7BEN

Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in a ternary complex with COVOX-253 and COVOX-75 Fabs

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	E, C	Spike glycoprotein	polymer	205	23150.9	2	UniProt (P0DTC2) Pfam (PF09408) In PDB	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV)	S glycoprotein,E2,Peplomer protein
2	H, D	COVOX-253 heavy chain	polymer	228	24371.4	2		Homo sapiens
3	L, F	COVOX-253 light chain	polymer	215	23256.6	2		Homo sapiens
4	A, G	COVOX-75 heavy chain	polymer	232	24821.8	2		Homo sapiens
5	B, I	COVOX-75 light chain	polymer	214	23244.9	2		Homo sapiens
6	J, K	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		570.5	2	In PDB GlyTouCan (G21290RB)
7	F, I, E, B	IMIDAZOLE	non-polymer		69.1	4	Chemie (IMD)
8	F, E, B	GLYCEROL	non-polymer		92.1	5	Chemie (GOL)
9	G, I, H, A, B...	BROMIDE ION	non-polymer		79.9	14	Chemie (BR)
10	F, L	1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE	non-polymer		266.3	2	Chemie (PG6)
11	G	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	2	Chemie (PEG)
12	G	IODIDE ION	non-polymer		126.9	1	Chemie (IOD)
13		water	water		18.0	233	Chemie (HOH)

Sequence modifications

E, C: 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	10
	Total formula weight	237691.3
Branched	Number of molecules	2
	Total formula weight	1141.1
Non-Polymers*	Number of molecules	28
	Total formula weight	2727.3
All*	Total formula weight	241559.6

*Water molecules are not included.