6BN7

Crystal structure of DDB1-CRBN-BRD4(BD1) complex bound to dBET23 PROTAC.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	DNA damage-binding protein 1	polymer	864	96425.6	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,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
2	B (B)	Protein cereblon	polymer	463	53005.2	1	UniProt (Q96SW2) Pfam (PF02190) Pfam (PF03226)	Homo sapiens (Human)
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)	methyl {(6S)-4-(4-chlorophenyl)-2-[(8-{[({2-[(3S)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}oxy)acetyl]amino}octyl)carbamoyl]-3,9-dimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl}acetate	non-polymer		885.4	1	Chemie (RN3)

Sequence modifications

A: 1 - 699 (UniProt: Q16531)

PDB	External Database	Details
Met -27	-	initiating methionine
Gly -26	-	expression tag
Ser -25	-	expression tag
Ser -24	-	expression tag
His -23	-	expression tag
His -22	-	expression tag
His -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
Ser -17	-	expression tag
Ala -16	-	expression tag
Ala -15	-	expression tag
His -14	-	expression tag
Ile -13	-	expression tag
Val -12	-	expression tag
Met -11	-	expression tag
Val -10	-	expression tag
Asp -9	-	expression tag
Ala -8	-	expression tag
Tyr -7	-	expression tag
Lys -6	-	expression tag
Pro -5	-	expression tag
Thr -4	-	expression tag
Lys -3	-	expression tag
Gly -2	-	expression tag
Gly -1	-	expression tag
Arg 0	-	expression tag

A: 706 - 1140 (UniProt: Q16531)

PDB	External Database	Details
Gly 700	-	linker
Asn 701	-	linker
Gly 702	-	linker
Asn 703	-	linker
Ser 704	-	linker
Gly 705	-	linker

B: 2 - 442 (UniProt: Q96SW2)

PDB	External Database	Details
Met -20	-	initiating methionine
Gly -19	-	expression tag
Ser -18	-	expression tag
Ser -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
Ser -10	-	expression tag
Ala -9	-	expression tag
Val -8	-	expression tag
Asp -7	-	expression tag
Glu -6	-	expression tag
Asn -5	-	expression tag
Leu -4	-	expression tag
Tyr -3	-	expression tag
Phe -2	-	expression tag
Gln -1	-	expression tag
Gly 0	-	expression tag
Gly 1	-	expression tag

C: 42 - 168 (UniProt: O60885)

PDB	External Database	Details
Met 43	Thr 43	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	164530.2
Non-Polymers*	Number of molecules	2
	Total formula weight	950.8
All*	Total formula weight	165481.0

*Water molecules are not included.