9VA2

Structure of the ACE2-B0AT1 bound with Phenylalanine

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)	Angiotensin-converting enzyme 2	polymer	808	93504.6	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
2	B, D (B, D)	Sodium-dependent neutral amino acid transporter B(0)AT1	polymer	652	73087.1	2	UniProt (Q695T7) Pfam (PF00209)	Homo sapiens (human)	Solute carrier family 6 member 19,System B(0) neutral amino acid transporter AT1
3	E, F, G, H (H, J, N, S)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	4	In PDB GlyTouCan (G42666HT)
4	I, J, K, L, M... (A, B, C, D)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	12	Chemie (NAG) PubChem (24139)
5	O, V (B, D)	PHENYLALANINE	non-polymer		165.2	2	Chemie (PHE) PubChem (6140)

Sequence modifications

A, C: 18 - 805 (UniProt: Q9BYF1)

PDB	External Database	Details
Trp 10	-	expression tag
Ser 11	-	expression tag
His 12	-	expression tag
Pro 13	-	expression tag
Gln 14	-	expression tag
Phe 15	-	expression tag
Glu 16	-	expression tag
Lys 17	-	expression tag
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: 2 - 634 (UniProt: Q695T7)

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

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	333183.3
Branched	Number of molecules	4
	Total formula weight	1697.6
Non-Polymers*	Number of molecules	14
	Total formula weight	2984.9
All*	Total formula weight	337865.8

*Water molecules are not included.