Brand  (β version)

PDB ID: 4HMA

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

Code : 4HMA   PDBj   RCSB PDB   PDBe
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

PubMed: 23567804
DOI: 10.1016/j.jsb.2013.03.015

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

PubMed: 15837315
DOI: 10.1016/j.bmcl.2005.03.002

Reaction

Chain : A, B
UniProt : P14780 (MMP9_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
Cleavage of gelatin types I and V and collagen types IV and V. 3.4.24.35 PubMed:1480034
-
Cofactor: Evidence: Note:
Zn(2+) ECO:0000269 | PubMed:12051944
Binds 2 Zn(2+) ions per subunit.
Ca(2+) ECO:0000269 | PubMed:12051944
Binds 3 Ca(2+) ions per subunit.