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PDBsum entry 1bma
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Hydrolase/hydrolase inhibitor
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PDB id
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1bma
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Contents |
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* Residue conservation analysis
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PDB id:
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| Name: |
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Hydrolase/hydrolase inhibitor
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Title:
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Benzyl methyl aminimide inhibitor complexed to porcine pancreatic elastase
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Structure:
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Chymotrypsin-like elastase family member 1. Chain: a. Synonym: elastase-1. Ec: 3.4.21.36
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Source:
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Sus scrofa. Pigs,swine,wild boar. Organism_taxid: 9823. Organ: pancreas
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Resolution:
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Authors:
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E.Peisach,D.Casebier,S.L.Gallion,P.Furth,G.A.Petsko,J.C.Hogan Jr., D.Ringe
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Key ref:
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E.Peisach
et al.
(1995).
Interaction of a peptidomimetic aminimide inhibitor with elastase.
Science,
269,
66-69.
PubMed id:
DOI:
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Date:
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01-May-95
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Release date:
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07-Dec-95
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PROCHECK
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Headers
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References
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P00772
(CELA1_PIG) -
Chymotrypsin-like elastase family member 1 from Sus scrofa
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Seq:
Struc:
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266 a.a.
240 a.a.*
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Key: |
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PfamA domain |
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Secondary structure |
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CATH domain |
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*
PDB and UniProt seqs differ
at 1 residue position (black
cross)
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Enzyme class:
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E.C.3.4.21.36
- pancreatic elastase.
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Reaction:
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Hydrolysis of proteins, including elastin. Preferential cleavage: Ala-|-Xaa.
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DOI no:
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Science
269:66-69
(1995)
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PubMed id:
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Interaction of a peptidomimetic aminimide inhibitor with elastase.
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E.Peisach,
D.Casebier,
S.L.Gallion,
P.Furth,
G.A.Petsko,
J.C.Hogan,
D.Ringe.
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ABSTRACT
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The crystal structure of an aminimide analog of a dipeptide inhibitor of porcine
pancreatic elastase bound to its target serine protease has been solved. The
peptidomimetic molecule binds in the same fashion as the class of dipeptides
from which it was derived, making similar interactions with the subsites on the
elastase surface. Because aminimides are readily synthesized from a wide variety
of starting materials, they form the basis for a combinatorial chemistry
approach to rational drug design.
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Literature references that cite this PDB file's key reference
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PubMed id
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Reference
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A.Vulpetti,
N.Schiering,
and
C.Dalvit
(2010).
Combined use of computational chemistry, NMR screening, and X-ray crystallography for identification and characterization of fluorophilic protein environments.
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Proteins,
78,
3281-3291.
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PDB codes:
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R.Brenke,
D.Kozakov,
G.Y.Chuang,
D.Beglov,
D.Hall,
M.R.Landon,
C.Mattos,
and
S.Vajda
(2009).
Fragment-based identification of druggable 'hot spots' of proteins using Fourier domain correlation techniques.
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Bioinformatics,
25,
621-627.
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S.Yoshizawa,
D.Fourmy,
R.G.Eason,
and
J.D.Puglisi
(2002).
Sequence-specific recognition of the major groove of RNA by deoxystreptamine.
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Biochemistry,
41,
6263-6270.
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J.Gao,
M.Sudoh,
J.Aubé,
and
R.T.Borchardt
(2001).
Transport characteristics of peptides and peptidomimetics: I. N-methylated peptides as substrates for the oligopeptide transporter and P-glycoprotein in the intestinal mucosa.
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J Pept Res,
57,
316-329.
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I.Nakanishi,
T.Kinoshita,
A.Sato,
and
T.Tada
(2000).
Structure of porcine pancreatic elastase complexed with FR901277, a novel macrocyclic inhibitor of elastases, at 1.6 A resolution.
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Biopolymers,
53,
434-445.
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PDB code:
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D.Ringe,
and
C.Mattos
(1999).
Analysis of the binding surfaces of proteins.
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Med Res Rev,
19,
321-331.
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A.G.Papavassiliou
(1998).
Transcription-factor-modulating agents: precision and selectivity in drug design.
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Mol Med Today,
4,
358-366.
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A.G.Papavassiliou
(1997).
Transcription factor-based drug design in anticancer drug development.
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Mol Med,
3,
799-810.
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C.Mattos,
and
D.Ringe
(1996).
Locating and characterizing binding sites on proteins.
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Nat Biotechnol,
14,
595-599.
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E.E.Rutenber,
F.McPhee,
A.P.Kaplan,
S.L.Gallion,
J.C.Hogan,
C.S.Craik,
and
R.M.Stroud
(1996).
A new class of HIV-1 protease inhibitor: the crystallographic structure, inhibition and chemical synthesis of an aminimide peptide isostere.
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Bioorg Med Chem,
4,
1545-1558.
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PDB code:
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G.W.Shipps,
U.P.Spitz,
and
J.Rebek
(1996).
Solution-phase generation of tetraurea libraries.
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Bioorg Med Chem,
4,
655-657.
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R.C.Jackson
(1995).
Update on computer-aided drug design.
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Curr Opin Biotechnol,
6,
646-651.
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The most recent references are shown first.
Citation data come partly from CiteXplore and partly
from an automated harvesting procedure. Note that this is likely to be
only a partial list as not all journals are covered by
either method. However, we are continually building up the citation data
so more and more references will be included with time.
Where a reference describes a PDB structure, the PDB
codes are
shown on the right.
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Links
