36XC

NNVL bound to inhibitor compound 112 (YT-IV-239B)

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, B, C, E, F... (A, B, C, D, E...)	Ubiquitin-like domain-containing protein,Nuclear valosin-containing protein-like	polymer	714	78581.2	6	UniProt (A0AAV8R7V6) UniProt (O15381)	Homo sapiens (human)	NVLp,Nuclear VCP-like protein
2	D (G)	Ply-histidine substrate mimic	polymer	24	3333.5	1		Homo sapiens
3	H, I, L, M, P... (A, B, C, D)	MAGNESIUM ION	non-polymer		24.3	8	Chemie (MG) PubChem (888)
4	J, K, N, O, R... (A, B, C, D, E)	ADENOSINE-5'-TRIPHOSPHATE	non-polymer		507.2	9	Chemie (ATP)
5	Y (E)	ADENOSINE-5'-DIPHOSPHATE	non-polymer		427.2	1	Chemie (ADP)
6	Z (E)	N-[(11S)-5-(but-2-yn-1-yl)-11-methyl-6-oxo-6,11-dihydro-5H-dibenzo[b,e]azepin-2-yl]-4-methoxybenzamide	non-polymer		424.5	1	Chemie (A1DMC)

Sequence modifications

A, B, C, D, E, F: 169 - 248 (UniProt: A0AAV8R7V6)

PDB	External Database	Details
Met 143	-	initiating methionine
Ser 144	-	expression tag
Lys 145	-	expression tag
His 146	-	expression tag
His 147	-	expression tag
His 148	-	expression tag
His 149	-	expression tag
Ser 150	-	expression tag
Gly 151	-	expression tag
His 152	-	expression tag
His 153	-	expression tag
His 154	-	expression tag
Thr 155	-	expression tag
Gly 156	-	expression tag
His 157	-	expression tag
His 158	-	expression tag
His 159	-	expression tag
His 160	-	expression tag
Ser 161	-	expression tag
Gly 162	-	expression tag
Ser 163	-	expression tag
His 164	-	expression tag
His 165	-	expression tag
His 166	-	expression tag
Thr 167	-	expression tag
Gly 168	-	expression tag
Asp 225	Glu 134	conflict
Ser 244	Gly 153	conflict
Gly 245	Cys 154	conflict
Ser 249	-	linker
Gly 250	-	linker
Gly 251	-	linker
Ser 252	-	linker

A, B, C, D, E, F: 253 - 856 (UniProt: O15381)

PDB	External Database	Details
Gln 365	Glu 365	conflict
Gln 682	Glu 682	conflict

Contents of the asymmetric unit

Polymers	Number of chains	7
	Total formula weight	474821.0
Non-Polymers*	Number of molecules	19
	Total formula weight	5610.8
All*	Total formula weight	480431.8

*Water molecules are not included.