8WM3

Cryo-EM structure of ACE2-SIT1 complex with tiagabine

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C (A, C)	Sodium- and chloride-dependent transporter XTRP3	polymer	611	68010.5	2	UniProt (Q9NP91) Pfam (PF00209)	Homo sapiens (human)
2	B, D (B, D)	Angiotensin-converting enzyme 2	polymer	817	94166.4	2	UniProt (Q9BYF1) Pfam (PF01401) Pfam (PF16959)	Homo sapiens (human)	Angiotensin-converting enzyme homolog,ACEH,Angiotensin-converting enzyme-related carboxypeptidase,ACE-related carboxypeptidase,Metalloprotease MPROT15
3	E, F, G, H, I... (E, F, G, H, I...)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	12	In PDB GlyTouCan (G42666HT)
4	Q, S, T, V (A, B, C, D)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	4	Chemie (NAG)
5	R, U (A, C)	Tiagabine	non-polymer		375.5	2	Chemie (TGI)

Sequence modifications

A, C: 1 - 592 (UniProt: Q9NP91)

PDB	External Database	Details
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
Thr 19	Ile 19	conflict

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

PDB	External Database	Details
Ser 20	Thr 20	conflict
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	324353.8
Branched	Number of molecules	12
	Total formula weight	5092.8
Non-Polymers*	Number of molecules	6
	Total formula weight	1635.9
All*	Total formula weight	331082.6

*Water molecules are not included.