9I2C

Cryo-EM structure of KBTBD4 WT-HDAC2-CoREST1 2:1:1 complex mediated by molecular glue UM171

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 (A, C)	Isoform 1 of Kelch repeat and BTB domain-containing protein 4	polymer	518	58208.7	2	UniProt (Q9NVX7) Pfam (PF00651) Pfam (PF07707) Pfam (PF07646)	Homo sapiens (human)	BTB and kelch domain-containing protein 4
2	B (B)	Histone deacetylase 2	polymer	488	55443.2	1	UniProt (Q92769) Pfam (PF00850)	Homo sapiens (human)	HD2,Protein deacylase HDAC2
3	D (D)	REST corepressor 1	polymer	190	22231.7	1	UniProt (Q9UKL0) Pfam (PF01448) Pfam (PF00249)	Homo sapiens (human)	Protein CoREST
4	E (B)	(1r,4r)-N~1~-[(7P)-2-benzyl-7-(2-methyl-2H-tetrazol-5-yl)-9H-pyrimido[4,5-b]indol-4-yl]cyclohexane-1,4-diamine	non-polymer		453.5	1	Chemie (A1ACV)
5	F (B)	ZINC ION	non-polymer		65.4	1	Chemie (ZN)

Sequence modifications

D: 86 - 248 (UniProt: Q9UKL0)

PDB	External Database	Details
Met 85	-	initiating methionine
Ala 249	-	expression tag
Glu 250	-	expression tag
Asn 251	-	expression tag
Leu 252	-	expression tag
Tyr 253	-	expression tag
Phe 254	-	expression tag
Gln 255	-	expression tag
Ser 256	-	expression tag
His 257	-	expression tag
His 258	-	expression tag
His 259	-	expression tag
His 260	-	expression tag
His 261	-	expression tag
His 262	-	expression tag
His 263	-	expression tag
His 264	-	expression tag
His 265	-	expression tag
His 266	-	expression tag
Asp 267	-	expression tag
Tyr 268	-	expression tag
Lys 269	-	expression tag
Asp 270	-	expression tag
Asp 271	-	expression tag
Asp 272	-	expression tag
Asp 273	-	expression tag
Lys 274	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	194092.3
Non-Polymers*	Number of molecules	2
	Total formula weight	519.0
All*	Total formula weight	194611.3

*Water molecules are not included.