7ORA

Crystal structure of the T478K mutant receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-45 and COVOX-253 Fabs

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, F (R, C)	Spike protein S1	polymer	205	23179.0	2	UniProt (P0DTC2) Pfam (PF09408)	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV SARS-CoV-2)	T478K mutant RBD
2	B, G (A, D)	COVOX-45 Fab heavy chain	polymer	226	24187.2	2		Homo sapiens
3	C, H (B, E)	COVOX-45 Fab light chain	polymer	214	23359.8	2		Homo sapiens
4	D, I (F, H)	COVOX-253 Fab heavy chain	polymer	228	24371.4	2		Homo sapiens
5	E, J (G, L)	COVOX-253 Fab light chain	polymer	215	23256.6	2		Homo sapiens
6	K (I)	alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		367.3	1	In PDB GlyTouCan (G86851RC)
7	L, M, N (J, K, M)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		570.5	3	In PDB GlyTouCan (G21290RB)
8	O, P, T, W, X... (R, F, C, L)	GLYCEROL	non-polymer		92.1	6	Chemie (GOL)
9	Q, R, S, U, V... (A, B, F, H)	CHLORIDE ION	non-polymer		35.5	6	Chemie (CL)
10	AA, BA, CA, DA, EA... (R, A, B, F, G...)	water	water		18.0	283	Chemie (HOH)

Sequence modifications

R, 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 478	Thr 478	engineered mutation
Lys 527	Pro 527	conflict

Contents of the asymmetric unit

Polymers	Number of chains	10
	Total formula weight	236707.9
Branched	Number of molecules	4
	Total formula weight	2079.0
Non-Polymers*	Number of molecules	12
	Total formula weight	765.3
All*	Total formula weight	239552.1

*Water molecules are not included.