7D30

Structure of sybody MR17-SR31 fusion in complex with the SARS-CoV-2 S Receptor Binding domain (RBD)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	sybody fusion of MR17-SR31 with a GS linker	polymer	298	31220.1	1		synthetic construct
2	B	Spike protein S1	polymer	213	23747.6	1	UniProt (P0DTC2) Pfam (PF09408) In PDB	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV)	S glycoprotein,E2,Peplomer protein
3	C	alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)][alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		1041.0	1	In PDB GlyTouCan (G17601US)
4	A, B	GLYCEROL	non-polymer		92.1	5	Chemie (GOL)
5	B, A	ACETATE ION	non-polymer		59.0	14	Chemie (ACT)
6	B, A	PENTAETHYLENE GLYCOL	non-polymer		238.3	2	Chemie (1PE)
7	A, B	1,3-BUTANEDIOL	non-polymer		90.1	5	Chemie (BU2)
8	A, B	CADMIUM ION	non-polymer		112.4	17	Chemie (CD)
9		water	water		18.0	219	Chemie (HOH)

Sequence modifications

B: 330 - 531 (UniProt: P0DTC2)

PDB	External Database	Details
Ala 327	-	expression tag
Gly 328	-	expression tag
Ser 329	-	expression tag
Gly 532	-	expression tag
Thr 533	-	expression tag
Leu 534	-	expression tag
Glu 535	-	expression tag
Val 536	-	expression tag
Leu 537	-	expression tag
Phe 538	-	expression tag
Gln 539	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	54967.8
Branched	Number of molecules	1
	Total formula weight	1041.0
Non-Polymers*	Number of molecules	43
	Total formula weight	4125.2
All*	Total formula weight	60134.0

*Water molecules are not included.