4i03 Summary details

pdbe.org/4i03/summary_details
spacer Human MMP12 in complex with a PEG-linked bifunctional L-glutamate motif inhibitor
Summary
Header HYDROLASE/HYDROLASE INHIBITORsearch
Method X-RAY DIFFRACTION
Experiment Resolution: 1.7 Å, R-factor: 14.626%, Free R-factor: 19.397%, Spacegroup: C 1 2 1
Released 24/04/2013, deposition: 16/11/2012, last revision: 03/07/2013
Authors Stura, E.A.search; Vera, L.search; Devel, L.search; Cassar-Lajeunesse, E.search; Dive, V.search
Primary citation Crystallization of bi-functional ligand protein complexes.
J.STRUCT.BIOL.search vol:182, pag:246-254 (2013) [PubMed 23567804 ]search
Keywords selective carboxylate based MMP-12 bifunctional inhibitorsearch, METZINCINsearch, Zinc proteasesearch, HYDROLASE-HYDROLASE INHIBITOR complexsearch
EC 3.4.24.65 ExPASy BRENDA search (A)
Organism Homo sapiens(human) 9606search(A)
UniProt P39900search (A)
Solvent A
Related entries 4efs, 3ts4, 3tsk, 4h30, 4h49
Polymers
Chain Id Name Type UniProt Residues in sample sequence % of sample sequence observed
A Macrophage metalloelastase Protein P39900 (MMP12_HUMAN)search
159 100%
Heterogens
Chain Id Name Ligands
A ZINC ION ZN search
A CALCIUM ION CA search
A (4R,22R)-5,21-DIOXO-4,22-BIS({3-[4-(4-PHENYLTHIOPHEN-2-YL)PHENYL]PROPANOYL}AMINO)-10,13,16-TRIOXA-6,20-DIAZAPENTACOSANE-1,25-DIOIC ACID L88 search
A GLYCEROL GOL search
A S-1,2-PROPANEDIOL PGO search
A DIMETHYL SULFOXIDE DMS search
A 1,2-ETHANEDIOL EDO search
A DI(HYDROXYETHYL)ETHER PEG search
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