7P7P

Crystal structure of ERAP2 aminopeptidase in complex with phosphinic pseudotripeptide((1R)-1-Amino-3-phenylpropyl){(2S)-3-[((2S)-1-amino-1-oxo-3-phenylpropan-2-yl)amino]-2-{[3-(2-hydroxyphenyl)-isoxazol-5-yl]methyl}-3-oxopropyl}phosphinic acid

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Endoplasmic reticulum aminopeptidase 2	polymer	962	110872.7	2	UniProt (Q6P179) Pfam (PF17900) Pfam (PF01433) Pfam (PF11838)	Homo sapiens (Human)	Leukocyte-derived arginine aminopeptidase,L-RAP
2	C (C)	alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		748.7	1	In PDB GlyTouCan (G81315DD)
3	D (D)	alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		748.7	1	In PDB GlyTouCan (G22573RC)
4	E, H, I (E, H, I)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	3	In PDB GlyTouCan (G42666HT)
5	F (F)	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		586.5	1	In PDB GlyTouCan (G15407YE)
6	G (G)	alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		910.8	1	In PDB GlyTouCan (G22768VO)
7	CA, J (B, A)	[(2~{S})-3-[[(2~{S})-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-[[3-(2-hydroxyphenyl)-1,2-oxazol-5-yl]methyl]-3-oxidanylidene-propyl]-[(1~{R})-1-azanyl-3-phenyl-propyl]phosphinic acid	non-polymer		590.6	2	Chemie (62S)
8	DA, EA, FA, GA, HA... (B, A)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	10	Chemie (NAG)
9	O, P (A)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	2	Chemie (PEG)
10	Q (A)	TRIETHYLENE GLYCOL	non-polymer		150.2	1	Chemie (PGE)
11	R (A)	2-(N-MORPHOLINO)-ETHANESULFONIC ACID	non-polymer		195.2	1	Chemie (MES)
12	AA, S, T, V, X... (A)	1,2-ETHANEDIOL	non-polymer		62.1	7	Chemie (EDO)
13	JA, U (B, A)	1,3-PROPANDIOL	non-polymer		76.1	2	Chemie (PDO)
14	W (A)	IMIDAZOLE	non-polymer		69.1	1	Chemie (IMD)
15	BA, KA (A, B)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
16	LA, MA (A, B)	water	water		18.0	156	Chemie (HOH)

Sequence modifications

A, B: 1 - 960 (UniProt: Q6P179)

PDB	External Database	Details
Asn 392	Lys 392	variant
Arg 961	-	expression tag
His 962	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	221745.3
Branched	Number of molecules	7
	Total formula weight	4267.9
Non-Polymers*	Number of molecules	28
	Total formula weight	4737.5
All*	Total formula weight	230750.8

*Water molecules are not included.