4hma Summary details

pdbe.org/4hma/summary_details
spacer Crystal structure of an MMP twin carboxylate based inhibitor LC20 in complex with the MMP-9 catalytic domain
Summary
Header Hydrolase/Hydrolase Inhibitorsearch
Method X-RAY DIFFRACTION
Experiment Resolution: 1.94 Å, R-factor: 21.439%, Free R-factor: 28.302%, Spacegroup: P 21 21 2
Released 24/04/2013, deposition: 18/10/2012, last revision: 01/05/2013
Authors Stura, E.A.search; Antoni, C.search; Vera, L.search; Nuti, E.search; Carafa, L.search; Cassar-Lajeunesse, E.search; Dive, V.search; Rossello, A.search
Primary citation Powerful twin carboxylic inhibitors for MMP homodimerisation.
To be Published
Keywords HYDROLASE/TWIN INHIBITORsearch, Zincin-likesearch, Gelatinasesearch, Collagenase (Catalytic Domain)search, Hydrolase-Hydrolase Inhibitor complexsearch
EC 3.4.24.35 ExPASy BRENDA search (A B)
Organism Homo sapiens(human) 9606search(A B)
UniProt P14780search (A B)
Solvent A, B
Related entries 4h2e, 4h1q, 4h82, 4h3x, 4h30
Polymers
Chain Id Name Type UniProt Residues in sample sequence % of sample sequence observed
A, B Matrix metalloproteinase-9 Protein P14780 (MMP9_HUMAN)search
160 100%
Heterogens
Chain Id Name Ligands
A, B ZINC ION ZN search
A, B CALCIUM ION CA search
A N,N'-BIS(2-[(BIPHENYL-4YLSULFONYL)[(2R)-1-HYDROXY-3-METHYL-1-OXOBUTAN-2-YL]-AMINO]ETHYL)BENZENE-1,3-DICARBOXAMIDE 0ZD search
A, B GLYCEROL GOL search
A, B S-1,2-PROPANEDIOL PGO search
A, B DI(HYDROXYETHYL)ETHER PEG search
B D-MALATE MLT search
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