9MR2

SARS-CoV-2 S2 monomer in complex with NICA01A-1401 Fab

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	NICA01A-1401 Fab Heavy chain	polymer	122	13621.2	1		Homo sapiens (human)
2	B (B)	NICA01A-1401 Fab Light chain	polymer	110	11453.6	1		Homo sapiens (human)
3	C (C)	Spike protein S2	polymer	474	52069.8	1	UniProt (P0DTC2) Pfam (PF01601)	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV SARS-CoV-2)

Sequence modifications

C: 698 - 1161 (UniProt: P0DTC2)

PDB	External Database	Details
Pro 817	Phe 817	engineered mutation
Cys 880	Gly 880	engineered mutation
Cys 888	Phe 888	engineered mutation
Pro 892	Ala 892	engineered mutation
Pro 899	Ala 899	engineered mutation
Pro 912	Thr 912	engineered mutation
Pro 942	Ala 942	engineered mutation
Pro 986	Lys 986	engineered mutation
Pro 987	Val 987	engineered mutation
Cys 1117	Thr 1117	engineered mutation
Cys 1139	Asp 1139	engineered mutation
Gly 1162	-	expression tag
Ser 1163	-	expression tag
His 1164	-	expression tag
His 1165	-	expression tag
His 1166	-	expression tag
His 1167	-	expression tag
His 1168	-	expression tag
His 1169	-	expression tag
His 1170	-	expression tag
His 1171	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	77144.6
All*	Total formula weight	77144.6

*Water molecules are not included.