8RQ9

Crystal structure of PROTAC CFT-1297 in complex with CRBN-midi and BRD4(BD2)

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, C	Protein cereblon	polymer	329	37478.8	2	UniProt (Q96SW2) In PDB	Homo sapiens (human)
2	B, D	Bromodomain-containing protein 4	polymer	130	15060.3	2	UniProt (O60885) In PDB	Homo sapiens (human)	Protein HUNK1
3	A, C	(3~{S})-3-[7-[1-[7-[4-[6-(4-chlorophenyl)-1-methyl-spiro[[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-4,1'-cyclopropane]-8-yl]pyrazol-1-yl]heptyl]piperidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]piperidine-2,6-dione	non-polymer		824.4	2	Chemie (A1H2F)
4	A, C	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
5		water	water		18.0	31	Chemie (HOH)

Sequence modifications

A, C: 41 - 187 (UniProt: Q96SW2)

PDB	External Database	Details
Ser 40	-	expression tag
Ile 78	Cys 78	engineered mutation
Val 92	Ile 92	engineered mutation
Asn 116	Lys 116	engineered mutation
Glu 134	Gln 134	engineered mutation

A, C: 249 - 426 (UniProt: Q96SW2)

PDB	External Database	Details
Gly 188	-	linker
Ser 189	-	linker
Gly 190	-	linker
Trp 283	Arg 283	engineered mutation
Asn 287	Cys 287	engineered mutation
Ser 293	Val 293	engineered mutation
Asp 302	Gly 302	engineered mutation
Arg 342	Leu 342	engineered mutation
Glu 343	Cys 343	engineered mutation
Ile 359	Thr 359	engineered mutation
Ile 423	Leu 423	engineered mutation

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

PDB	External Database	Details
Ser 331	-	expression tag
Met 332	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	105078.3
Non-Polymers*	Number of molecules	4
	Total formula weight	1779.6
All*	Total formula weight	106857.9

*Water molecules are not included.