Structure of PDB 2jf9 Chain C Binding Site BS03

Receptor Information
>2jf9 Chain C (length=214) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADREL
VHMINWAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLF
APNLLLDRNQGKCVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILL
NSGVEEKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIR
HMSNKGMEHLYSMK
Ligand information
Ligand IDBCT
InChIInChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1
InChIKeyBVKZGUZCCUSVTD-UHFFFAOYSA-M
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(=O)(O)[O-]
CACTVS 3.341OC([O-])=O
ACDLabs 10.04[O-]C(=O)O
FormulaC H O3
NameBICARBONATE ION
ChEMBL
DrugBank
ZINC
PDB chain2jf9 Chain A Residue 700 [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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PDB2jf9 Structural Insights Into Corepressor Recognition by Antagonist-Bound Estrogen Receptors.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		L327 Y328 R352
Binding residue
(residue number reindexed from 1)		L23 Y24 R48
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:2jf9, PDBe:2jf9, PDBj:2jf9
PDBsum2jf9
PubMed17283072
UniProtP03372|ESR1_HUMAN Estrogen receptor (Gene Name=ESR1)

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