8WBZ

Cryo-EM structure of ACE2-B0AT1 complex with JX225

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, D (A, D)	Sodium-dependent neutral amino acid transporter B(0)AT1	polymer	651	72929.9	2	UniProt (Q695T7) Pfam (PF00209)	Homo sapiens (human)
2	B, C (B, C)	Angiotensin-converting enzyme 2	polymer	817	94180.5	2	UniProt (Q9BYF1) Pfam (PF01401) Pfam (PF16959)	Homo sapiens (human)
3	E, F, G, H, I... (E, K, L, S, T...)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	16	In PDB GlyTouCan (G42666HT)
4	AA, U, V, X, Y... (D, A, B, C)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	6	Chemie (NAG)
5	BA, W (D, A)	2-(4-bromanyl-3-methyl-phenoxy)-~{N}-propyl-ethanamide	non-polymer		286.2	2	Chemie (XF0)

Sequence modifications

A, D: 2 - 634 (UniProt: Q695T7)

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

B, C: 1 - 805 (UniProt: Q9BYF1)

PDB	External Database	Details
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

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	334220.7
Branched	Number of molecules	16
	Total formula weight	6790.4
Non-Polymers*	Number of molecules	8
	Total formula weight	1899.6
All*	Total formula weight	342910.7

*Water molecules are not included.