7NEG

Crystal structure of the N501Y mutant receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-269 Fab

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (H)	Antibody COVOX-269 Fab heavy chain	polymer	222	23557.4	1		Homo sapiens (Human)
2	B (L)	Antibody COVOX-269 Fab light chain	polymer	215	23300.0	1		Homo sapiens (Human)
3	C (E)	Surface glycoprotein	polymer	210	23661.6	1	UniProt (A0A7D5QNT3) Pfam (PF09408) UniProt (by SIFTS) (P0DTC2)	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV)
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, G, H, I, K (H, L, E)	GLYCEROL	non-polymer		92.1	5	Chemie (GOL)
6	F, J, L (H, L, E)	SULFATE ION	non-polymer		96.1	3	Chemie (SO4)
7	M, N, O (H, L, E)	water	water		18.0	134	Chemie (HOH)

Sequence modifications

E: 333 - 528 (UniProt: A0A7D5QNT3)

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
Lys 527	Pro 527	conflict

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	70518.9
Branched	Number of molecules	1
	Total formula weight	570.5
Non-Polymers*	Number of molecules	8
	Total formula weight	748.7
All*	Total formula weight	71838.1

*Water molecules are not included.