7BEK

Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-158 Fab (crystal form 2)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (H)	COVOX-158 heavy chain	polymer	222	23402.2	1		Homo sapiens
2	B (L)	COVOX-158 light chain	polymer	214	23400.0	1		Homo sapiens
3	C (E)	Spike glycoprotein	polymer	205	23150.9	1	UniProt (P0DTC2) Pfam (PF09408)	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV)	S glycoprotein,E2,Peplomer protein
4	D (A)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		570.5	1	In PDB GlyTouCan (G21290RB)
5	E, K, R (H, L, E)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	3	Chemie (PEG)
6	F, L, Q (H, L, E)	GLYCEROL	non-polymer		92.1	3	Chemie (GOL)
7	G, M (H, L)	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
8	H, I, J, N, O... (H, L, E)	CHLORIDE ION	non-polymer		35.5	6	Chemie (CL)
9	P (E)	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	non-polymer		122.1	1	Chemie (TRS)
10	T, U, V (H, L, E)	water	water		18.0	278	Chemie (HOH)

Sequence modifications

E: 333 - 528 (UniProt: P0DTC2)

PDB	External Database	Details
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
Lys 527	Pro 527	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	69953.2
Branched	Number of molecules	1
	Total formula weight	570.5
Non-Polymers*	Number of molecules	15
	Total formula weight	1121.6
All*	Total formula weight	71645.3

*Water molecules are not included.