9H8R

Crystal structure of Nkp46 in complex with a bicyclic peptide BCY00016132

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Natural cytotoxicity triggering receptor 1	polymer	201	23025.2	1	UniProt (O76036)	Homo sapiens (human)	Lymphocyte antigen 94 homolog,NK cell-activating receptor,Natural killer cell p46-related protein,NK-p46,NKp46,hNKp46
2	B (B)	Bicyclic peptide BCY00016132	polymer	16	1722.9	1		synthetic construct
3	C (A)	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
4	D (A)	2-AMINO-ETHANETHIOL	non-polymer		77.1	1	Chemie (DHL)
5	E (B)	1-[3,5-bis(3-bromanylpropanoyl)-1,3,5-triazinan-1-yl]-3-bromanyl-propan-1-one	non-polymer		492.0	1	Chemie (LFI)
6	F, G (A, B)	water	water		18.0	160	Chemie (HOH)

Sequence modifications

A: 22 - 213 (UniProt: O76036)

PDB	External Database	Details
Met 21	-	initiating methionine
Lys 82	Gln 82	conflict
Leu 214	-	expression tag
Glu 215	-	expression tag
His 216	-	expression tag
His 217	-	expression tag
His 218	-	expression tag
His 219	-	expression tag
His 220	-	expression tag
His 221	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	24748.2
Non-Polymers*	Number of molecules	3
	Total formula weight	631.2
All*	Total formula weight	25379.4

*Water molecules are not included.