8CGP

Insulin regulated aminopeptidase (IRAP) in complex with an allosteric aryl sulfonamide inhibitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Leucyl-cystinyl aminopeptidase, pregnancy serum form	polymer	873	100398.2	2	UniProt (Q9UIQ6) Pfam (PF17900) Pfam (PF01433) Pfam (PF11838) In PDB	Homo sapiens (human)
2	C	alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]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		1073.0	1	In PDB GlyTouCan (G94106MV)
3	D, E, F, G, J...	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	9	In PDB GlyTouCan (G42666HT)
4	H	alpha-D-mannopyranose-(1-6)-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 (G94626GC)
5	I	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)
6	L, N, O, Q, T	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		586.5	5	In PDB GlyTouCan (G15407YE)
7	M	alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)-[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		1073.0	1	In PDB GlyTouCan (G34442SS)
8	P	alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)-[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		1073.0	1	In PDB GlyTouCan (G09724ZC)
9	B, A	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	7	Chemie (NAG)
10	B, A	D-MALATE	non-polymer		134.1	2	Chemie (MLT)
11	B, A	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
12	A, B	4-bromanyl-5-chloranyl-~{N}-[3-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]thiophene-2-sulfonamide	non-polymer		420.7	2	Chemie (UKG)
13	A, B	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	2	Chemie (PEG)
14	A, B	1,2-ETHANEDIOL	non-polymer		62.1	4	Chemie (EDO)
15		water	water		18.0	212	Chemie (HOH)

Sequence modifications

A, B: 155 - 1025 (UniProt: Q9UIQ6)

PDB	External Database	Details
Arg 1026	-	expression tag
Thr 1027	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	200796.4
Branched	Number of molecules	19
	Total formula weight	11792.9
Non-Polymers*	Number of molecules	19
	Total formula weight	3249.3
All*	Total formula weight	215838.6

*Water molecules are not included.