7PS6

Crystal structure of the receptor binding domain of SARS-CoV-2 beta variant spike glycoprotein in complex with Beta-44 and Beta-54 Fabs

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	H	Beta-54 Fab heavy chain	polymer	231	24547.5	1		Homo sapiens (Human)
2	L	Beta-54 Fab light chain	polymer	214	23264.9	1		Homo sapiens (Human)
3	E	Spike protein S1	polymer	210	23646.6	1	UniProt (P0DTC2) Pfam (PF09408) In PDB	Severe acute respiratory syndrome coronavirus 2
4	C	Beta-44 Fab heavy chain	polymer	224	23907.8	1		Homo sapiens (Human)
5	D	Beta-44 Fab light chain	polymer	218	22938.3	1		Homo sapiens (Human)
6	A	alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		367.3	1	In PDB GlyTouCan (G86851RC)
7	H	2-(2-METHOXYETHOXY)ETHANOL	non-polymer		120.1	1	Chemie (PG0)
8	E, D	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
9	C	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	2	Chemie (PEG)
10	C	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
11		water	water		18.0	53	Chemie (HOH)

Sequence modifications

E: 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	118305.0
Branched	Number of molecules	1
	Total formula weight	367.3
Non-Polymers*	Number of molecules	6
	Total formula weight	552.0
All*	Total formula weight	119224.4

*Water molecules are not included.