9PSN

Crystal structure of SARS-CoV-2 receptor binding domain in complex with antibodies BoWLB-105 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 (E, T)	Spike protein S1 receptor binding domain	polymer	209	23520.3	2	UniProt (P0DTC2) Pfam (PF09408)	Severe acute respiratory syndrome coronavirus 2
2	C, E (J, M)	CC12.3 Fab heavy chain	polymer	220	23377.2	2		Homo sapiens
3	D, F (K, N)	CC12.3 Fab light chain	polymer	215	23432.0	2		Homo sapiens
4	G, I (O, Q)	BoWLB-105 Fab heavy chain	polymer	221	23313.1	2		Mus musculus
5	H, J (P, R)	BoWLB-105 Fab light chain	polymer	221	24430.2	2		Mus musculus
6	K (A)	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 (E)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	1	Chemie (NAG)
8	M, N, R (E, J)	1,2-ETHANEDIOL	non-polymer		62.1	3	Chemie (EDO)
9	AA, O, P, Q, T... (N, J, K)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	8	Chemie (PEG)
10	S, U, W, Y (K, M, N)	TRIETHYLENE GLYCOL	non-polymer		150.2	4	Chemie (PGE)
11	BA, CA (O, Q)	TETRAETHYLENE GLYCOL	non-polymer		194.2	2	Chemie (PG4)
12	DA, EA, FA, GA, HA... (E, T, J, K, M...)	water	water		18.0	697	Chemie (HOH)

Sequence modifications

E, T: 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	236145.4
Branched	Number of molecules	1
	Total formula weight	424.4
Non-Polymers*	Number of molecules	18
	Total formula weight	2245.5
All*	Total formula weight	238815.3

*Water molecules are not included.