8DF5

SARS-CoV-2 Beta RBD in complex with human ACE2 and S304 Fab and S309 Fab

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C	S309 Fab Heavy Chain	polymer	230	24573.5	2		Homo sapiens
2	B, D	S309 Fab Light Chain	polymer	214	23204.7	2		Homo sapiens
3	E, F	Angiotensin-converting enzyme 2	polymer	805	92556.7	2	UniProt (Q9BYF1) Pfam (PF01401) Pfam (PF16959) In PDB	Homo sapiens (human)	Angiotensin-converting enzyme homolog,ACEH,Angiotensin-converting enzyme-related carboxypeptidase,ACE-related carboxypeptidase,Metalloprotease MPROT15
4	H, M	S304 Fab Heavy Chain	polymer	223	23712.4	2		Homo sapiens
5	L, N	S304 Fab Light Chain	polymer	215	23369.9	2		Homo sapiens
6	R, S	Spike protein S1	polymer	263	29343.1	2	UniProt (P0DTC2) Pfam (PF09408) In PDB	Severe acute respiratory syndrome coronavirus 2
7	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)
8	S, D, F, E, L...	1,2-ETHANEDIOL	non-polymer		62.1	30	Chemie (EDO)
9	C, R, S, D, F...	CHLORIDE ION	non-polymer		35.5	22	Chemie (CL)
10	E, F	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
11	F, E, R	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	13	Chemie (NAG)
12		water	water		18.0	1017	Chemie (HOH)

Sequence modifications

R, S: 328 - 529 (UniProt: P0DTC2)

PDB	External Database	Details
Met 296	-	expression tag
Gly 297	-	expression tag
Ile 298	-	expression tag
Leu 299	-	expression tag
Pro 300	-	expression tag
Ser 301	-	expression tag
Pro 302	-	expression tag
Gly 303	-	expression tag
Met 304	-	expression tag
Pro 305	-	expression tag
Ala 306	-	expression tag
Leu 307	-	expression tag
Leu 308	-	expression tag
Ser 309	-	expression tag
Leu 310	-	expression tag
Val 311	-	expression tag
Ser 312	-	expression tag
Leu 313	-	expression tag
Leu 314	-	expression tag
Ser 315	-	expression tag
Val 316	-	expression tag
Leu 317	-	expression tag
Leu 318	-	expression tag
Met 319	-	expression tag
Gly 320	-	expression tag
Cys 321	-	expression tag
Val 322	-	expression tag
Ala 323	-	expression tag
Glu 324	-	expression tag
Thr 325	-	expression tag
Gly 326	-	expression tag
Thr 327	-	expression tag
Asn 417	Lys 417	conflict
Lys 484	Glu 484	conflict
Tyr 501	Asn 501	conflict
Ser 530	-	expression tag
Thr 531	-	expression tag
His 532	-	expression tag
His 533	-	expression tag
His 534	-	expression tag
His 535	-	expression tag
His 536	-	expression tag
His 537	-	expression tag
His 538	-	expression tag
His 539	-	expression tag
Gly 540	-	expression tag
Gly 541	-	expression tag
Ser 542	-	expression tag
Ser 543	-	expression tag
Gly 544	-	expression tag
Leu 545	-	expression tag
Asn 546	-	expression tag
Asp 547	-	expression tag
Ile 548	-	expression tag
Phe 549	-	expression tag
Glu 550	-	expression tag
Ala 551	-	expression tag
Gln 552	-	expression tag
Lys 553	-	expression tag
Ile 554	-	expression tag
Glu 555	-	expression tag
Trp 556	-	expression tag
His 557	-	expression tag
Glu 558	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	12
	Total formula weight	433520.7
Branched	Number of molecules	2
	Total formula weight	848.8
Non-Polymers*	Number of molecules	67
	Total formula weight	5648.5
All*	Total formula weight	440018.0

*Water molecules are not included.