7EKG

Structure of SARS-CoV-2 Beta variant spike receptor-binding domain complexed 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	Angiotensin-converting enzyme 2	polymer	603	69982.6	1	UniProt (Q9BYF1) Pfam (PF01401) In PDB	Homo sapiens (Human)	ACE-related carboxypeptidase,Angiotensin-converting enzyme homolog,ACEH,Metalloprotease MPROT15
2	B	Spike protein S1	polymer	229	25985.3	1	UniProt (P0DTC2) Pfam (PF09408) In PDB	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV SARS-CoV-2)
3	C	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	1	In PDB GlyTouCan (G42666HT)
4	A, B	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	5	Chemie (NAG)
5	A	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
6		water	water		18.0	21	Chemie (HOH)

Sequence modifications

A: 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

B: 319 - 541 (UniProt: P0DTC2)

PDB	External Database	Details
Asn 417	Lys 417	engineered mutation
Lys 484	Glu 484	engineered mutation
Tyr 501	Asn 501	engineered mutation
His 542	-	expression tag
His 543	-	expression tag
His 544	-	expression tag
His 545	-	expression tag
His 546	-	expression tag
His 547	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	95967.8
Branched	Number of molecules	1
	Total formula weight	424.4
Non-Polymers*	Number of molecules	6
	Total formula weight	1171.4
All*	Total formula weight	97563.7

*Water molecules are not included.