8UVP

Human p97/VCP R155H mutant structure with a triazole inhibitor (NSC819701/up)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D, E... (A, B, C, D, E...)	Transitional endoplasmic reticulum ATPase	polymer	806	89417.8	6	UniProt (P55072) Pfam (PF02359) Pfam (PF02933) Pfam (PF00004) Pfam (PF17862)	Homo sapiens (human)	TER ATPase,15S Mg(2+)-ATPase p97 subunit,Valosin-containing protein,VCP
2	G, H, J, K, M... (A, B, C, D, E...)	ADENOSINE-5'-DIPHOSPHATE	non-polymer		427.2	12	Chemie (ADP)
3	I, L, O, R, U... (A, B, C, D, E...)	2-[(4P)-4-(4-{[(4P)-5-(cyclohexylsulfanyl)-4-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]methoxy}-2,5-difluorophenyl)-2H-1,2,3-triazol-2-yl]-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethan-1-one	non-polymer		624.7	6	Chemie (XO8)

Sequence modifications

A, B, C, D, E, F: 1 - 806 (UniProt: P55072)

PDB	External Database	Details
His 155	Arg 155	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	536506.6
Non-Polymers*	Number of molecules	18
	Total formula weight	8874.6
All*	Total formula weight	545381.3

*Water molecules are not included.