4h1q Summary details

pdbe.org/4h1q/summary_details
spacer Crystal structure of mutant MMP-9 catalytic domain in complex with a twin inhibitor.
Summary
Header HYDROLASE/HYDROLASE inhibitorsearch
Method X-RAY DIFFRACTION
Experiment Resolution: 1.59 Å, R-factor: 17.2%, Free R-factor: 21.1%, Spacegroup: P 1 21 1
Released 24/04/2013, deposition: 11/09/2012, last revision: 01/05/2013
Authors Stura, E.A.search; Vera, L.search; Cassar-Lajeunesse, E.search; Nuti, E.search; Catalani, M.P.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 2ow1, 4h3x, 4h2e, 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, B N-(4-{[(3R)-3-[(BIPHENYL-4-YLSULFONYL)(PROPAN-2-YLOXY)AMINO]-4-(HYDROXYAMINO)-4-OXOBUTYL]AMINO}-4-OXOBUTYL)-N'-(4-{[(3S)-3-[(BIPHENYL-4-YLSULFONYL)(PROPAN-2-YLOXY)AMINO]-4-(HYDROXYAMINO)-4-OXOBUTYL]AMINO}-4-OXOBUTYL)BENZENE-1,3-DICARBOXAMIDE 0XX search
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