3SCI

Crystal structure of spike protein receptor-binding domain from a predicted SARS coronavirus human strain complexed with human receptor 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, B)	Angiotensin-converting enzyme 2	polymer	603	69982.6	2	UniProt (Q9BYF1) Pfam (PF01401)	Homo sapiens (human)	ACE2, ACE-related carboxypeptidase, Angiotensin-converting enzyme homolog, ACEH, Metalloprotease MPROT15, Processed angiotensin-converting enzyme 2
2	C, D (E, F)	Spike glycoprotein	polymer	228	25881.3	2	UniProt (P59594) Pfam (PF09408)	SARS coronavirus (SARS-CoV)	S glycoprotein, E2, Peplomer protein, Spike protein S1
3	E, G (A, B)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
4	F, H (A, B)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)

Sequence modifications

A, B: 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: 306 - 527 (UniProt: P59594)

PDB	External Database	Details
Phe 442	Tyr 442	conflict
Phe 472	Leu 472	conflict
His 528	-	expression tag
His 529	-	expression tag
His 530	-	expression tag
His 531	-	expression tag
His 532	-	expression tag
His 533	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	191727.6
Non-Polymers*	Number of molecules	4
	Total formula weight	201.7
All*	Total formula weight	191929.3

*Water molecules are not included.