9PSP

Crystal structure of SARS-CoV-2 receptor binding domain in complex with antibodies BoWLB-1173 and CC12.3

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (T, U)	Spike protein S1 receptor binding domain	polymer	209	23520.3	2	UniProt (P0DTC2) Pfam (PF09408)	Severe acute respiratory syndrome coronavirus 2
2	C, E (K, M)	CC12.3 Fab heavy chain	polymer	220	23377.2	2		Homo sapiens
3	D, F (W, N)	CC12.3 Fab light chain	polymer	215	23432.0	2		Homo sapiens
4	G, I (H, A)	BoWLB-1173 Fab heavy chain	polymer	221	23327.2	2		Mus musculus
5	H, J (L, B)	BoWLB-1173 Fab light chain	polymer	221	24430.2	2		Mus musculus
6	K (V)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	1	In PDB GlyTouCan (G42666HT)
7	L (T)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	1	Chemie (NAG)
8	M, N, O, P, Q (U, K, W)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	5	Chemie (PEG)
9	R (W)	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
10	S, U (N, A)	TRIETHYLENE GLYCOL	non-polymer		150.2	2	Chemie (PGE)
11	T (H)	PENTAETHYLENE GLYCOL	non-polymer		238.3	1	Chemie (1PE)
12	AA, BA, CA, DA, EA... (N, H, L, A, B...)	water	water		18.0	277	Chemie (HOH)

Sequence modifications

T, U: 333 - 533 (UniProt: P0DTC2)

PDB	External Database	Details
Ser 534	-	expression tag
Gly 535	-	expression tag
His 536	-	expression tag
His 537	-	expression tag
His 538	-	expression tag
His 539	-	expression tag
His 540	-	expression tag
His 541	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	10
	Total formula weight	236173.5
Branched	Number of molecules	1
	Total formula weight	424.4
Non-Polymers*	Number of molecules	10
	Total formula weight	1352.5
All*	Total formula weight	237950.4

*Water molecules are not included.