8BG5

Crystal structure of the SARS-CoV-2 S RBD in complex with pT1631 scFV

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C (A, C)	pT1631 single-chain Fv	polymer	281	29485.4	2		Homo sapiens
2	B, D (B, D)	Spike protein S1	polymer	229	25349.0	2	UniProt (P0DTC2) Pfam (PF09408)	Severe acute respiratory syndrome coronavirus 2
3	E, F (B, D)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	2	Chemie (NAG)
4	G, H, I, J (A, B, C, D)	water	water		18.0	250	Chemie (HOH)

Sequence modifications

B, D: 334 - 527 (UniProt: P0DTC2)

PDB	External Database	Details
Asp 528	-	expression tag
Asp 529	-	expression tag
Asp 530	-	expression tag
Asp 531	-	expression tag
Lys 532	-	expression tag
Ala 533	-	expression tag
Gly 534	-	expression tag
Trp 535	-	expression tag
Ser 536	-	expression tag
His 537	-	expression tag
Pro 538	-	expression tag
Gln 539	-	expression tag
Phe 540	-	expression tag
Glu 541	-	expression tag
Lys 542	-	expression tag
Gly 543	-	expression tag
Gly 544	-	expression tag
Gly 545	-	expression tag
Ser 546	-	expression tag
Gly 547	-	expression tag
Gly 548	-	expression tag
Gly 549	-	expression tag
Ser 550	-	expression tag
Gly 551	-	expression tag
Gly 552	-	expression tag
Gly 553	-	expression tag
Ser 554	-	expression tag
Trp 555	-	expression tag
Ser 556	-	expression tag
His 557	-	expression tag
Pro 558	-	expression tag
Gln 559	-	expression tag
Phe 560	-	expression tag
Glu 561	-	expression tag
Lys 562	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	109668.9
Non-Polymers*	Number of molecules	2
	Total formula weight	442.4
All*	Total formula weight	110111.3

*Water molecules are not included.