29QL

FKBP12 in complex with bifunctional ligand a1d and the second 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	130	15060.3	2	UniProt (O60885)	Homo sapiens (human)	Protein HUNK1
2	C, D (C, D)	Peptidyl-prolyl cis-trans isomerase FKBP1A	polymer	107	11832.5	2	UniProt (P62942)	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, G (A, B)	6-tungstotellurate(VI)	non-polymer		1614.6	3	Chemie (TEW)
4	H, J (C, D)	~{N}-[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]methoxymethyl]-1,2,3-triazol-1-yl]ethoxy]ethyl]-2-[(9~{S})-7-(4-chlorophenyl)-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]ethanamide	non-polymer		1035.5	2	Chemie (A1JAZ)
5	I (D)	2-(N-MORPHOLINO)-ETHANESULFONIC ACID	non-polymer		195.2	1	Chemie (MES) PubChem (4478249)
6	K, L, M, N (A, B, C, D)	water	water		18.0	148	Chemie (HOH)

Sequence modifications

A, B: 333 - 460 (UniProt: O60885)

PDB	External Database	Details
Ser 331	-	expression tag
Met 332	-	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	53785.7
Non-Polymers*	Number of molecules	6
	Total formula weight	7110.0
All*	Total formula weight	60895.7

*Water molecules are not included.