8S0M

Crystal structure of the HKU1 receptor binding domain in complex with TMPRSS2 and the nanobody A01

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (B, E)	Transmembrane protease serine 2	polymer	395	43678.2	2	UniProt (O15393) Pfam (PF15494) Pfam (PF00089)	Homo sapiens (human)	Serine protease 10
2	C, F (U, V)	Nanobody A01	polymer	136	14961.5	2		Vicugna pacos
3	D, E (A, D)	Spike protein S1	polymer	366	40835.7	2	UniProt (Q0ZME7) Pfam (PF09408) Pfam (PF19209)	Human coronavirus HKU1 (isolate N5)
4	G (F)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	1	In PDB GlyTouCan (G42666HT)
5	H, I, J, M (B, A, D)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	4	Chemie (NAG)
6	K, L (A, D)	PHOSPHATE ION	non-polymer		95.0	2	Chemie (PO4)
7	N (U)	water	water		18.0	1	Chemie (HOH)

Sequence modifications

B, E: 107 - 492 (UniProt: O15393)

PDB	External Database	Details
Ala 441	Ser 441	engineered mutation
Gly 493	-	expression tag
Pro 494	-	expression tag
Phe 495	-	expression tag
Glu 496	-	expression tag
Asp 497	-	expression tag
Asp 498	-	expression tag
Asp 499	-	expression tag
Asp 500	-	expression tag
Lys 501	-	expression tag

A, D: 1 - 366 (UniProt: Q0ZME7)

PDB	External Database	Details
Val 333	Ala 639	conflict

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	198950.7
Branched	Number of molecules	1
	Total formula weight	424.4
Non-Polymers*	Number of molecules	6
	Total formula weight	1074.8
All*	Total formula weight	200449.9

*Water molecules are not included.