8C3V

SARS-CoV-2 Delta-RBD complexed with BA.2-13 Fab and C1 nanobody

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	H, A, C	BA.2-13 heavy chain	polymer	231	24766.8	3		Homo sapiens
2	L, B, D	BA.2-13 light chain	polymer	213	23149.7	3		Homo sapiens
3	R, X, Y	Spike protein S1	polymer	202	22935.7	3	UniProt (P0DTC2) Pfam (PF09408) In PDB	Severe acute respiratory syndrome coronavirus 2
4	I, J, K	Nanobody C1	polymer	131	14659.1	3		Lama glama
5	E	alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		894.8	1	In PDB GlyTouCan (G42466VF)
6	F	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		732.7	1	In PDB GlyTouCan (G32152BH)
7	G	alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		894.8	1	In PDB GlyTouCan (G00395TQ)
8	Y, K, A, R, I...	GLYCEROL	non-polymer		92.1	14	Chemie (GOL)
9	J, R	2-(2-METHOXYETHOXY)ETHANOL	non-polymer		120.1	2	Chemie (PG0)
10	Y, X	TETRAETHYLENE GLYCOL	non-polymer		194.2	2	Chemie (PG4)

Sequence modifications

R, X, Y: 333 - 528 (UniProt: P0DTC2)

PDB	External Database	Details
His 327	-	expression tag
His 328	-	expression tag
His 329	-	expression tag
His 330	-	expression tag
His 331	-	expression tag
His 332	-	expression tag
Arg 452	Leu 452	conflict
Lys 478	Thr 478	conflict
Lys 527	Pro 527	conflict

Contents of the asymmetric unit

Polymers	Number of chains	12
	Total formula weight	256533.9
Branched	Number of molecules	3
	Total formula weight	2522.3
Non-Polymers*	Number of molecules	18
	Total formula weight	1918.1
All*	Total formula weight	260974.3

*Water molecules are not included.