8GZ5

Crystal structure of neutralizing VHH P17 in complex with SARS-CoV-2 Alpha variant spike receptor-binding domain

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Spike protein S1	polymer	206	23373.2	1	UniProt (P0DTC2) Pfam (PF09408)	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV SARS-CoV-2)
2	B (B)	Nanobody P17	polymer	126	13574.0	1		Vicugna pacos
3	C (C)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		570.5	1	In PDB GlyTouCan (G21290RB)
4	D, E, F, G, H... (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	12	Chemie (EDO)
5	P, Q (A, B)	water	water		18.0	382	Chemie (HOH)

Sequence modifications

A: 333 - 530 (UniProt: P0DTC2)

PDB	External Database	Details
Tyr 501	Asn 501	variant
His 531	-	expression tag
His 532	-	expression tag
His 533	-	expression tag
His 534	-	expression tag
His 535	-	expression tag
His 536	-	expression tag
His 537	-	expression tag
His 538	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	36947.2
Branched	Number of molecules	1
	Total formula weight	570.5
Non-Polymers*	Number of molecules	12
	Total formula weight	744.8
All*	Total formula weight	38262.6

*Water molecules are not included.