Structure of PDB 6el9 Chain A

Receptor sequence

>6el9A (length=247) Species: 9606 (Homo sapiens) [Search protein sequence]

PTLVSLLEVIEPEVLYAGYDSSVPDSTWRIMTTLNMLGGRQMIAAVKWAK
AIPGFRNLHLDDQMTLLQYSWMSLMAFALGWRSYRQSSANLLCFAPDLII
NEQRMTLPDMYDQCKHMLYVSSELHRLQVSYEEYLCMKTLLLLSSVPKDG
LKSQALFDEIRMTYIKELGKAIVKREGNSSQNSQRFYQLTKLLDSMHEVV
ENLLNYCFQTFLDKTMSIEFPEMLAEIITNQIPKYSNGNIKKLLFHQ

3D structure

PDB

6el9 Discovery of a Novel Oral Glucocorticoid Receptor Modulator (AZD9567) with Improved Side Effect Profile.

Chain

Resolution

2.19 Å

3D
structure

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Enzymatic activity

Enzyme Commision number

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	peptide	A	V575 K579 R585 L589 M593 Q597 E751 M752 E755 N759	V46 K50 R56 L60 M64 Q68 E222 M223 E226 N230
BS02	B9W	A	L563 N564 L566 G567 Q570 W600 M604 A607 R611 F623 Q642 M646 C736 L753	L34 N35 L37 G38 Q41 W71 M75 A78 R82 F94 Q113 M117 C207 L224	MOAD: ic50=3.8nM BindingDB: EC50=11nM,IC50=158nM

External links

PDB	RCSB:6el9, PDBe:6el9, PDBj:6el9
PDBsum	6el9
PubMed	29424542
UniProt	P04150\|GCR_HUMAN Glucocorticoid receptor (Gene Name=NR3C1)

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