7Q0G

Crystal structure of the receptor binding domain of SARS-CoV-2 beta variant spike glycoprotein in complex with Beta-49 and FI-3A Fabs

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	E	Spike protein S1	polymer	210	23646.6	1	UniProt (P0DTC2) Pfam (PF09408) In PDB	Severe acute respiratory syndrome coronavirus 2
2	H	FI-3A Fab heavy chain	polymer	222	23521.4	1		Homo sapiens
3	L	FI-3A Fab light chain	polymer	214	23364.8	1		Homo sapiens
4	B	Beta-49 Fab light chain	polymer	216	23566.1	1		Homo sapiens
5	A	Beta-49 Fab heavy chain	polymer	223	23431.4	1		Homo sapiens
6	C	alpha-D-mannopyranose-(1-3)-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		894.8	1	In PDB GlyTouCan (G42466VF)
7	L, E, B, H, A	GLYCEROL	non-polymer		92.1	13	Chemie (GOL)
8	L, E, B, A, H	CHLORIDE ION	non-polymer		35.5	14	Chemie (CL)
9	L, E, B, H, A	POTASSIUM ION	non-polymer		39.1	14	Chemie (K)
10	A, H	D(-)-TARTARIC ACID	non-polymer		150.1	3	Chemie (TAR)
11		water	water		18.0	317	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	117530.4
Branched	Number of molecules	1
	Total formula weight	894.8
Non-Polymers*	Number of molecules	44
	Total formula weight	2691.2
All*	Total formula weight	121116.4

*Water molecules are not included.