title: The NMR structure of the inhibited catalytic domain of human stromelysin-1.
abstract: The three-dimensional structure of the catalytic domain of stromelysin-1 complexed with an N-carboxyl alkyl inhibitor has been determined by NMR methods. The global fold consists of three helices, a five stranded beta-sheet and a methionine located in a turn near the catalytic histidines, classifying stromelysin-1 as a metzincin. Stromelysin-1 is unique in having two independent zinc binding sites: a catalytic site and a structural site. The inhibitor binds in an extended conformation. The S1' subsite is a deep hydrophobic pocket, whereas S2' appears shallow and S3' open.
authors.affiliation: Department of Biophysical Chemistry, Merck Research Laboratories, Rahway, New Jersey 07065-0900, USA.
authors.forename: P R
authors.initials: PR
authors.lastname: Gooley
authors.forename: J F
authors.initials: JF
authors.lastname: O'Connell
authors.forename: A I
authors.initials: AI
authors.lastname: Marcy
authors.forename: G C
authors.initials: GC
authors.lastname: Cuca
authors.forename: S P
authors.initials: SP
authors.lastname: Salowe
authors.forename: B L
authors.initials: BL
authors.lastname: Bush
authors.forename: J D
authors.initials: JD
authors.lastname: Hermes
authors.forename: C K
authors.initials: CK
authors.lastname: Esser
authors.forename: W K
authors.initials: WK
authors.lastname: Hagmann
authors.forename: J P
authors.initials: JP
authors.lastname: Springer
mesh_terms: D000595:Amino Acid Sequence; D001665:Binding Sites; D002384:Catalysis; D006801:Humans; D066298:In Vitro Techniques; D009682:Magnetic Resonance Spectroscopy; D019278:Matrix Metalloproteinase 3; D008666:Metalloendopeptidases / Q000037:antagonists & inhibitors* / Q000737:chemistry* / Q000235:genetics; D008958:Models, Molecular; D008969:Molecular Sequence Data; D015394:Molecular Structure; D011487:Protein Conformation; D017510:Protein Folding; D017386:Sequence Homology, Amino Acid; D015032:Zinc / Q000737:chemistry
chemical_list: D008666:Metalloendopeptidases; D019278:Matrix Metalloproteinase 3; D015032:Zinc