11HN

SARS-CoV-2 spike S2 trimer stabilized in the early fusion intermediate conformation bound to C77G12 (S2 local refinement)

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 (B, C, A)	Spike protein S2	polymer	605	67787.2	3	UniProt (Q12306) UniProt (P0DTC2)	Saccharomyces cerevisiae S288C	SUMO,Suppressor of mif two,Ubiquitin-like protein SMT3
2	D, E, F, G, H... (B, C, A)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	12	Chemie (NAG)
3	P, Q, R (B, C, A)	water	water		18.0	63	Chemie (HOH)

Sequence modifications

B, C, A: 775 - 868 (UniProt: Q12306)

PDB	External Database	Details
Met 755	-	initiating methionine
Thr 756	-	expression tag
Arg 757	-	expression tag
Leu 758	-	expression tag
Thr 759	-	expression tag
Val 760	-	expression tag
Leu 761	-	expression tag
Ala 762	-	expression tag
Leu 763	-	expression tag
Leu 764	-	expression tag
Ala 765	-	expression tag
Gly 766	-	expression tag
Leu 767	-	expression tag
Leu 768	-	expression tag
Ala 769	-	expression tag
Ser 770	-	expression tag
Ser 771	-	expression tag
Arg 772	-	expression tag
Ala 773	-	expression tag
Ser 774	-	expression tag
Asn 869	-	linker
Asp 870	-	linker
Asp 871	-	linker
Asp 872	-	linker
Asp 873	-	linker
Lys 874	-	linker
Thr 875	-	linker
Gly 876	-	linker
Thr 877	-	linker
Gly 878	-	linker
Ser 879	-	linker
Gln 880	-	linker
Ser 881	-	linker
Asn 882	-	linker
Ala 883	-	linker
Glu 884	-	linker
Ser 885	-	linker
Val 886	-	linker
Gln 887	-	linker
Asn 888	-	linker
His 889	-	linker
Thr 890	-	linker
Phe 891	-	linker
Glu 892	-	linker
Val 893	-	linker
Leu 894	-	linker
Asn 895	-	linker
Asn 896	-	linker
Thr 897	-	linker
Ile 898	-	linker
Arg 899	-	linker
Ala 900	-	linker
Leu 901	-	linker
Glu 902	-	linker
Leu 903	-	linker
Ile 904	-	linker
Leu 905	-	linker
Arg 906	-	linker
Lys 907	-	linker
Leu 908	-	linker
Glu 909	-	linker
Ile 910	-	linker
Leu 911	-	linker
Tyr 912	-	linker
Glu 913	-	linker
Met 914	-	linker
Ile 915	-	linker
Leu 916	-	linker
Gln 917	-	linker
Leu 918	-	linker
His 919	-	linker
Glu 920	-	linker
Glu 921	-	linker
Val 922	-	linker
Glu 923	-	linker
Ala 924	-	linker
Ile 925	-	linker
Gln 926	-	linker
Lys 927	-	linker
Ala 928	-	linker
Ile 929	-	linker

B, C, A: 930 - 1147 (UniProt: P0DTC2)

PDB	External Database	Details
Ala 1001	Asp 985	conflict

B, C, A: 1703 - 1833 (UniProt: P0DTC2)

PDB	External Database	Details
Thr 1702	-	linker
Thr 1834	-	expression tag
Ile 1835	-	expression tag
Asp 1836	-	expression tag
Lys 1837	-	expression tag
Glu 1838	-	expression tag
Lys 1839	-	expression tag
Trp 1840	-	expression tag
Lys 1841	-	expression tag
Glu 1842	-	expression tag
Trp 1843	-	expression tag
Arg 1844	-	expression tag
Lys 1845	-	expression tag
Glu 1846	-	expression tag
Met 1847	-	expression tag
Glu 1848	-	expression tag
Asn 1849	-	expression tag
Leu 1850	-	expression tag
Thr 1851	-	expression tag
Lys 1852	-	expression tag
Glu 1853	-	expression tag
Ile 1854	-	expression tag
Lys 1855	-	expression tag
Glu 1856	-	expression tag
Thr 1857	-	expression tag
Leu 1858	-	expression tag
Glu 1859	-	expression tag
Glu 1860	-	expression tag
Ala 1861	-	expression tag
Arg 1862	-	expression tag
Lys 1863	-	expression tag
Thr 1864	-	expression tag
Leu 1865	-	expression tag
Lys 1866	-	expression tag
Gln 1867	-	expression tag
Ala 1868	-	expression tag
Glu 1869	-	expression tag
Glu 1870	-	expression tag
Thr 1871	-	expression tag
Phe 1872	-	expression tag
Lys 1873	-	expression tag
Thr 1874	-	expression tag
Pro 1875	-	expression tag
Ser 1876	-	expression tag
Ser 1877	-	expression tag
Gly 1878	-	expression tag
Gly 1879	-	expression tag
Thr 1880	-	expression tag
Asp 1881	-	expression tag
Asp 1882	-	expression tag
Asp 1883	-	expression tag
Asp 1884	-	expression tag
Lys 1885	-	expression tag
Thr 1886	-	expression tag
Gly 1887	-	expression tag
Ser 1888	-	expression tag
Leu 1889	-	expression tag
Asn 1890	-	expression tag
Asp 1891	-	expression tag
Ile 1892	-	expression tag
Phe 1893	-	expression tag
Glu 1894	-	expression tag
Ala 1895	-	expression tag
Gln 1896	-	expression tag
Lys 1897	-	expression tag
Ile 1898	-	expression tag
Glu 1899	-	expression tag
Trp 1900	-	expression tag
His 1901	-	expression tag
Glu 1902	-	expression tag
Gln 1903	-	expression tag
Gly 1904	-	expression tag
Ser 1905	-	expression tag
His 1906	-	expression tag
His 1907	-	expression tag
His 1908	-	expression tag
His 1909	-	expression tag
His 1910	-	expression tag
His 1911	-	expression tag
His 1912	-	expression tag
His 1913	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	203361.5
Non-Polymers*	Number of molecules	12
	Total formula weight	2654.5
All*	Total formula weight	206016.0

*Water molecules are not included.