8CWJ

Fab arms of antibodies 4C12-B12 and CR3022 bound to pangolin receptor binding domain (pRBD)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, D (H, A)	Heavy chain of CR3022 antibody Fab	polymer	230	24428.4	2		Homo sapiens (Human)
2	B, E (L, B)	Light chain of CR3022 antibody Fab	polymer	220	24289.9	2		Homo sapiens (Human)
3	C, F (G, I)	Spike glycoprotein	polymer	204	22891.5	2	UniProt (A0A7D6TQ96)	Pangolin coronavirus	S glycoprotein,E2,Peplomer protein
4	G, I (J, U)	Heavy chain of 4C12-B12 antibody Fab	polymer	230	24514.2	2		Homo sapiens (Human)
5	H, J (K, V)	Light chain of 4C12-B12 antibody Fab	polymer	215	23466.1	2		Homo sapiens (Human)
6	K, L, M (C, D, E)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		570.5	3	In PDB GlyTouCan (G21290RB)
7	DA, EA, GA, IA, KA... (J, K, U, V, H...)	GLYCEROL	non-polymer		92.1	15	Chemie (GOL)
8	P (G)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	1	Chemie (NAG)
9	AA, BA, CA, FA, HA... (I, J, K, U, G)	CHLORIDE ION	non-polymer		35.5	10	Chemie (CL)
10	NA, OA, PA, QA, RA... (H, L, G, A, B...)	water	water		18.0	363	Chemie (HOH)

Sequence modifications

G, I: 333 - 528 (UniProt: A0A7D6TQ96)

PDB	External Database	Details
Gly 420	Asp 416	conflict
Gly 529	-	expression tag
Ser 530	-	expression tag
His 531	-	expression tag
His 532	-	expression tag
His 533	-	expression tag
His 534	-	expression tag
His 535	-	expression tag
His 536	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	10
	Total formula weight	239180.3
Branched	Number of molecules	3
	Total formula weight	1711.6
Non-Polymers*	Number of molecules	26
	Total formula weight	1957.1
All*	Total formula weight	242849.1

*Water molecules are not included.