Structure of PDB 7yxr Chain A Binding Site BS02

Receptor Information
>7yxr Chain A (length=244) Species: 32644 (unidentified) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EFPTLISLLEVIEPEVLASGYDSTLPDTSTRLMSTLNRLGGRQVVSAVKW
AKALPGFRNLHLDDQMTLLQYSWMSLMAFSLGWRSYKQSNGNMLCFAPDL
VINEERMQLPYMYDQCQQMLKISSEFVRLQVSYDEYLCMKVLLLLSTVPK
DGLKSQAVFDEIRMTYIKELGKAIVKRSQNWQRFYQLTKLLDSMHEMVGG
LLQFCFYTFVNKSLSVEFPEMLAEIISNQLPKFKAGSVKPLLFH
Ligand information
Ligand IDDEX
InChIInChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
InChIKeyUREBDLICKHMUKA-CXSFZGCWSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[CH]1C[CH]2[CH]3CCC4=CC(=O)C=C[C]4(C)[C]3(F)[CH](O)C[C]2(C)[C]1(O)C(=O)CO
CACTVS 3.341C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
ACDLabs 10.04O=C(CO)C3(O)C2(CC(O)C4(F)C1(C(=CC(=O)C=C1)CCC4C2CC3C)C)C
OpenEye OEToolkits 1.5.0CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C
OpenEye OEToolkits 1.5.0C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C
FormulaC22 H29 F O5
NameDEXAMETHASONE;
9A-FLUORO-16BETA-METHYLPREDNISOLONE
ChEMBLCHEMBL384467
DrugBankDB01234
ZINCZINC000003875332
PDB chain7yxr Chain A Residue 1001 [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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PDB7yxr The multivalency of the glucocorticoid receptor ligand-binding domain explains its manifold physiological activities.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		M560 L563 N564 Q570 M604 F623 Q642 C736 T739
Binding residue
(residue number reindexed from 1)		M33 L36 N37 Q43 M77 F96 Q115 C205 T208
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0004879 nuclear receptor activity
GO:0034056 estrogen response element binding
Biological Process
GO:0006357 regulation of transcription by RNA polymerase II
GO:0030518 nuclear receptor-mediated steroid hormone signaling pathway

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7yxr, PDBe:7yxr, PDBj:7yxr
PDBsum7yxr
PubMed36464162
UniProtA0A1X8XLE9

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