7UAF

Human meprin alpha inhibitory complex with compound 10d (N~3~,N~3~-bis[(2H-1,3-benzodioxol-5-yl)methyl]-N-hydroxy-beta-alaninamide)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	B, A, C, D	Meprin A subunit alpha	polymer	587	67285.8	4	UniProt (Q16819) Pfam (PF01400) Pfam (PF00629) Pfam (PF21355) In PDB	Homo sapiens (human)	Endopeptidase-2,N-benzoyl-L-tyrosyl-P-amino-benzoic acid hydrolase subunit alpha,PABA peptide hydrolase,PPH alpha
2	E, G, J, L, M...	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	8	In PDB GlyTouCan (G42666HT)
3	F, I	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		627.6	2	In PDB GlyTouCan (G47362BJ)
4	H, K, O, R	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		732.7	4	In PDB GlyTouCan (G32152BH)
5	C, D, B, A	N~3~,N~3~-bis[(2H-1,3-benzodioxol-5-yl)methyl]-N-hydroxy-beta-alaninamide	non-polymer		372.4	4	Chemie (M6X)
6	A, C, D, B	CALCIUM ION	non-polymer		40.1	8	Chemie (CA)
7	C, D, B, A	ZINC ION	non-polymer		65.4	4	Chemie (ZN)
8	A, C, D, B	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	4	Chemie (NAG)

Sequence modifications

B, A, C, D: 22 - 600 (UniProt: Q16819)

PDB	External Database	Details
Trp 14	-	expression tag
Ser 15	-	expression tag
His 16	-	expression tag
Pro 17	-	expression tag
Gln 18	-	expression tag
Phe 19	-	expression tag
Glu 20	-	expression tag
Lys 21	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	269143.3
Branched	Number of molecules	14
	Total formula weight	7581.1
Non-Polymers*	Number of molecules	20
	Total formula weight	2956.6
All*	Total formula weight	279681.0

*Water molecules are not included.