8QSQ

Locally refined SARS-CoV-2 BA-2.86 Spike receptor binding domain (RBD) complexed with angiotensin converting enzyme 2 (ACE2)

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Spike protein S2'	polymer	195	22159.1	1	UniProt (P0DTC2) Pfam (PF09408) In PDB	Severe acute respiratory syndrome coronavirus 2
2	B	Processed angiotensin-converting enzyme 2	polymer	603	69982.6	1	UniProt (Q9BYF1) Pfam (PF01401) In PDB	Homo sapiens (human)
3	B	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	6	Chemie (NAG)

Sequence modifications

A: 329 - 523 (UniProt: P0DTC2)

PDB	External Database	Details
Val 329	Ile 332	conflict
His 336	Gly 339	variant
Thr 353	Lys 356	conflict
Phe 368	Ser 371	variant
Pro 370	Ser 373	variant
Phe 372	Ser 375	variant
Ala 373	Thr 376	variant
Lys 400	Arg 403	conflict
Asn 402	Asp 405	variant
Ser 405	Arg 408	variant
Asn 414	Lys 417	variant
Lys 437	Asn 440	variant
His 442	Val 445	variant
Ser 443	Gly 446	variant
Asp 447	Asn 450	conflict
Trp 449	Leu 452	variant
Lys 457	Asn 460	variant
Asn 474	Ser 477	variant
Lys 475	Thr 478	variant
Lys 478	Asn 481	conflict
-	Val 483	deletion
Lys 480	Glu 484	variant
Pro 482	Phe 486	variant
Arg 494	Gln 498	variant
Tyr 497	Asn 501	variant
His 501	Tyr 505	variant

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

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	92141.6
Non-Polymers*	Number of molecules	6
	Total formula weight	1327.2
All*	Total formula weight	93468.9

*Water molecules are not included.