Het-PDB Navi2 (PDB: 4HMA)

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Ligands
Code	Name	Link
CA	Calcium ion	PoSSuM
ZN	Zinc ion	PoSSuM
0ZD	N,N'-bis(2-[(biphenyl-4ylsulfonyl)[(2r)-1-hydroxy-3-methyl-1-oxobutan-2-yl]-amino]ethyl)benzene-1,3-dicarboxamide	PoSSuM
GOL	Glycerol	PoSSuM
MLT	D-malate	PoSSuM
PEG	Di(hydroxyethyl)ether	PoSSuM
PGO	S-1,2-propanediol	PoSSuM

Download interaction data: 4HMA

Code :

Header :

Hydrolase/Hydrolase Inhibitor

Title :

Crystal structure of an MMP twin carboxylate based inhibitor LC20 in complex with the MMP-9 catalytic domain

Release Data :

2013-04-24

Compound :

mol_id	molecule	chains	synonym
1	Matrix metalloproteinase-9	A,B	MMP-9, 92 kDa gelatinase, 92 kDa type IV collagenase, Gelatinase B, GELB, 67 kDa matrix metalloproteinase-9, 82 kDa matrix metalloproteinase-9
	ec: 3.4.24.35 fragment: MMP-9 catalytic domain 107-215,391-443 mutation: V391Q E402Q

Source :

mol_id	organism_scientific	organism_common	expression_system
1	Homo sapiens (taxid:9606)	Human	Escherichia coli (taxid:562)
	gene: CLG4B, MMP9 expression_system_strain: BL21 (DE3 star) expression_system_vector_type: PT7 promoter expression_system_plasmid: pET-14b

Authors :

Stura, E.A., Antoni, C., Vera, L., Nuti, E., Carafa, L., Cassar-Lajeunesse, E., Dive, V., Rossello, A.

Keywords :

HYDROLASE/TWIN INHIBITOR, Zincin-like, Gelatinase, Collagenase (Catalytic Domain), Hydrolase-Hydrolase Inhibitor complex

Exp. method :

X-RAY DIFFRACTION ( 1.94 Å )

Citation :

Crystallization of bi-functional ligand protein complexes.

Antoni, C.,Vera, L.,Devel, L. et al.
(2013) J.Struct.Biol. 182 : 246 - 254

A new development of matrix metalloproteinase inhibitors: twin hydroxamic acids as potent inhibitors of MMPs.

Rossello, A.,Nuti, E.,Catalani, M.P. et al.
(2005) Bioorg.Med.Chem.Lett. 15 : 2311 - 2314

Chain :	A, B
UniProt :	P14780 (MMP9_HUMAN)
Reaction :	Cleavage of gelatin types I and V and collagen types IV and V.

PDB ID: 4HMA