7WPF

SARS-CoV-2 Omicron Variant S Trimer complexed with three JMB2002 Fab

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C (A, B, C)	Spike glycoprotein	polymer	1205	133912.0	3	UniProt (P0DTC2) Pfam (PF16451) Pfam (PF09408) Pfam (PF19209) Pfam (PF01601)	Severe acute respiratory syndrome coronavirus 2	S glycoprotein,E2,Peplomer protein
2	D, G, J (R, U, X)	JMB2002 Fab heavy chain	polymer	237	25218.2	3		Mus musculus
3	E, H, K (S, V, Y)	JMB2002 Fab light chain	polymer	214	23331.9	3		Mus musculus
4	F, I, L (T, W, Z)	Anti-Fab nanobody	polymer	133	14645.9	3		Lama glama
5	M, N (D, E)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	2	In PDB GlyTouCan (G42666HT)
6	AA, BA, CA, DA, EA... (B, C, A)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	35	Chemie (NAG)

Sequence modifications

A, B, C: 1 - 1208 (UniProt: P0DTC2)

PDB	External Database	Details
Val 67	Ala 67	variant
-	His 69	deletion
-	Val 70	deletion
Ile 95	Thr 95	variant
Asp 142	Gly 142	variant
-	Val 143	deletion
-	Tyr 144	deletion
-	Tyr 145	deletion
-	Asn 211	deletion
Ile 210	Leu 212	variant
Glu 210	-	insertion
Pro 210	-	insertion
Glu 210	-	insertion
Asp 339	Gly 339	variant
Leu 371	Ser 371	variant
Pro 373	Ser 373	variant
Phe 375	Ser 375	variant
Asn 417	Lys 417	variant
Lys 440	Asn 440	variant
Ser 446	Gly 446	variant
Asn 477	Ser 477	variant
Lys 478	Thr 478	variant
Ala 484	Glu 484	variant
Arg 493	Gln 493	engineered mutation
Ser 496	Gly 496	variant
Arg 498	Gln 498	variant
Tyr 501	Asn 501	variant
His 505	Tyr 505	variant
Lys 547	Thr 547	variant
Gly 614	Asp 614	variant
Tyr 655	His 655	variant
Lys 679	Asn 679	variant
His 681	Pro 681	variant
Gly 682	Arg 682	engineered mutation
Ser 683	Arg 683	engineered mutation
Ser 685	Arg 685	engineered mutation
Lys 764	Asn 764	variant
Tyr 796	Asp 796	variant
Lys 856	Asn 856	variant
His 954	Gln 954	variant
Lys 969	Asn 969	variant
Phe 981	Leu 981	variant
Pro 986	Lys 986	engineered mutation
Pro 987	Val 987	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	12
	Total formula weight	591323.8
Branched	Number of molecules	2
	Total formula weight	848.8
Non-Polymers*	Number of molecules	35
	Total formula weight	7742.3
All*	Total formula weight	599914.9

*Water molecules are not included.