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PDBsum entry 1ga6
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Hydrolase/hydrolase inhibitor
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PDB id
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1ga6
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Contents |
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* Residue conservation analysis
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References listed in PDB file
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Key reference
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Title
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Carboxyl proteinase from pseudomonas defines a novel family of subtilisin-Like enzymes.
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Authors
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A.Wlodawer,
M.Li,
Z.Dauter,
A.Gustchina,
K.Uchida,
H.Oyama,
B.M.Dunn,
K.Oda.
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Ref.
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Nat Struct Biol, 2001,
8,
442-446.
[DOI no: ]
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PubMed id
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Abstract
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The crystal structure of a pepstatin-insensitive carboxyl proteinase from
Pseudomonas sp. 101 (PSCP) has been solved by single-wavelength anomalous
diffraction using the absorption peak of bromide anions. Structures of the
uninhibited enzyme and of complexes with an inhibitor that was either covalently
or noncovalently bound were refined at 1.0-1.4 A resolution. The structure of
PSCP comprises a single compact domain with a diameter of approximately 55 A,
consisting of a seven-stranded parallel beta-sheet flanked on both sides by a
number of helices. The fold of PSCP is a superset of the subtilisin fold, and
the covalently bound inhibitor is linked to the enzyme through a serine residue.
Thus, the structure of PSCP defines a novel family of serine-carboxyl
proteinases (defined as MEROPS S53) with a unique catalytic triad consisting of
Glu 80, Asp 84 and Ser 287.
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Figure 1.
Figure 1. Two views of the PSCP molecule. a, Stereo tracing
of the C  backbone
of PSCP (crystal D), with the side chains of the putative active
site residues (Ser 287, Glu 80, Asp 84) in ball-and-stick
representation. Every 20^th residue is labeled. Figure prepared
with Molscript34. b, Ribbon diagram showing protein in green,
active site residues in pink, Ca^2+ ion in yellow, and the
inhibitor found in crystals B and C in gold and blue,
respectively. Figure prepared using Ribbons35.
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Figure 3.
Figure 3. Chemical formulas and the electron density for the
inhibitors of PSCP. a, Chemical formula of iodotyrostatin. b,
Chemical formula of pseudo iodotyrostatin. c, Electron density
(2F[o] - F[c]) contoured at 0.8  for
the inhibitor found in crystal B, with the refined model
superimposed. All three common rotamers of Ser 287 can be
observed. d, Electron density (2F[o] -- F[c]) contoured at 0.85
for
the inhibitor covalently bound to Ser 287 in crystal C, with the
coordinates superimposed. The alternate orientation of the side
chain of Ser 287 is not marked.
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The above figures are
reprinted
by permission from Macmillan Publishers Ltd:
Nat Struct Biol
(2001,
8,
442-446)
copyright 2001.
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