Structure of PDB 4j2v Chain A Binding Site BS01

Receptor Information
>4j2v Chain A (length=581) Species: 9796 (Equus caballus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HKSEIAHRFNDLGEKHFKGLVLVAFSQYLQQCPFEDHVKLVNEVTEFAKK
CAADESAENCDKSLHTLFGDKLCTVATLRATYGELADCCEKQEPERNECF
LTHKDDHPNLPKLKPEPDAQCAAFQEDPDKFLGKYLYEVARRHPYFYGPE
LLFHAEEYKADFTECCPADDKLACLIPKLDALKERILLSSAKERLKCSSF
QNFGERAVKAWSVARLSQKFPKADFAEVSKIVTDLTKVHKECCHGDLLEC
ADDRADLAKYICEHQDSISGKLKACCDKPLLQKSHCIAEVKEDDLPSDLP
ALAADFAEDKEICKHYKDAKDVFLGTFLYEYSRRHPDYSVSLLLRIAKTY
EATLEKCCAEADPPACYRTVFDQFTPLVEEPKSLVKKNCDLFEEVGEYDF
QNALIVRYTKKAPQVSTPTLVEIGRTLGKVGSRCCKLPESERLPCSENHL
ALALNRLCVLHEKTPVSEKITKCCTDSLAERRPCFSALELDEGYVPKEFK
AETFTFHADICTLPEDEKQIKKQSALAELVKHKPKATKEQLKTVLGNFSA
FVAKCCGREDKEACFAEEGPKLVASSQLALA
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 chain4j2v 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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PDB4j2v Crystallographic studies of the complexes of bovine and equine serum albumin with 3,5-diiodosalicylic acid.
Resolution2.12 Å
Binding residue
(original residue number in PDB)		Y149 L218 F222 L237 H241 R256 L259 A260 I263 S286 I289 A290
Binding residue
(residue number reindexed from 1)		Y147 L216 F220 L235 H239 R254 L257 A258 I261 S284 I287 A288
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0005504 fatty acid 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:4j2v, PDBe:4j2v, PDBj:4j2v
PDBsum4j2v
PubMed23769932
UniProtP35747|ALBU_HORSE Albumin (Gene Name=ALB)

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