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Receptor Information

>7prv Chain B (length=321) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

PKLCLVCSDEASGCHYGVLTCGSCKVFFKRAVEGQHNYLCAGRNDCIIDK
IRRKNCPACRYRKCLQAGMNLQLTPTLVSLLEVIEPEVLYAGYDSSVPDS
TWRIMTTLNMLGGRQMIAAVKWAKAIPGFRNLHLDDQMTLLQYSWMSLMA
FALGWRSYRQSSANLLCFAPDLIINEQRMTLPDMYDQCKHMLYVSSELHR
LQVSYEEYLCMKTLLLLSSVPKDGLKSQELFDEIRMTYIKELGKAIVKRE
GNSSQNWQRFYQLTKLLDSMHEVVENLLNYCFQTFLDKTMSIEFPEMLAE
IITNQIPKYSNGNIKKLLFHQ

Ligand ID

GW6

InChI

InChI=1S/C27H29F3O6S/c1-14-9-16-17-11-19(29)18-10-15(31)6-7-24(18,2)26(17,30)21(32)12-25(16,3)27(14,23(34)37-13-28)36-22(33)20-5-4-8-35-20/h4-8,10,14,16-17,19,21,32H,9,11-13H2,1-3H3/t14-,16+,17+,19+,21+,24+,25+,26+,27+/m1/s1

InChIKey

XTULMSXFIHGYFS-VLSRWLAYSA-N

SMILES

Software	SMILES
ACDLabs 10.04	O=C(SCF)C5(OC(=O)c1occc1)C4(C)CC(O)C3(F)C2(C=CC(=O)C=C2C(F)CC3C4CC5C)C
CACTVS 3.341	C[CH]1C[CH]2[CH]3C[CH](F)C4=CC(=O)C=C[C]4(C)[C]3(F)[CH](O)C[C]2(C)[C]1(OC(=O)c5occc5)C(=O)SCF
OpenEye OEToolkits 1.5.0	C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)SCF)OC(=O)c5ccco5)C)O)F)C)F
OpenEye OEToolkits 1.5.0	CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)SCF)OC(=O)c5ccco5)C)O)F)C)F
CACTVS 3.341	C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c5occc5)C(=O)SCF

Formula

C27 H29 F3 O6 S

Name

(6alpha,11alpha,14beta,16alpha,17alpha)-6,9-difluoro-17-{[(fluoromethyl)sulfanyl]carbonyl}-11-hydroxy-16-methyl-3-oxoan drosta-1,4-dien-17-yl furan-2-carboxylate;
Fluticasone furoate

PDB chain

7prv Chain B Residue 803 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	7prv Quaternary glucocorticoid receptor structure highlights allosteric interdomain communication.
Resolution	2.7 Å
Binding residue (original residue number in PDB)	M560 L563 N564 Q570 M601 M604 A605 R611 F623 Q642 M646 L732 Y735 C736 F749
Binding residue (residue number reindexed from 1)	M105 L108 N109 Q115 M146 M149 A150 R156 F168 Q187 M191 L277 Y280 C281 F294
Annotation score	1

Enzyme Commision number

	Molecular Function
GO:0003700	DNA-binding transcription factor activity
GO:0008270	zinc ion binding
GO:0043565	sequence-specific DNA binding

	Biological Process
GO:0006355	regulation of DNA-templated transcription

PDB	RCSB:7prv, PDBe:7prv, PDBj:7prv
PDBsum	7prv
PubMed	36747092
UniProt	P04150\|GCR_HUMAN Glucocorticoid receptor (Gene Name=NR3C1)

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Structure of PDB 7prv Chain B Binding Site BS05