Structure of PDB 6el7 Chain A

Receptor sequence
>6el7A (length=247) Species: 9606 (Homo sapiens) [Search protein sequence]
PTLVSLLEVIEPEVLYAGYDSSVPDSTWRIMTTLNMLGGRQMIAAVKWAK
AIPGFRNLHLDDQMTLLQYSWMSLMAFALGWRSYRQSSANLLCFAPDLII
NEQRMTLPDMYDQCKHMLYVSSELHRLQVSYEEYLCMKTLLLLSSVPKDG
LKSQALFDEIRMTYIKELGKAIVKREGNSSQNSQRFYQLTKLLDSMHEVV
ENLLNYCFQTFLDKTMSIEFPEMLAEIITNQIPKYSNGNIKKLLFHQ
3D structure
PDB6el7 Discovery of a Novel Oral Glucocorticoid Receptor Modulator (AZD9567) with Improved Side Effect Profile.
ChainA
Resolution2.18 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 B9T A M560 L563 N564 L566 G567 Q570 M601 M604 F623 M639 Q642 C643 C736 T739 M31 L34 N35 L37 G38 Q41 M72 M75 F94 M110 Q113 C114 C207 T210 BindingDB: EC50=6.4nM,IC50=2.4nM
External links
PDB RCSB:6el7, PDBe:6el7, PDBj:6el7
PDBsum6el7
PubMed29424542
UniProtP04150|GCR_HUMAN Glucocorticoid receptor (Gene Name=NR3C1)

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