9YR6

Structure of HTTQ23-HAP40 complex bound to a small molecule ligand

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 (A)	Huntingtin	polymer	3156	349472.3	1	UniProt (P42858) Pfam (PF20926) Pfam (PF20925) Pfam (PF20927)	Homo sapiens (human)	Huntington disease protein,HD protein
2	B (B)	40-kDa huntingtin-associated protein	polymer	389	41342.3	1	UniProt (P23610)	Homo sapiens (human)	HAP40,CpG island protein,Factor VIII intron 22 protein
3	C (A)	2-[(1R)-2,2-difluorocyclopropyl]-N-[(1-methyl-1H-indazol-6-yl)methyl]aniline	non-polymer		313.3	1	Chemie (A1CYY)

Sequence modifications

A: 1 - 3144 (UniProt: P42858)

PDB	External Database	Details
Gln 39	-	insertion
Gln 40	-	insertion
His 2311	Tyr 2309	conflict
Ile 2788	Val 2786	conflict
Gly 3145	-	expression tag
Gly 3146	-	expression tag
Ser 3147	-	expression tag
Gly 3148	-	expression tag
Asp 3149	-	expression tag
Tyr 3150	-	expression tag
Lys 3151	-	expression tag
Asp 3152	-	expression tag
Asp 3153	-	expression tag
Asp 3154	-	expression tag
Asp 3155	-	expression tag
Lys 3156	-	expression tag

B: 1 - 371 (UniProt: P23610)

PDB	External Database	Details
Met -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
Ser -9	-	expression tag
Gly -8	-	expression tag
Arg -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

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	390814.6
Non-Polymers*	Number of molecules	1
	Total formula weight	313.3
All*	Total formula weight	391127.9

*Water molecules are not included.