6YLA

Crystal structure of the SARS-CoV-2 receptor binding domain in complex with CR3022 Fab

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, D (E, A)	Spike glycoprotein	polymer	213	24003.8	2	UniProt (P0DTC2) Pfam (PF09408)	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV)	S glycoprotein,E2,Peplomer protein
2	B, E (H, B)	Heavy Chain	polymer	229	24455.5	2		Homo sapiens (Human)
3	C, F (L, C)	Light chain	polymer	220	24289.9	2		Homo sapiens (Human)
4	AA, FA, G, H, HA... (A, B, E, C, H...)	DIMETHYL SULFOXIDE	non-polymer		78.1	14	Chemie (DMS)
5	BA, CA, DA, EA, I... (B, E, C, H)	MALONATE ION	non-polymer		102.0	12	Chemie (MLI)
6	L, M, Z (E, A)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	3	Chemie (NAG)
7	GA, V (C, L)	PENTAETHYLENE GLYCOL	non-polymer		238.3	2	Chemie (1PE)
8	X (A)	2-(2-METHOXYETHOXY)ETHANOL	non-polymer		120.1	1	Chemie (PG0)
9	MA, NA, OA, PA, QA... (E, H, L, A, B...)	water	water		18.0	52	Chemie (HOH)

Sequence modifications

E, A: 330 - 532 (UniProt: P0DTC2)

PDB	External Database	Details
Glu 327	-	expression tag
Thr 328	-	expression tag
Gly 329	-	expression tag
Lys 533	-	expression tag
His 534	-	expression tag
His 535	-	expression tag
His 536	-	expression tag
His 537	-	expression tag
His 538	-	expression tag
His 539	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	145498.5
Non-Polymers*	Number of molecules	32
	Total formula weight	3578.7
All*	Total formula weight	149077.2

*Water molecules are not included.