2YIG

MMP13 in complex with a novel selective non zinc binding 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 (A, B)	COLLAGENASE 3	polymer	171	19235.4	2	UniProt (P45452) Pfam (PF00413)	HOMO SAPIENS (HUMAN)	MATRIX METALLOPROTEINASE-13, MMP-13
2	C, J (A, B)	4-(4-{[(3S)-3-HYDROXY-1-AZABICYCLO[2.2.2]OCT-3-YL]ETHYNYL}PHENOXY)-N-(PYRIDIN-4-YLMETHYL)BENZAMIDE	non-polymer		453.5	2	Chemie (5EL)
3	D, F, K, L (A, B)	ZINC ION	non-polymer		65.4	4	Chemie (ZN)
4	E, G, M, N (A, B)	CALCIUM ION	non-polymer		40.1	4	Chemie (CA)
5	H, I, O (A, B)	SODIUM ION	non-polymer		23.0	3	Chemie (NA)
6	P, Q (A, B)	water	water		18.0	297	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	38470.8
Non-Polymers*	Number of molecules	13
	Total formula weight	1398.0
All*	Total formula weight	39868.7

*Water molecules are not included.