8CIN

BA.4/5-5 FAB IN COMPLEX WITH SARS-COV-2 BA.4 SPIKE GLYCOPROTEIN

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	1123	124616.3	3	UniProt (P0DTC2) Pfam (PF16451) Pfam (PF09408) Pfam (PF19209) Pfam (PF01601)	Severe acute respiratory syndrome coronavirus 2	S glycoprotein,E2,Peplomer protein
2	D, F, G (E, H, J)	BA.4/5-5 fab HEAVY CHAIN	polymer	223	23612.5	3		Homo sapiens
3	E, H, I (F, K, L)	BA.4/5-5 fab LIGHT CHAIN	polymer	214	22616.1	3		Homo sapiens
4	J, K, L, M, N... (D, G, I, M, N...)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	12	In PDB GlyTouCan (G42666HT)
5	AA, BA, CA, DA, EA... (A, B, C)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	27	Chemie (NAG)

Sequence modifications

A, B, C: 25 - 1142 (UniProt: P0DTC2)

PDB	External Database	Details
Thr 22	-	expression tag
Gln 23	-	expression tag
Ser 24	-	expression tag
Asp 137	Gly 142	variant
Asp 334	Gly 339	variant
Phe 366	Ser 371	variant
Pro 368	Ser 373	variant
Phe 370	Ser 375	variant
Ala 371	Thr 376	variant
Asn 400	Asp 405	variant
Ser 403	Arg 408	variant
Asn 412	Lys 417	variant
Lys 435	Asn 440	variant
Arg 447	Leu 452	variant
Asn 472	Ser 477	variant
Lys 473	Thr 478	variant
Ala 479	Glu 484	variant
Val 481	Phe 486	variant
Arg 493	Gln 498	variant
Tyr 496	Asn 501	variant
His 500	Tyr 505	variant
Gly 609	Asp 614	variant
Tyr 650	His 655	variant
Lys 759	Asn 764	variant
Tyr 791	Asp 796	variant
His 949	Gln 954	variant
Lys 964	Asn 969	variant
Pro 981	Lys 986	engineered mutation
Pro 982	Val 987	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	9
	Total formula weight	512534.6
Branched	Number of molecules	12
	Total formula weight	5092.8
Non-Polymers*	Number of molecules	27
	Total formula weight	5972.6
All*	Total formula weight	523600.0

*Water molecules are not included.