9R5N

FKBP12 in complex with binfunctional ligand b3c and the first bromodomain of BRD4

This is a non-PDB format compatible entry.

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)	Bromodomain-containing protein 4	polymer	127	15099.4	2	UniProt (O60885) Pfam (PF00439)	Homo sapiens (human)	Protein HUNK1
2	C, D (C, D)	Peptidyl-prolyl cis-trans isomerase FKBP1A	polymer	107	11832.5	2	UniProt (P62942) Pfam (PF00254)	Homo sapiens (human)	PPIase FKBP1A,12 kDa FK506-binding protein,12 kDa FKBP,FKBP-12,Calstabin-1,FK506-binding protein 1A,FKBP-1A,Immunophilin FKBP12,Rotamase
3	E, F (A, B)	~{tert}-butyl 2-[(9~{S})-7-[4-[3-[2-[2-[4-[(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-2-oxidanylidene-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-5-yl]-1,2,3-triazol-1-yl]ethoxy]ethanoylamino]prop-1-ynyl]phenyl]-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoate	non-polymer		1081.1	2	Chemie (A1JCU)

Sequence modifications

A, B: 2 - 126 (UniProt: O60885)

PDB	External Database	Details
Ser 0	-	expression tag
Met 1	-	expression tag

C, D: 1 - 107 (UniProt: P62942)

PDB	External Database	Details
Val 22	Cys 23	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	53863.8
Non-Polymers*	Number of molecules	2
	Total formula weight	2162.2
All*	Total formula weight	56025.9

*Water molecules are not included.