7Y76

SIT1-ACE2-BA.5 RBD

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	B, D	SIT1	polymer	613	68224.8	2	UniProt (Q9NP91) Pfam (PF00209) In PDB	Homo sapiens (human)
2	A, C	Angiotensin-converting enzyme 2	polymer	826	95379.8	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
3	E, F	Spike protein S1	polymer	252	28492.4	2	UniProt (P0DTC2) Pfam (PF09408) In PDB	Severe acute respiratory syndrome coronavirus 2
4	G, H, I, J, K...	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	16	In PDB GlyTouCan (G42666HT)
5	A, D, C, B	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	6	Chemie (NAG)
6	B, D	1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE	non-polymer		705.0	6	Chemie (3PH)
7	A, C	ZINC ION	non-polymer		65.4	2	Chemie (ZN)

Sequence modifications

B, D: 1 - 592 (UniProt: Q9NP91)

PDB	External Database	Details
Met -20	-	initiating methionine
Ala -19	-	expression tag
Asp -18	-	expression tag
Tyr -17	-	expression tag
Lys -16	-	expression tag
Asp -15	-	expression tag
Asp -14	-	expression tag
Asp -13	-	expression tag
Asp -12	-	expression tag
Lys -11	-	expression tag
Ser -10	-	expression tag
Gly -9	-	expression tag
Pro -8	-	expression tag
Asp -7	-	expression tag
Glu -6	-	expression tag
Val -5	-	expression tag
Asp -4	-	expression tag
Ala -3	-	expression tag
Ser -2	-	expression tag
Gly -1	-	expression tag
Arg 0	-	expression tag

A, C: -6 - 805 (UniProt: Q9BYF1)

PDB	External Database	Details
Met -8	-	initiating methionine
Arg -7	-	expression tag
Trp 10	-	insertion
Ser 11	-	insertion
His 12	-	insertion
Pro 13	-	insertion
Gln 14	-	insertion
Phe 15	-	insertion
Glu 16	-	insertion
Lys 17	-	insertion
Leu 806	-	expression tag
Glu 807	-	expression tag
His 808	-	expression tag
His 809	-	expression tag
His 810	-	expression tag
His 811	-	expression tag
His 812	-	expression tag
His 813	-	expression tag
His 814	-	expression tag
His 815	-	expression tag
His 816	-	expression tag
His 817	-	expression tag

E, F: 319 - 541 (UniProt: P0DTC2)

PDB	External Database	Details
Met 300	-	initiating methionine
Gly 301	-	expression tag
Val 302	-	expression tag
Lys 303	-	expression tag
Val 304	-	expression tag
Leu 305	-	expression tag
Phe 306	-	expression tag
Ala 307	-	expression tag
Leu 308	-	expression tag
Ile 309	-	expression tag
Cys 310	-	expression tag
Ile 311	-	expression tag
Ala 312	-	expression tag
Val 313	-	expression tag
Ala 314	-	expression tag
Glu 315	-	expression tag
Ala 316	-	expression tag
Gly 317	-	expression tag
Thr 318	-	expression tag
Asp 339	Gly 339	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
Leu 542	-	expression tag
Glu 543	-	expression tag
His 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
His 551	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	384194.2
Branched	Number of molecules	16
	Total formula weight	6790.4
Non-Polymers*	Number of molecules	14
	Total formula weight	5688.1
All*	Total formula weight	396672.7

*Water molecules are not included.