4h3x Summary details

pdbe.org/4h3x/summary_details
spacer Crystal structure of an MMP broad spectrum hydroxamate based inhibitor CC27 in complex with the MMP-9 catalytic domain
Summary
Header HYDROLASE/HYDROLASE Inhibitorsearch
Method X-RAY DIFFRACTION
Experiment Resolution: 1.764 Å, R-factor: 19.93%, Free R-factor: 25.41%, Spacegroup: P 1 21 1
Released 24/04/2013, deposition: 14/09/2012, last revision: 01/05/2013
Authors Stura, E.A.search; Vera, L.search; Cassar-Lajeunesse, E.search; Nuti, E.search; Dive, V.search; Rossello, A.search
Primary citation Powerful twin carboxylic inhibitors for MMP homodimerisation.
To be Published
Keywords HYDROLASE/HYDROXAMATE INHIBITORsearch, Zincin-likesearch, Gelatinasesearch, Collagenase (Catalytic Domain)search, HYDROLASE-HYDROLASE Inhibitor complexsearch
EC 3.4.24.35 ExPASy BRENDA search (B A)
Organism Homo sapiens(human) 9606search(A B)
UniProt P14780search (A B)
Solvent A, B
Related entries 4h1q, 4h2e, 2ow1
Polymers
Chain Id Name Type UniProt Residues in sample sequence % of sample sequence observed
A, B human MMP-9 catalytic domain wild-type Protein P14780 (MMP9_HUMAN)search
164 100%
Heterogens
Chain Id Name Ligands
A, B ZINC ION ZN search
A, B CALCIUM ION CA search
A, B N-2-(BIPHENYL-4-YLSULFONYL)-N-2-(ISOPROPYLOXY)-ACETOHYDROXAMIC ACID 10B search
A, B GLYCEROL GOL search
A S-1,2-PROPANEDIOL PGO search
B DI(HYDROXYETHYL)ETHER PEG search
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