7AQ1

Crystal structure of human mature meprin beta in complex with the specific inhibitor MWT-S-270

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Meprin B subunit beta	polymer	534	60788.4	2	UniProt (Q16820) Pfam (PF01400) Pfam (PF00629) Pfam (PF21355) In PDB	Homo sapiens (Human)	Endopeptidase-2,Meprin B,N-benzoyl-L-tyrosyl-P-amino-benzoic acid hydrolase subunit beta,PABA peptide hydrolase,PPH beta
2	H, K	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	2	In PDB GlyTouCan (G42666HT)
3	I	alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-2)-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		1559.4	1	In PDB GlyTouCan (G83161QT)
4	L	alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[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		1397.2	1	In PDB GlyTouCan (G61846BY)
5	A, B	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
6	A, B	1,2-ETHANEDIOL	non-polymer		62.1	5	Chemie (EDO)
7	A, B	3-[[(3-Carboxyphenyl)methyl-[2-(hydroxyamino)-2-oxoethyl]amino]methyl]benzoic acid	non-polymer		358.3	2	Chemie (RUE)
8	A, B	CALCIUM ION	non-polymer		40.1	4	Chemie (CA)
9	A, B	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
10	A, B	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	5	Chemie (NAG)
11		water	water		18.0	417	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	121576.8
Branched	Number of molecules	4
	Total formula weight	3805.4
Non-Polymers*	Number of molecules	20
	Total formula weight	2495.1
All*	Total formula weight	127877.3

*Water molecules are not included.