9SAI

Ternary PROTAC-mediated complex consisting of Cereblon, DDB1 and BRD4-BD1, non-covalently linked by JQ1-AcN

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)	Protein cereblon	polymer	442	50559.6	1	UniProt (Q96SW2) Pfam (PF02190) Pfam (PF03226)	Homo sapiens (human)
2	B (A)	DNA damage-binding protein 1	polymer	836	93347.1	1	UniProt (Q16531) Pfam (PF10433) Pfam (PF03178)	Homo sapiens (human)	DDB p127 subunit,DNA damage-binding protein a,DDBa,Damage-specific DNA-binding protein 1,HBV X-associated protein 1,XAP-1,UV-damaged DNA-binding factor,UV-damaged DNA-binding protein 1,UV-DDB 1,XPE-binding factor,XPE-BF,Xeroderma pigmentosum group E-complementing protein,XPCe
3	C (C)	Bromodomain-containing protein 4	polymer	127	15099.4	1	UniProt (O60885) Pfam (PF00439)	Homo sapiens (human)	Protein HUNK1
4	D (B)	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
5	E (B)	N-[(2S)-1-[[(3S)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]amino]-1-oxidanylidene-propan-2-yl]-9-[2-[(9S)-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]ethanoylamino]nonanamide	non-polymer		723.3	1	Chemie (A1JM3)

Sequence modifications

B: 2 - 442 (UniProt: Q96SW2)

PDB	External Database	Details
Ser 1	-	expression tag

A: 1 - 697 (UniProt: Q16531)
A: 704 - 1138 (UniProt: Q16531)

PDB	External Database	Details
Gly 698	-	linker
Asn 699	-	linker
Gly 700	-	linker
Asn 701	-	linker
Ser 702	-	linker
Gly 703	-	linker

C: 44 - 168 (UniProt: O60885)

PDB	External Database	Details
Ser 42	-	expression tag
Met 43	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	159006.0
Non-Polymers*	Number of molecules	2
	Total formula weight	788.7
All*	Total formula weight	159794.7

*Water molecules are not included.