7A91

Dissociated S1 domain of SARS-CoV-2 Spike bound to ACE2 (Non-Uniform Refinement)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	D	Angiotensin-converting enzyme 2	polymer	654	75337.4	1	UniProt (Q9BYF1) Pfam (PF01401) In PDB	Homo sapiens (Human)	Angiotensin-converting enzyme homolog,ACEH,Angiotensin-converting enzyme-related carboxypeptidase,ACE-related carboxypeptidase,Metalloprotease MPROT15
2	A	Spike glycoprotein	polymer	716	79811.1	1	UniProt (P0DTC2) Pfam (PF16451) Pfam (PF09408) Pfam (PF19209) In PDB	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV)	S glycoprotein,E2,Peplomer protein
3	J	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	D, A	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	7	Chemie (NAG)
5	D	ZINC ION	non-polymer		65.4	1	Chemie (ZN)

Sequence modifications

D: 19 - 613 (UniProt: Q9BYF1)

PDB	External Database	Details
Met -1	-	initiating methionine
Glu 0	-	expression tag
Thr 1	-	expression tag
Asp 2	-	expression tag
Thr 3	-	expression tag
Leu 4	-	expression tag
Leu 5	-	expression tag
Leu 6	-	expression tag
Trp 7	-	expression tag
Val 8	-	expression tag
Leu 9	-	expression tag
Leu 10	-	expression tag
Leu 11	-	expression tag
Trp 12	-	expression tag
Val 13	-	expression tag
Pro 14	-	expression tag
Gly 15	-	expression tag
Ser 16	-	expression tag
Thr 17	-	expression tag
Gly 18	-	expression tag
Ala 614	-	expression tag
Asp 615	-	expression tag
Asp 616	-	expression tag
Tyr 617	-	expression tag
Lys 618	-	expression tag
Asp 619	-	expression tag
Asp 620	-	expression tag
Asp 621	-	expression tag
Asp 622	-	expression tag
Lys 623	-	expression tag
Trp 624	-	expression tag
Ser 625	-	expression tag
His 626	-	expression tag
Pro 627	-	expression tag
Gln 628	-	expression tag
Phe 629	-	expression tag
Glu 630	-	expression tag
Lys 631	-	expression tag
Gly 632	-	expression tag
Gly 633	-	expression tag
Gly 634	-	expression tag
Ser 635	-	expression tag
Gly 636	-	expression tag
Gly 637	-	expression tag
Gly 638	-	expression tag
Ser 639	-	expression tag
Gly 640	-	expression tag
Gly 641	-	expression tag
Ser 642	-	expression tag
Ser 643	-	expression tag
Ala 644	-	expression tag
Trp 645	-	expression tag
Ser 646	-	expression tag
His 647	-	expression tag
Pro 648	-	expression tag
Gln 649	-	expression tag
Phe 650	-	expression tag
Glu 651	-	expression tag
Lys 652	-	expression tag

A: 1 - 685 (UniProt: P0DTC2)

PDB	External Database	Details
Met -30	-	initiating methionine
Gly -29	-	expression tag
Ile -28	-	expression tag
Leu -27	-	expression tag
Pro -26	-	expression tag
Ser -25	-	expression tag
Pro -24	-	expression tag
Gly -23	-	expression tag
Met -22	-	expression tag
Pro -21	-	expression tag
Ala -20	-	expression tag
Leu -19	-	expression tag
Leu -18	-	expression tag
Ser -17	-	expression tag
Leu -16	-	expression tag
Val -15	-	expression tag
Ser -14	-	expression tag
Leu -13	-	expression tag
Leu -12	-	expression tag
Ser -11	-	expression tag
Val -10	-	expression tag
Leu -9	-	expression tag
Leu -8	-	expression tag
Met -7	-	expression tag
Gly -6	-	expression tag
Cys -5	-	expression tag
Val -4	-	expression tag
Ala -3	-	expression tag
Glu -2	-	expression tag
Thr -1	-	expression tag
Gly 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	155148.5
Branched	Number of molecules	1
	Total formula weight	424.4
Non-Polymers*	Number of molecules	8
	Total formula weight	1613.9
All*	Total formula weight	157186.8

*Water molecules are not included.