8DV1

SARS-CoV-2 Wuhan-hu-1-Spike-RBD bound to linker variant of affinity matured ACE2 mimetic CVD432

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Spike glycoprotein	polymer	1208	133753.3	1	UniProt (P0DTC2) Pfam (PF16451) Pfam (PF09408) Pfam (PF19209) Pfam (PF01601)	Severe acute respiratory syndrome coronavirus 2	S glycoprotein,E2,Peplomer protein
2	B (D)	Angiotensin-converting enzyme 2,Immunoglobulin gamma-1 heavy chain fusion,Immunoglobulin gamma-1 heavy chain	polymer	967	110531.7	1	UniProt (Q9BYF1) UniProt (P0DOX5) Pfam (PF01401) Pfam (PF16959) Pfam (PF07654)	Homo sapiens (human)	Angiotensin-converting enzyme homolog,ACEH,Angiotensin-converting enzyme-related carboxypeptidase,ACE-related carboxypeptidase,Metalloprotease MPROT15,Immunoglobulin gamma-1 heavy chain NIE
3	C, D, E, F, G... (A, D)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	7	Chemie (NAG)

Sequence modifications

A: 1 - 1208 (UniProt: P0DTC2)

PDB	External Database	Details
Gly 682	Arg 682	engineered mutation
Ser 683	Arg 683	engineered mutation
Ser 685	Arg 685	engineered mutation
Pro 986	Lys 986	engineered mutation
Pro 987	Val 987	engineered mutation

D: 18 - 740 (UniProt: Q9BYF1)

PDB	External Database	Details
Phe 31	Lys 31	engineered mutation
Asp 33	Asn 33	engineered mutation
Ser 34	His 34	engineered mutation
Gln 35	Glu 35	engineered mutation
Gly 741	-	linker
Ser 742	-	linker
Ser 743	-	linker
Gly 744	-	linker
Gly 745	-	linker
Gly 746	-	linker
Gly 747	-	linker
Ser 748	-	linker
Gly 749	-	linker
Gly 750	-	linker
Gly 751	-	linker
Gly 752	-	linker

D: 753 - 984 (UniProt: P0DOX5)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	244285.0
Non-Polymers*	Number of molecules	7
	Total formula weight	1548.5
All*	Total formula weight	245833.4

*Water molecules are not included.