8FRI

LSD1-CoREST in complex with AW4, short soaking

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Lysine-specific histone demethylase 1A	polymer	871	95051.6	1	UniProt (O60341) Pfam (PF04433) Pfam (PF01593)	Homo sapiens (human)	BRAF35-HDAC complex protein BHC110,Flavin-containing amine oxidase domain-containing protein 2,[histone H3]-dimethyl-L-lysine(4) FAD-dependent demethylase 1A
2	B (B)	REST corepressor 1	polymer	144	16459.7	1	UniProt (Q9UKL0) Pfam (PF20878) Pfam (PF00249)	Homo sapiens (human)	Protein CoREST
3	C (A)	[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(1R,3S,3aS,13R)-1-hydroxy-10,11-dimethyl-4,6-dioxo-3-([1~1~,2~1~:2~3~,3~1~-terphenyl]-1~4~-yl)-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]pentyl dihydrogen diphosphate (non-preferred name)	non-polymer		1071.9	1	Chemie (Y9K)

Sequence modifications

A: 1 - 852 (UniProt: O60341)

PDB	External Database	Details
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag

B: 305 - 440 (UniProt: Q9UKL0)

PDB	External Database	Details
Gly 297	-	expression tag
Pro 298	-	expression tag
Leu 299	-	expression tag
Gly 300	-	expression tag
Ser 301	-	expression tag
Pro 302	-	expression tag
Glu 303	-	expression tag
Phe 304	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	111511.4
Non-Polymers*	Number of molecules	1
	Total formula weight	1071.9
All*	Total formula weight	112583.3

*Water molecules are not included.