5B5P

Crystal structure of the catalytic domain of MMP-13 complexed with 4-oxo-N-(3-(2-(1H-1,2,4-triazol-3-ylsulfanyl)ethoxy)benzyl)-3,4-dihydroquinazoline-2-carboxamide

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)	Collagenase 3	polymer	172	19364.5	2	UniProt (P45452) Pfam (PF00413)	Homo sapiens (Human)	Matrix metalloproteinase-13,MMP-13
2	C, D, I, J (A, B)	ZINC ION	non-polymer		65.4	4	Chemie (ZN)
3	E, F, G, K, L... (A, B)	CALCIUM ION	non-polymer		40.1	6	Chemie (CA)
4	H, N (A, B)	4-oxo-N-{3-[2-(1H-1,2,4-triazol-3-ylsulfanyl)ethoxy]benzyl}-3,4-dihydroquinazoline-2-carboxamide	non-polymer		422.5	2	Chemie (WNN)
5	O, P (A, B)	water	water		18.0	398	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	38729.0
Non-Polymers*	Number of molecules	12
	Total formula weight	1347.0
All*	Total formula weight	40076.0

*Water molecules are not included.