9ELF

Cryo-EM structure of SARS-CoV-2 Omicron KP.3.1.1 spike protein in complex with human ACE2

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, C)	Processed angiotensin-converting enzyme 2	polymer	603	69982.6	2	UniProt (Q9BYF1) Pfam (PF01401)	Homo sapiens (human)
2	C, D, E (E, F, G)	Spike glycoprotein	polymer	1199	133180.0	3	UniProt (P0DTC2) Pfam (PF16451) Pfam (PF09408) Pfam (PF19209) Pfam (PF01601)	Severe acute respiratory syndrome coronavirus 2	S glycoprotein,E2,Peplomer protein
3	F, H, I, J, M... (B, H, I, J, M...)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	10	In PDB GlyTouCan (G42666HT)
4	G, K, L, P, Q... (D, K, L, P, Q...)	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		586.5	6	In PDB GlyTouCan (G15407YE)
5	AA, BA, CA, DA, EA... (C, E, F, G, A)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	26	Chemie (NAG)

Sequence modifications

A, C: 19 - 615 (UniProt: Q9BYF1)

PDB	External Database	Details
His 616	-	expression tag
His 617	-	expression tag
His 618	-	expression tag
His 619	-	expression tag
His 620	-	expression tag
His 621	-	expression tag

E, F, G: 4 - 1208 (UniProt: P0DTC2)

PDB	External Database	Details
Ile 22	Thr 19	variant
Thr 24	Arg 21	conflict
-	Leu 24	deletion
-	Pro 25	deletion
-	Pro 26	deletion
Ser 27	Ala 27	conflict
-	Ser 31	deletion
Leu 50	Ser 50	conflict
-	His 69	deletion
-	Val 70	deletion
Phe 127	Val 127	conflict
Asp 143	Gly 142	variant
-	Tyr 145	deletion
Ser 157	Phe 157	conflict
Gly 158	Arg 158	conflict
-	Asn 211	deletion
Ile 212	Leu 212	conflict
Gly 213	Val 213	variant
Phe 216	Leu 216	conflict
Asn 245	His 245	conflict
Asp 264	Ala 264	conflict
Val 332	Ile 332	conflict
His 339	Gly 339	variant
Thr 356	Lys 356	conflict
Phe 371	Ser 371	variant
Pro 373	Ser 373	variant
Phe 375	Ser 375	variant
Ala 376	Thr 376	variant
Lys 403	Arg 403	conflict
Asn 405	Asp 405	variant
Ser 408	Arg 408	variant
Asn 417	Lys 417	variant
Lys 440	Asn 440	variant
His 445	Val 445	conflict
Ser 446	Gly 446	variant
Asp 450	Asn 450	conflict
Trp 452	Leu 452	conflict
Ser 455	Leu 455	conflict
Leu 456	Phe 456	variant
Lys 460	Asn 460	variant
Asn 477	Ser 477	variant
Lys 478	Thr 478	variant
Lys 481	Asn 481	conflict
-	Val 483	deletion
Lys 484	Glu 484	variant
Pro 486	Phe 486	variant
Glu 493	Gln 493	conflict
Arg 498	Gln 498	variant
Tyr 501	Asn 501	variant
His 505	Tyr 505	variant
Lys 554	Glu 554	conflict
Val 570	Ala 570	conflict
Gly 614	Asp 614	variant
Ser 621	Pro 621	conflict
Tyr 655	His 655	variant
Lys 679	Asn 679	variant
Arg 681	Pro 681	variant
Gly 682	Arg 682	conflict
Ser 683	Arg 683	conflict
Ser 685	Arg 685	conflict
Lys 764	Asn 764	variant
Tyr 796	Asp 796	variant
Pro 817	Phe 817	conflict
Pro 892	Ala 892	conflict
Pro 899	Ala 899	conflict
Phe 939	Ser 939	conflict
Pro 942	Ala 942	conflict
His 954	Gln 954	variant
Lys 969	Asn 969	variant
Pro 986	Lys 986	conflict
Pro 987	Val 987	conflict
Leu 1104	Val 1104	conflict
Leu 1143	Pro 1143	conflict

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	539505.2
Branched	Number of molecules	16
	Total formula weight	7763.3
Non-Polymers*	Number of molecules	26
	Total formula weight	5751.4
All*	Total formula weight	553019.8

*Water molecules are not included.