Structure of PDB 4tv1 Chain B Binding Site BS02

Receptor Information
>4tv1 Chain B (length=233) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LALSLTADQMVSALLDAEPPILYSEYDPTRFSEASMMGLLTNLADRELVH
MINWAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAP
NLLLDRNQGKCVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNS
GVYTFEKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIR
HMSNKGMEHLYSMKCKNVVPLSDLLLEMLDAHR
Ligand information
Ligand ID36M
InChIInChI=1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3
InChIKeyQELSKZZBTMNZEB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2CCCOC(=O)c1ccc(cc1)O
ACDLabs 12.01O=C(OCCC)c1ccc(O)cc1
CACTVS 3.385CCCOC(=O)c1ccc(O)cc1
FormulaC10 H12 O3
Namepropyl 4-hydroxybenzoate
ChEMBLCHEMBL194014
DrugBankDB14177
ZINCZINC000001586788
PDB chain4tv1 Chain B Residue 601 [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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PDB4tv1 A structural perspective on nuclear receptors as targets of environmental compounds.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		E353 F404
Binding residue
(residue number reindexed from 1)		E47 F98
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:4tv1, PDBe:4tv1, PDBj:4tv1
PDBsum4tv1
PubMed25500867
UniProtP03372|ESR1_HUMAN Estrogen receptor (Gene Name=ESR1)

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