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PDBsum entry 3est
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Hydrolase(serine proteinase)
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PDB id
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3est
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References listed in PDB file
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Key reference
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Title
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Structure of native porcine pancreatic elastase at 1.65 a resolutions.
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Authors
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E.Meyer,
G.Cole,
R.Radhakrishnan,
O.Epp.
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Ref.
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Acta Crystallogr B, 1988,
44,
26-38.
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PubMed id
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Abstract
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The structure of native porcine pancreatic elastase in 70% methanol has been
refined using film data to 1.65 A resolution, R = 0.169. A total of 134
molecules of water (but no methanol) has been refined. This structure, because
of its native state and modestly high resolution, serves as the basis for
comparison with other elastase structures complexed with natural or synthetic
ligands. Internal structured water occupies distinct regions. Two regions (IW1
and IW7) suggest a mechanism for equalizing 'hydrostatic pressure' related to
ligand binding and release. A third region (IW4) forms part of a
hydrogen-bonding network linking the catalytic Ser 195 O gamma with a remote
(13.4 A) surface of the enzyme. A comparison with the structures of all known
serine proteases reveals that a linkage of Ser O gamma to remote surface is
conserved in all cases, suggesting that the accepted catalytic mechanism of
serine proteases needs to be re-evaluated. One possible mechanism for base
catalysis of Ser O gamma H proton extraction is presented.
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Secondary reference #1
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Title
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Crystal structures of the complex of porcine pancreatic elastase with two valine-Derived benzoxazinone inhibitors.
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Authors
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R.Radhakrishnan,
L.G.Presta,
E.F.Meyer,
R.Wildonger.
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Ref.
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J Mol Biol, 1987,
198,
417-424.
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PubMed id
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Secondary reference #2
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Title
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Analysis of an enzyme-Substrate complex by x-Ray crystallography and transferred nuclear overhauser enhancement measurements: porcine pancreatic elastase and a hexapeptide.
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Authors
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E.F.Meyer,
G.M.Clore,
A.M.Gronenborn,
H.A.Hansen.
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Ref.
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Biochemistry, 1988,
27,
725-730.
[DOI no: ]
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PubMed id
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Secondary reference #3
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Title
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Structure of the product complex of acetyl-Ala-Pro-Ala with porcine pancreatic elastase at 1.65 a resolution.
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Authors
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E.F.Meyer,
R.Radhakrishnan,
G.M.Cole,
L.G.Presta.
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Ref.
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J Mol Biol, 1986,
189,
533-539.
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PubMed id
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Secondary reference #4
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Title
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Stereochemistry of binding of the tetrapeptide acetyl-Pro-Ala-Pro-Tyr-Nh2 to porcine pancreatic elastase. Combined use of two-Dimensional transferred nuclear overhauser enhancement measurements, Restrained molecular dynamics, X-Ray crystallography and molecular modelling.
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Authors
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G.M.Clore,
A.M.Gronenborn,
G.Carlson,
E.F.Meyer.
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Ref.
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J Mol Biol, 1986,
190,
259-267.
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PubMed id
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Secondary reference #5
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Title
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Stereospecific reaction of 3-Methoxy-4-Chloro-7-Amino-Isocoumarin with crystalline porcine pancreatic elastase
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Authors
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E.F.Meyer Junior,
L.G.Presta,
R.Radhakrishnan.
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Ref.
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j am chem soc, 1985,
107,
4091.
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Secondary reference #6
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Title
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The atomic structure of crystalline porcine pancreatic elastase at 2.5 a resolution: comparisons with the structure of alpha-Chymotrypsin.
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Authors
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L.Sawyer,
D.M.Shotton,
J.W.Campbell,
P.L.Wendell,
H.Muirhead,
H.C.Watson.
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Ref.
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J Mol Biol, 1978,
118,
137-208.
[DOI no: ]
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PubMed id
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Figure 1.
FIG. 1. The variation in he ean arent and heavy-atom structure amplitudes and in he
accurctcy of the hase etermination of the complete high resolution tosyl-elastse data set as a
unction of sin20/ha. (-A-A-), F,//2 -O-O--), lfHl --m--W--, --O--O---,
--A--/--) and E (-m-m--, -e-a--, -b-A-) are defined as in Tables 3 and 4.
The values or wa are iven by the right ordinate, nd those or 1Frl, lfnl and E, which are n he
same non-absolute scale, by the ordinate. A, CMBS-elastase; 0, ranyl tosyl-elastase;
H, uranyl CMBS-elastase.
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Figure 10.
IG. 10. Histograms of (a) x, b) yz, (c) x3.
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The above figures are
reproduced from the cited reference
with permission from Elsevier
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Secondary reference #7
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Title
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Atomic coordinates for tosyl-Elastase.
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Authors
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L.Sawyer,
D.M.Shotton,
H.C.Watson.
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Ref.
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Biochem Biophys Res Commun, 1973,
53,
944-951.
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PubMed id
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Secondary reference #8
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Title
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Amino-Acid sequence of porcine pancreatic elastase and its homologies with other serine proteinases.
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Authors
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D.M.Shotton,
B.S.Hartley.
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Ref.
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Nature, 1970,
225,
802-806.
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PubMed id
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Secondary reference #9
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Title
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Three-Dimensional fourier synthesis of tosyl-Elastase at 3.5 å resolution.
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Authors
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H.C.Watson,
D.M.Shotton,
J.M.Cox,
H.Muirhead.
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Ref.
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Nature, 1970,
225,
806-811.
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PubMed id
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Secondary reference #10
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Title
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Three-Dimensional structure of tosyl-Elastase.
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Authors
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D.M.Shotton,
H.C.Watson.
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Ref.
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Nature, 1970,
225,
811-816.
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PubMed id
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