9Z3K

SARS-CoV-2 S2 trimer stabilized in the early fusion intermediate conformation by circular permutation and clamping by gp41 (E-FICs-v1)

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 PROTEIN	polymer	608	68016.2	3	UniProt (Q12306) UniProt (P0DTC2) Pfam (PF00240) Pfam (PF01601)	Severe acute respiratory syndrome coronavirus 2
2	D, E, F, G, H... (A, B, C)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	18	Chemie (NAG) PubChem (24139)

Sequence modifications

A, B, C: 755 - 848 (UniProt: Q12306)

PDB	External Database	Details
Met 735	-	expression tag
Thr 736	-	expression tag
Arg 737	-	expression tag
Leu 738	-	expression tag
Thr 739	-	expression tag
Val 740	-	expression tag
Leu 741	-	expression tag
Ala 742	-	expression tag
Leu 743	-	expression tag
Leu 744	-	expression tag
Ala 745	-	expression tag
Gly 746	-	expression tag
Leu 747	-	expression tag
Leu 748	-	expression tag
Ala 749	-	expression tag
Ser 750	-	expression tag
Ser 751	-	expression tag
Arg 752	-	expression tag
Ala 753	-	expression tag
Ser 754	-	expression tag
Asn 849	-	linker
Asp 850	-	linker
Asp 851	-	linker
Asp 852	-	linker
Asp 853	-	linker
Lys 854	-	linker
Thr 855	-	linker
Gly 856	-	linker
Thr 857	-	linker
Gly 858	-	linker
Ser 859	-	linker
Thr 860	-	linker
Val 861	-	linker
Gln 862	-	linker
Val 863	-	linker
Arg 864	-	linker
Lys 865	-	linker
Leu 866	-	linker
Leu 867	-	linker
Ser 868	-	linker
Gly 869	-	linker
Ile 870	-	linker
Val 871	-	linker
Gln 872	-	linker
Gln 873	-	linker
Gln 874	-	linker
Ser 875	-	linker
Asn 876	-	linker
Leu 877	-	linker
Leu 878	-	linker
Arg 879	-	linker
Ala 880	-	linker
Ile 881	-	linker
Glu 882	-	linker
Ala 883	-	linker
Gln 884	-	linker
Gln 885	-	linker
His 886	-	linker
Leu 887	-	linker
Leu 888	-	linker
Lys 889	-	linker
Leu 890	-	linker
Thr 891	-	linker
Val 892	-	linker
Trp 893	-	linker
Gly 894	-	linker
Ile 895	-	linker
Lys 896	-	linker
Gln 897	-	linker
Leu 898	-	linker
Gln 899	-	linker
Ala 900	-	linker
Gln 901	-	linker
Val 902	-	linker
Glu 903	-	linker
Glu 904	-	linker
Arg 905	-	linker
Ile 906	-	linker
Asn 907	-	linker
Ala 908	-	linker
Ile 909	-	linker
Glu 910	-	linker
Thr 911	-	linker
Ala 912	-	linker
Ile 913	-	linker

A, B, C: 914 - 1131 (UniProt: P0DTC2)

PDB	External Database	Details
Ala 985	Asp 985	conflict

A, B, C: 1703 - 1828 (UniProt: P0DTC2)

PDB	External Database	Details
Thr 1132	-	linker
Pro 1829	-	expression tag
Asp 1830	-	expression tag
Pro 1831	-	expression tag
Gly 1832	-	expression tag
Ser 1833	-	expression tag
Asn 1834	-	expression tag
Glu 1835	-	expression tag
Glu 1836	-	expression tag
Trp 1837	-	expression tag
Leu 1838	-	expression tag
Gln 1839	-	expression tag
Trp 1840	-	expression tag
Asp 1841	-	expression tag
Lys 1842	-	expression tag
Glu 1843	-	expression tag
Ile 1844	-	expression tag
Ser 1845	-	expression tag
Asn 1846	-	expression tag
Tyr 1847	-	expression tag
Thr 1848	-	expression tag
His 1849	-	expression tag
Ile 1850	-	expression tag
Ile 1851	-	expression tag
Tyr 1852	-	expression tag
Glu 1853	-	expression tag
Leu 1854	-	expression tag
Ile 1855	-	expression tag
Glu 1856	-	expression tag
Glu 1857	-	expression tag
Ser 1858	-	expression tag
Gln 1859	-	expression tag
Lys 1860	-	expression tag
Gln 1861	-	expression tag
Gln 1862	-	expression tag
Glu 1863	-	expression tag
Lys 1864	-	expression tag
Asn 1865	-	expression tag
Glu 1133	-	expression tag
Gln 1134	-	expression tag
Glu 1135	-	expression tag
Leu 1136	-	expression tag
Leu 1137	-	expression tag
Glu 1138	-	expression tag
Leu 1139	-	expression tag
Asp 1140	-	expression tag
Lys 1141	-	expression tag
Ser 1142	-	expression tag
Ser 1143	-	expression tag
Gly 1144	-	expression tag
Gly 1145	-	expression tag
Thr 1146	-	expression tag
Asp 1147	-	expression tag
Asp 1148	-	expression tag
Asp 1149	-	expression tag
Asp 1150	-	expression tag
Lys 1151	-	expression tag
Thr 1152	-	expression tag
Gly 1153	-	expression tag
Ser 1154	-	expression tag
Leu 1155	-	expression tag
Asn 1156	-	expression tag
Asp 1157	-	expression tag
Ile 1158	-	expression tag
Phe 1159	-	expression tag
Glu 1160	-	expression tag
Ala 1161	-	expression tag
Gln 1162	-	expression tag
Lys 1163	-	expression tag
Ile 1164	-	expression tag
Glu 1165	-	expression tag
Trp 1166	-	expression tag
His 1167	-	expression tag
Glu 1168	-	expression tag
Gln 1169	-	expression tag
Gly 1170	-	expression tag
Ser 1171	-	expression tag
His 1172	-	expression tag
His 1173	-	expression tag
His 1174	-	expression tag
His 1175	-	expression tag
His 1176	-	expression tag
His 1177	-	expression tag
His 1178	-	expression tag
His 1179	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	204048.6
Non-Polymers*	Number of molecules	18
	Total formula weight	3981.7
All*	Total formula weight	208030.4

*Water molecules are not included.