8DCC

SARS-CoV-2 Receptor-Binding Domain SPEEDesign Immunogen 3 Bound to P2B-2F6 Fab

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (E)	Spike protein S1	polymer	211	23684.4	1	UniProt (P0DTC2) Pfam (PF09408)	Severe acute respiratory syndrome coronavirus 2
2	B (L)	P2B-2F6 Fab light chain	polymer	216	22687.0	1		Homo sapiens (human)
3	C (H)	P2B-2F6 Fab heavy chain	polymer	242	25600.8	1		Homo sapiens (human)
4	D (E)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	1	Chemie (NAG)
5	E, F, G (E, L, H)	water	water		18.0	31	Chemie (HOH)

Sequence modifications

E: 333 - 526 (UniProt: P0DTC2)

PDB	External Database	Details
Glu 330	-	expression tag
Thr 331	-	expression tag
Gly 332	-	expression tag
Lys 333	Thr 333	engineered mutation
Tyr 363	Ala 363	engineered mutation
Lys 388	Asn 388	engineered mutation
Tyr 394	Asn 394	engineered mutation
Thr 468	Ile 468	engineered mutation
Thr 514	Ser 514	engineered mutation
Asp 519	His 519	engineered mutation
Pro 522	Ala 522	engineered mutation
Gly 527	-	expression tag
Thr 528	-	expression tag
Gly 529	-	expression tag
Gly 530	-	expression tag
Gly 531	-	expression tag
Gly 532	-	expression tag
Ser 533	-	expression tag
Lys 534	-	expression tag
His 535	-	expression tag
His 536	-	expression tag
His 537	-	expression tag
His 538	-	expression tag
His 539	-	expression tag
His 540	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	71972.2
Non-Polymers*	Number of molecules	1
	Total formula weight	221.2
All*	Total formula weight	72193.4

*Water molecules are not included.