8WDS

Crystal structure of BF.7 RBD complexed with human ACE2

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C	Angiotensin-converting enzyme 2	polymer	805	92556.7	2	UniProt (Q9BYF1) In PDB	Homo sapiens (human)
2	B, D	Spike protein S1	polymer	247	27899.8	2	UniProt (P0DTC2) In PDB	Severe acute respiratory syndrome coronavirus 2
3	E	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	1	In PDB GlyTouCan (G42666HT)
4	F	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)
5	A, C	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
6	A, B, C	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	7	Chemie (NAG)

Sequence modifications

B, D: 319 - 541 (UniProt: P0DTC2)

PDB	External Database	Details
Met 301	-	initiating methionine
His 302	-	expression tag
Ser 303	-	expression tag
Ser 304	-	expression tag
Ala 305	-	expression tag
Leu 306	-	expression tag
Leu 307	-	expression tag
Cys 308	-	expression tag
Cys 309	-	expression tag
Leu 310	-	expression tag
Val 311	-	expression tag
Leu 312	-	expression tag
Leu 313	-	expression tag
Thr 314	-	expression tag
Gly 315	-	expression tag
Val 316	-	expression tag
Arg 317	-	expression tag
Ala 318	-	expression tag
Asp 339	Gly 339	variant
Thr 346	Arg 346	variant
Phe 371	Ser 371	variant
Pro 373	Ser 373	variant
Phe 375	Ser 375	variant
Ala 376	Thr 376	variant
Asn 405	Asp 405	variant
Ser 408	Arg 408	variant
Asn 417	Lys 417	variant
Lys 440	Asn 440	variant
Arg 452	Leu 452	variant
Asn 477	Ser 477	variant
Lys 478	Thr 478	variant
Ala 484	Glu 484	variant
Val 486	Phe 486	variant
Arg 498	Gln 498	variant
Tyr 501	Asn 501	variant
His 505	Tyr 505	variant
His 542	-	expression tag
His 543	-	expression tag
His 544	-	expression tag
His 545	-	expression tag
His 546	-	expression tag
His 547	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	240913.0
Branched	Number of molecules	2
	Total formula weight	1010.9
Non-Polymers*	Number of molecules	9
	Total formula weight	1679.3
All*	Total formula weight	243603.2

*Water molecules are not included.