4DM6

Crystal structure of RARb LBD homodimer in complex with TTNPB

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Retinoic acid receptor beta	polymer	267	30179.0	2	UniProt (P10826) Pfam (PF00104)	Homo sapiens (human)	RAR-beta, HBV-activated protein, Nuclear receptor subfamily 1 group B member 2, RAR-epsilon
2	C, D (E, F)	Nuclear receptor coactivator 1	polymer	25	2806.2	2	UniProt (Q15788) Pfam (PF08832)	Homo sapiens	NCoA-1, Class E basic helix-loop-helix protein 74, bHLHe74, Protein Hin-2, RIP160, Renal carcinoma antigen NY-REN-52, Steroid receptor coactivator 1, SRC-1
3	E, F (A, B)	4-[(1E)-2-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)PROP-1-ENYL]BENZOIC ACID	non-polymer		348.5	2	Chemie (TTB)
4	G, H, I (A, B, F)	water	water		18.0	178	Chemie (HOH)

Sequence modifications

A, B: 178 - 423 (UniProt: P10826)

PDB	External Database	Details
Met 157	-	initiating methionine
Gly 158	-	expression tag
Ser 159	-	expression tag
Ser 160	-	expression tag
His 161	-	expression tag
His 162	-	expression tag
His 163	-	expression tag
His 164	-	expression tag
His 165	-	expression tag
His 166	-	expression tag
Ser 167	-	expression tag
Ser 168	-	expression tag
Gly 169	-	expression tag
Leu 170	-	expression tag
Val 171	-	expression tag
Pro 172	-	expression tag
Arg 173	-	expression tag
Gly 174	-	expression tag
Ser 175	-	expression tag
His 176	-	expression tag
Met 177	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	65970.2
Non-Polymers*	Number of molecules	2
	Total formula weight	697.0
All*	Total formula weight	66667.2

*Water molecules are not included.