Structure of PDB 4mgc Chain B Binding Site BS02

Receptor Information
>4mgc Chain B (length=237) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADREL
VHMINWAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLF
APNLLLDRNQGKCVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILL
NSGVYTFEEKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILS
HIRHMSNKGMEHLYSMKCKNVVPLSDLLLEMLDAHRL
Ligand information
Ligand ID27M
InChIInChI=1S/C13H10O5/c14-7-1-3-9(11(16)5-7)13(18)10-4-2-8(15)6-12(10)17/h1-6,14-17H
InChIKeyWXNRYSGJLQFHBR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(c(cc1O)O)C(=O)c2ccc(cc2O)O
CACTVS 3.385Oc1ccc(c(O)c1)C(=O)c2ccc(O)cc2O
ACDLabs 12.01O=C(c1ccc(O)cc1O)c2ccc(O)cc2O
FormulaC13 H10 O5
Namebis(2,4-dihydroxyphenyl)methanone
ChEMBLCHEMBL3185091
DrugBank
ZINCZINC000000039103
PDB chain4mgc 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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PDB4mgc Structural and functional profiling of environmental ligands for estrogen receptors.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		L349 A350 E353 H524 L525
Binding residue
(residue number reindexed from 1)		L45 A46 E49 H212 L213
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:4mgc, PDBe:4mgc, PDBj:4mgc
PDBsum4mgc
PubMed25260197
UniProtP03372|ESR1_HUMAN Estrogen receptor (Gene Name=ESR1)

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