Structure of PDB 5dxp Chain B Binding Site BS02

Receptor Information
>5dxp Chain B (length=230) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELV
HMINWAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFA
PNLLLDRNQGKCVMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSG
VYEKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMS
NKGMEHLYSMKCKNVVPLSDLLLEMLDAHR
Ligand information
Ligand ID5HX
InChIInChI=1S/C22H24O/c23-20-14-12-19(13-15-20)22(16-6-2-1-3-7-16)21-17-8-4-9-18(21)11-5-10-17/h1-3,6-7,12-15,17-18,23H,4-5,8-11H2/b22-21-/t17-,18+
InChIKeyOEIKGQLRHZSEKK-UCLBXIDTSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1ccc(cc1)C(=C2C3CCCC2CCC3)c4ccc(cc4)O
ACDLabs 12.01C1C2CCCC(CC1)/C2=C(\c3ccc(O)cc3)c4ccccc4
CACTVS 3.385Oc1ccc(cc1)[C](c2ccccc2)=[C]3C4C[CH2]CC3CCC4
FormulaC22 H24 O
Name4-[(E)-(1s,5s)-bicyclo[3.3.1]non-9-ylidene(phenyl)methyl]phenol
ChEMBL
DrugBank
ZINC
PDB chain5dxp Chain B Residue 901 [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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PDB5dxp Predictive features of ligand-specific signaling through the estrogen receptor.
Resolution2.201 Å
Binding residue
(original residue number in PDB)		T347 A350 E353 F404 G521
Binding residue
(residue number reindexed from 1)		T42 A45 E48 F99 G203
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5dxp, PDBe:5dxp, PDBj:5dxp
PDBsum5dxp
PubMed27107013
UniProtP03372|ESR1_HUMAN Estrogen receptor (Gene Name=ESR1)

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