7DX9

Trypsin-digested S protein of SARS-CoV-2 bound with PD of ACE2 in the conformation 3 (3 up RBD and 2 PD bound)

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	Spike glycoprotein	polymer	1283	142502.6	3	UniProt (P0DTC2) Pfam (PF16451) Pfam (PF09408) Pfam (PF19209) Pfam (PF01601) In PDB	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV)	S glycoprotein,E2,Peplomer protein
2	D, E	Angiotensin-converting enzyme 2	polymer	817	93971.3	2	UniProt (Q9BYF1) Pfam (PF01401) Pfam (PF16959) In PDB	Homo sapiens (Human)	ACE-related carboxypeptidase,Angiotensin-converting enzyme homolog,ACEH,Metalloprotease MPROT15
3	a, b, c, d, e...	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	32	In PDB GlyTouCan (G42666HT)
4	B, C, A, D, E	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	29	Chemie (NAG)

Sequence modifications

A, B, C: 1 - 1273 (UniProt: P0DTC2)

PDB	External Database	Details
Pro 986	Lys 986	engineered mutation
Pro 987	Val 987	engineered mutation
Leu 1274	-	expression tag
Glu 1275	-	expression tag
Asp 1276	-	expression tag
Tyr 1277	-	expression tag
Lys 1278	-	expression tag
Asp 1279	-	expression tag
Asp 1280	-	expression tag
Asp 1281	-	expression tag
Asp 1282	-	expression tag
Lys 1283	-	expression tag

D, E: -6 - 805 (UniProt: Q9BYF1)

PDB	External Database	Details
Met -11	-	expression tag
Ala -10	-	expression tag
Ser -9	-	expression tag
Gly -8	-	expression tag
Arg -7	-	expression tag
Trp 10	-	insertion
Ser 11	-	insertion
His 12	-	insertion
Pro 13	-	insertion
Gln 14	-	insertion
Phe 15	-	insertion
Glu 16	-	insertion
Lys 17	-	insertion

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	615450.3
Branched	Number of molecules	32
	Total formula weight	13580.8
Non-Polymers*	Number of molecules	29
	Total formula weight	6415.0
All*	Total formula weight	635446.2

*Water molecules are not included.