7NX8

Crystal structure of the K417T mutant receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-222 and EY6A Fabs

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	H	EY6A Fab heavy chain	polymer	226	24346.3	1		Homo sapiens
2	L	EY6A Fab light chain	polymer	215	23315.9	1		Homo sapiens
3	E	Spike protein S1	polymer	205	23122.8	1	UniProt (P0DTC2) Pfam (PF09408) In PDB	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV SARS-CoV-2)
4	A	COVOX-222 Fab heavy chain	polymer	224	23461.2	1		Homo sapiens
5	B	COVOX-222 Fab light chain	polymer	214	23327.9	1		Homo sapiens
6	E	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	1	Chemie (NAG)
7	E, A	GLYCEROL	non-polymer		92.1	3	Chemie (GOL)
8	E, A	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	4	Chemie (PEG)
9	B, E, A	SULFATE ION	non-polymer		96.1	12	Chemie (SO4)
10	A	CITRIC ACID	non-polymer		192.1	1	Chemie (CIT)
11	A, B	CHLORIDE ION	non-polymer		35.5	7	Chemie (CL)
12		water	water		18.0	319	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
Thr 417	Lys 417	engineered mutation
Lys 527	Pro 527	conflict

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	117574.0
Non-Polymers*	Number of molecules	28
	Total formula weight	2515.0
All*	Total formula weight	120089.0

*Water molecules are not included.