Structure of PDB 1utr Chain B Binding Site BS01

Receptor Information
>1utr Chain B (length=68) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ICPGFLQVLEALLLGSESNYEAALKPFNPASDLQNAGTQLKRLVDTLPQE
TRINIVKLTEKILTSPLC
Ligand information
Ligand IDPCB
InChIInChI=1S/C14H10Cl4O4S2/c1-23(19,20)13-5-9(15)7(3-11(13)17)8-4-12(18)14(6-10(8)16)24(2,21)22/h3-6H,1-2H3
InChIKeyRDBKPLOYRMCFIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CS(=O)(=O)c1cc(c(cc1Cl)c2cc(c(cc2Cl)S(=O)(=O)C)Cl)Cl
ACDLabs 10.04Clc2cc(c(Cl)cc2c1c(Cl)cc(c(Cl)c1)S(=O)(=O)C)S(=O)(=O)C
CACTVS 3.341C[S](=O)(=O)c1cc(Cl)c(cc1Cl)c2cc(Cl)c(cc2Cl)[S](C)(=O)=O
FormulaC14 H10 Cl4 O4 S2
Name4,4'-BIS([H]METHYLSULFONYL)-2,2',5,5'-TETRACHLOROBIPHENYL
ChEMBL
DrugBankDB08373
ZINC
PDB chain1utr Chain A Residue 78 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1utr Solution structure of a mammalian PCB-binding protein in complex with a PCB.
ResolutionN/A
Binding residue
(original residue number in PDB)		L15 Y23 L43 I58 L61 T62
Binding residue
(residue number reindexed from 1)		L12 Y20 L40 I55 L58 T59
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=8.00,Kd=10nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0007165 signal transduction

View graph for
Biological Process
External links
PDB RCSB:1utr, PDBe:1utr, PDBj:1utr
PDBsum1utr
PubMed7583672
UniProtP17559|UTER_RAT Uteroglobin (Gene Name=Scgb1a1)

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