9PSO

Crystal structure of SARS-CoV-2 receptor binding domain in complex with antibodies BoWLB-622 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 (E)	Spike protein S1 receptor binding domain	polymer	209	23520.3	1	UniProt (P0DTC2) Pfam (PF09408)	Severe acute respiratory syndrome coronavirus 2
2	B (F)	CC12.3 Fab heavy chain	polymer	220	23377.2	1		Homo sapiens
3	C (G)	CC12.3 Fab light chain	polymer	215	23432.0	1		Homo sapiens
4	D (H)	BoWLB-622 Fab heavy chain	polymer	221	23341.2	1		Mus musculus
5	E (L)	BoWLB-622 Fab light chain	polymer	221	24339.1	1		Mus musculus
6	F (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	G, I, L, M, N... (E, F, G, H, L)	SULFATE ION	non-polymer		96.1	11	Chemie (SO4)
8	AA, H, K, P, T... (L, E, F, G, H)	1,2-ETHANEDIOL	non-polymer		62.1	7	Chemie (EDO)
9	J (F)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
10	S (H)	TRIETHYLENE GLYCOL	non-polymer		150.2	1	Chemie (PGE)
11	U (H)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
12	BA, CA, DA, EA, FA (E, F, G, H, L)	water	water		18.0	241	Chemie (HOH)

Sequence modifications

E: 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	5
	Total formula weight	118009.7
Branched	Number of molecules	1
	Total formula weight	424.4
Non-Polymers*	Number of molecules	21
	Total formula weight	1839.6
All*	Total formula weight	120273.7

*Water molecules are not included.