMREKVLTSSARQRLRCAS
IQKFGERALKAWSVARLSQKFPKAEFVEVTKLVTDLTKVHKECCHGDLLE
CADDRADLAKYICDNQDTISSKLKECCDKPLLEKSHCIAEVEKDAIPENL
PPLTADFAEDKDVCKNYQEAKDAFLGSFLYEYSRRHPEYAVSVLLRLAKE
YEATLEECCAKDDPHACYSTVFDKLKHLVDEPQNLIKQNCDQFEKLGEYG
FQNALIVRYTRKVPQVSTPTLVEVSRSLGKVGTRCCTKPESERMPCTEDY
LSLILNRLCVLHEKTPVSEKVTKCCTESLVNRRPCFSALTPDETYVPKAF
DEKLFTFHADICTLPDTEKQIKKQTALVELLKHKPKATEEQLKTVMENFV
AFVDKCCAADDKEACFAVEGPKLVVSTQTALA
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 chain4jk4 Chain B Residue 603 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4jk4 Crystallographic studies of the complexes of bovine and equine serum albumin with 3,5-diiodosalicylic acid.
Resolution2.653 Å
Binding residue
(original residue number in PDB)		L115 Y137 M184 R185
Binding residue
(residue number reindexed from 1)		L114 Y136 M183 R184
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0005504 fatty acid binding
GO:0005515 protein 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

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4jk4, PDBe:4jk4, PDBj:4jk4
PDBsum4jk4
PubMed23769932
UniProtP02769|ALBU_BOVIN Albumin (Gene Name=ALB)

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