7PS2

Crystal structure of the receptor binding domain of SARS-CoV-2 beta variant spike glycoprotein in complex with Beta-29 and Beta-53 Fabs

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (B)	Beta-29 Fab light chain	polymer	221	24309.9	1		Homo sapiens (Human)
2	B (G)	Spike protein S1	polymer	210	23646.6	1	UniProt (P0DTC2) Pfam (PF09408)	Severe acute respiratory syndrome coronavirus 2
3	C (A)	Beta-29 Fab heavy chain	polymer	232	24706.8	1		Homo sapiens (Human)
4	D (H)	Beta-53 heavy chain	polymer	226	24215.1	1		Homo sapiens (Human)
5	E (L)	Beta-53 Fab light chain	polymer	215	23494.0	1		Homo sapiens (Human)
6	F (E)	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		732.7	1	In PDB GlyTouCan (G32152BH)
7	G, I (B, G)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
8	H, K, L, M, N... (B, G, A, H, L)	SULFATE ION	non-polymer		96.1	14	Chemie (SO4)
9	J (G)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)

Sequence modifications

G: 333 - 526 (UniProt: P0DTC2)

PDB	External Database	Details
Met 319	-	initiating methionine
Gly 320	-	expression tag
Cys 321	-	expression tag
Val 322	-	expression tag
Ala 323	-	expression tag
Glu 324	-	expression tag
Thr 325	-	expression tag
Gly 326	-	expression tag
His 327	-	expression tag
His 328	-	expression tag
His 329	-	expression tag
His 330	-	expression tag
His 331	-	expression tag
His 332	-	expression tag
Asn 417	Lys 417	variant
Lys 484	Glu 484	variant
Tyr 501	Asn 501	variant
Lys 527	-	expression tag
Lys 528	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	120372.3
Branched	Number of molecules	1
	Total formula weight	732.7
Non-Polymers*	Number of molecules	17
	Total formula weight	1635.2
All*	Total formula weight	122740.2

*Water molecules are not included.