7SH0

CRYSTAL STRUCTURE OF ENDOPLASMIC RETICULUM AMINOPEPTIDASE 2 (ERAP2) COMPLEX WITH A HIGHLY SELECTIVE AND POTENT SMALL MOLECULE

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Endoplasmic reticulum aminopeptidase 2	polymer	967	111563.4	2	UniProt (Q6P179) Pfam (PF17900) Pfam (PF01433) Pfam (PF11838) In PDB	Homo sapiens (human)	Leukocyte-derived arginine aminopeptidase,L-RAP
2	A, B	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
3	A, B	(2S)-N-hydroxy-3-(4-methoxyphenyl)-2-[4-({[5-(pyridin-2-yl)thiophene-2-sulfonyl]amino}methyl)-1H-1,2,3-triazol-1-yl]propanamide	non-polymer		514.6	2	Chemie (GIY)
4	A	4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID	non-polymer		238.3	1	Chemie (EPE)
5	A, B	2-(N-MORPHOLINO)-ETHANESULFONIC ACID	non-polymer		195.2	4	Chemie (MES)
6	A	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
7		water	water		18.0	7	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
His 963	-	expression tag
His 964	-	expression tag
His 965	-	expression tag
His 966	-	expression tag
His 967	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	223126.8
Non-Polymers*	Number of molecules	10
	Total formula weight	2202.2
All*	Total formula weight	225329.1

*Water molecules are not included.