7S83

Crystal structure of SARS CoV-2 Spike Receptor Binding Domain in complex with shark neutralizing VNARs ShAb01 and ShAb02

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	B	ShAb02 VNAR	polymer	128	14343.7	1		Ginglymostoma cirratum (nurse shark)
2	C	Spike protein S1	polymer	205	23073.8	1	UniProt (P0DTC2) Pfam (PF09408) In PDB	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV SARS-CoV-2)
3	A	ShAb01 VNAR	polymer	131	14900.4	1		Ginglymostoma cirratum (nurse shark)
4	D	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	C	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
6		water	water		18.0	45	Chemie (HOH)

Sequence modifications

C: 331 - 527 (UniProt: P0DTC2)

PDB	External Database	Details
Gly 528	-	expression tag
Ser 529	-	expression tag
His 530	-	expression tag
His 531	-	expression tag
His 532	-	expression tag
His 533	-	expression tag
His 534	-	expression tag
His 535	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	52317.9
Branched	Number of molecules	1
	Total formula weight	424.4
Non-Polymers*	Number of molecules	1
	Total formula weight	92.1
All*	Total formula weight	52834.4

*Water molecules are not included.