8I91

ACE2-SIT1 complex bound with proline

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	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
2	B, D	SIT1	polymer	613	68224.8	2	UniProt (Q9NP91) Pfam (PF00209) In PDB	Homo sapiens (human)
3	E, F, G, H, I...	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	14	In PDB GlyTouCan (G42666HT)
4	D, A, B, C	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	4	Chemie (NAG)
5	A, C	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
6	B, D	PROLINE	non-polymer		115.1	2	Chemie (PRO)
7	D, B	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)

Sequence modifications

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

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

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	327209.3
Branched	Number of molecules	14
	Total formula weight	5941.6
Non-Polymers*	Number of molecules	10
	Total formula weight	1316.8
All*	Total formula weight	334467.7

*Water molecules are not included.