Structure of PDB 1hj1 Chain A Binding Site BS02

Receptor Information
>1hj1 Chain A (length=204) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LSPEQLVLTLLEAEPPNVLVSRPSMPFTEASMMMSLTKLADKELVHMIGW
AKKIPGFVELSLLDQVRLLESCWMEVLMVGLMWRSIDHPGKLIFAPDLVL
DRDEGKCVEGILEIFDMLLATTSRFRELKLQHKEYLCVKAMILLNSSRKL
THLLNAVTDALVWVIAKSGISSQQQSVRLANLLMLLSHVRHISNKGMEHL
LSMK
Ligand information
Ligand IDPMB
InChIInChI=1S/C6H5O3S.Hg/c7-10(8,9)6-4-2-1-3-5-6;/h2-5H,(H,7,8,9);
InChIKeyKQAOIKIZSJJTII-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1S(=O)(=O)O)[Hg]
CACTVS 3.341O[S](=O)(=O)c1ccc([Hg])cc1
ACDLabs 10.04[Hg]c1ccc(cc1)S(=O)(=O)O
FormulaC6 H5 Hg O3 S
NamePARA-MERCURY-BENZENESULFONIC ACID
ChEMBL
DrugBankDB02983
ZINC
PDB chain1hj1 Chain A Residue 1437 [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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PDB1hj1 Structural Insights Into the Mode of Action of a Pure Antiestrogen
Resolution2.3 Å
Binding residue
(original residue number in PDB)		S288 C289 E292 R421 N425
Binding residue
(residue number reindexed from 1)		S71 C72 E75 R190 N194
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:1hj1, PDBe:1hj1, PDBj:1hj1
PDBsum1hj1
PubMed11250199
UniProtQ62986|ESR2_RAT Estrogen receptor beta (Gene Name=Esr2)

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