9KXU

Structure of human B0AT1-ACE2 complex with compound 2

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Sodium-dependent neutral amino acid transporter B(0)AT1	polymer	654	73289.4	1	UniProt (Q695T7) Pfam (PF00209)	Homo sapiens (human)	Solute carrier family 6 member 19,System B(0) neutral amino acid transporter AT1
2	B (B)	Angiotensin-converting enzyme 2	polymer	806	92713.9	1	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	C (C)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	1	In PDB GlyTouCan (G42666HT)
4	D (A)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	1	Chemie (NAG)
5	E (A)	(~{E})-~{N}-[2-(dimethylamino)-2-oxidanylidene-ethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide	non-polymer		300.3	1	Chemie (A1L6V)

Sequence modifications

A: 2 - 634 (UniProt: Q695T7)

PDB	External Database	Details
Met -19	-	initiating methionine
Ala -18	-	expression tag
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

B: 2 - 805 (UniProt: Q9BYF1)

PDB	External Database	Details
Met 0	-	initiating methionine
Arg 1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	166003.3
Branched	Number of molecules	1
	Total formula weight	424.4
Non-Polymers*	Number of molecules	2
	Total formula weight	521.5
All*	Total formula weight	166949.1

*Water molecules are not included.