4JIJ

Crystal structure of an inactive mutant of MMP-9 catalytic domain in complex with a fluorogenic synthetic peptidic substrate

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C (P, Q)	fluorogenic peptidic substrate (8MC)PLG(PHI)(DNW)AR(NH2)	polymer	9	1253.1	2
2	B, D (A, B)	Matrix metalloproteinase-9	polymer	164	18280.3	2	UniProt (P14780) Pfam (PF00413)	Homo sapiens (human)	MMP-9, 92 kDa gelatinase, 92 kDa type IV collagenase, Gelatinase B, GELB, 67 kDa matrix metalloproteinase-9, 82 kDa matrix metalloproteinase-9
3	E, P (A, Q)	AZIDE ION	non-polymer		42.0	2	Chemie (AZI)
4	F, G, Q, R (A, B)	ZINC ION	non-polymer		65.4	4	Chemie (ZN)
5	H, S (A, B)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
6	I, J, T, U (A, B)	STRONTIUM ION	non-polymer		87.6	4	Chemie (SR)
7	K, V (A, B)	S-1,2-PROPANEDIOL	non-polymer		76.1	2	Chemie (PGO)
8	L, M, W, X (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	4	Chemie (EDO)
9	N (A)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
10	O, Y (A, B)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
11	AA, BA, CA, Z (A, Q, B, P)	water	water		18.0	410	Chemie (HOH)

Sequence modifications

A, B: 107 - 216 (UniProt: P14780)
A, B: 217 - 269 (UniProt: P14780)

PDB	External Database	Details
Ala 227	Glu 402	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	39066.7
Non-Polymers*	Number of molecules	21
	Total formula weight	1467.1
All*	Total formula weight	40533.8

*Water molecules are not included.