Structure of PDB 4jk4 Chain A Binding Site BS01

Receptor Information
>4jk4 Chain A (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 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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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)		Y149 R217 L259 A260 I289
Binding residue
(residue number reindexed from 1)		Y148 R216 L258 A259 I288
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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