8VQR

Crystal structure of chimeric SARS-CoV-2 RBD complexed with chimeric raccoon dog ACE2

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Angiotensin-converting enzyme,Processed angiotensin-converting enzyme 2	polymer	602	70028.5	2	UniProt (B4XEP4) UniProt (Q9BYF1) Pfam (PF01401) In PDB	Nyctereutes procyonoides (raccoon dog)
2	E, F	Spike protein S1	polymer	232	26154.4	2	UniProt (P0DTC2) Pfam (PF09408) In PDB	Severe acute respiratory syndrome coronavirus 2
3	C	alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		367.3	1	In PDB GlyTouCan (G86851RC)
4	D	beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		894.8	1	In PDB GlyTouCan (G59471KQ)
5	G, I	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	2	In PDB GlyTouCan (G42666HT)
6	H	alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		748.7	1	In PDB GlyTouCan (G81315DD)
7	J	alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		894.8	1	In PDB GlyTouCan (G42466VF)
8	K	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		586.5	1	In PDB GlyTouCan (G15407YE)
9	A, B	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
10	A, B	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
11	A, B	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	2	Chemie (NAG)
12	B	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
13		water	water		18.0	16	Chemie (HOH)

Sequence modifications

A, B: 20 - 46 (UniProt: B4XEP4)
A, B: 47 - 75 (UniProt: Q9BYF1)
A, B: 76 - 96 (UniProt: B4XEP4)
A, B: 97 - 322 (UniProt: Q9BYF1)
A, B: 323 - 360 (UniProt: B4XEP4)
A, B: 361 - 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

E, F: 319 - 536 (UniProt: P0DTC2)

PDB	External Database	Details
Val 321	Gln 321	engineered mutation
Ser 323	Thr 323	engineered mutation
Gly 324	Glu 324	engineered mutation
Asp 325	Ser 325	engineered mutation
Val 326	Ile 326	engineered mutation
Lys 346	Arg 346	variant
Pro 348	Ala 348	engineered mutation
Glu 354	Asn 354	engineered mutation
Lys 357	Arg 357	engineered mutation
Thr 372	Ala 372	engineered mutation
Phe 373	Ser 373	engineered mutation
Ala 384	Pro 384	engineered mutation
Ser 393	Thr 393	engineered mutation
Val 402	Ile 402	engineered mutation
Lys 403	Arg 403	engineered mutation
Asp 406	Glu 406	engineered mutation
Val 417	Lys 417	engineered mutation
Met 430	Thr 430	engineered mutation
Leu 434	Ile 434	engineered mutation
Thr 438	Ser 438	engineered mutation
Arg 439	Asn 439	engineered mutation
Ile 441	Leu 441	engineered mutation
Ala 443	Ser 443	engineered mutation
Thr 444	Lys 444	variant
Ser 445	Val 445	engineered mutation
Thr 446	Gly 446	engineered mutation
Lys 452	Leu 452	engineered mutation
Asn 519	His 519	engineered mutation
Leu 529	Lys 529	engineered mutation
Asp 532	Asn 532	engineered mutation
Ile 534	Val 534	engineered mutation
Ser 536	Asn 536	engineered mutation
Gly 537	-	expression tag
Glu 538	-	expression tag
Asn 539	-	expression tag
Leu 540	-	expression tag
Tyr 541	-	expression tag
Phe 542	-	expression tag
Gln 543	-	expression tag
Gly 544	-	expression tag
His 545	-	expression tag
His 546	-	expression tag
His 547	-	expression tag
His 548	-	expression tag
His 549	-	expression tag
His 550	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	192365.7
Branched	Number of molecules	7
	Total formula weight	4341.0
Non-Polymers*	Number of molecules	8
	Total formula weight	768.3
All*	Total formula weight	197475.0

*Water molecules are not included.