4MDD

Crystal Structure of the Glucocorticoid Receptor Bound to a Non-steroidal Antagonist Reveals Repositioning and Partial Disordering of Activation Function Helix 12

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Glucocorticoid receptor	polymer	258	29667.3	2	UniProt (P04150) Pfam (PF00104) In PDB	Homo sapiens (human)	GR, Nuclear receptor subfamily 3 group C member 1
2	C, D	Nuclear receptor corepressor 1	polymer	15	1631.9	2	UniProt (O75376) In PDB	Homo sapiens	N-CoR, N-CoR1
3	A, B	N-[2-{[benzyl(methyl)amino]methyl}-3-(4-fluoro-2-methoxyphenyl)-5-(propan-2-yl)-1H-indol-7-yl]methanesulfonamide	non-polymer		509.6	2	Chemie (29M)
4		water	water		18.0	112	Chemie (HOH)

Sequence modifications

A, B: 522 - 777 (UniProt: P04150)

PDB	External Database	Details
Ser 520	-	expression tag
Ser 521	-	expression tag
Ser 525	Leu 525	engineered mutation
Ser 528	Leu 528	engineered mutation
Ala 535	Leu 535	engineered mutation
Thr 538	Val 538	engineered mutation
Tyr 602	Phe 602	engineered mutation
Asp 638	Cys 638	engineered mutation
Ala 684	Glu 684	engineered mutation
Ala 688	Glu 688	engineered mutation
Ser 712	Trp 712	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	62598.5
Non-Polymers*	Number of molecules	2
	Total formula weight	1019.3
All*	Total formula weight	63617.8

*Water molecules are not included.