9TVT

CRYSTAL STRUCTURE OF SARS-COV-2 RECEPTOR BINDING DOMAIN (RBD-beta variant) in complex with 3D2 Fab and 1D1 Fab

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Spike protein S1	polymer	231	26129.4	2	UniProt (P0DTC2) Pfam (PF09408)	Severe acute respiratory syndrome coronavirus 2
2	C, G (C, H)	1D1 FAB HEAVY CHAIN	polymer	221	23324.3	2		Homo sapiens
3	D, J (D, L)	1D1 FAB LIGHT CHAIN	polymer	214	23446.0	2		Homo sapiens
4	E, H (E, I)	3D2 FAB HEAVY CHAIN	polymer	231	24568.5	2		Homo sapiens
5	F, I (F, J)	3D2 FAB LIGHT CHAIN	polymer	216	22861.3	2		Homo sapiens
6	K (M)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	1	In PDB GlyTouCan (G42666HT)
7	L (B)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	1	Chemie (NAG) PubChem (24139)
8	M (J)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL) PubChem (753)
9	N, O, P, Q, R... (A, B, C, D, E...)	water	water		18.0	28	Chemie (HOH)

Sequence modifications

A, B: 319 - 541 (UniProt: P0DTC2)

PDB	External Database	Details
Asn 417	Lys 417	engineered mutation
Lys 484	Glu 484	engineered mutation
Tyr 501	Asn 501	engineered mutation
Ser 542	-	expression tag
Gly 543	-	expression tag
His 544	-	expression tag
His 545	-	expression tag
His 546	-	expression tag
His 547	-	expression tag
His 548	-	expression tag
His 549	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	10
	Total formula weight	240658.9
Branched	Number of molecules	1
	Total formula weight	424.4
Non-Polymers*	Number of molecules	2
	Total formula weight	313.3
All*	Total formula weight	241396.6

*Water molecules are not included.