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PDBsum entry 1er8
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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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The active site of aspartic proteinases.
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Authors
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L.Pearl,
T.Blundell.
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Ref.
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Febs Lett, 1984,
174,
96.
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PubMed id
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Abstract
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The active site of the aspartic proteinase, endothiapepsin, has been defined by
X-ray analysis and restrained least-squares refinement at 2.1 A resolution with
a crystallographic agreement value of 0.16. The environments of the two
catalytically important aspartyl groups are remarkably similar and the
contributions of the NH2- and COOH-terminal domains to the catalytic centre are
related by a local 2-fold axis. The carboxylates of the aspartyls share a
hydrogen bond and have equivalent contacts to a bound water molecule or
hydroxonium ion lying on the local diad. The main chains around 32 and 215 are
connected by a novel interaction involving diad-related threonines. It is
suggested that the two pKa values of the active site aspartyls arise from a
structure not unlike that in maleic acid with a hydrogen-bonded intermediate
species and a dicarboxylate characterised by electrostatic repulsions between
the two negatively charged groups.
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Secondary reference #1
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Title
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Active site of acid proteinases
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Authors
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T.L.Blundell,
H.B.Jones,
G.Khan,
G.Taylor,
T.S.Sewell,
L.H.Pearl,
S.P.Wood.
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Ref.
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proc febs meet, 1979,
60,
281.
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Secondary reference #2
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Title
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The three-Dimensional structure of acid proteinases
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Authors
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T.L.Blundell,
J.A.Jenkins,
G.Khan,
P.Roychowdhury,
T.Sewell,
I.J.Tickle,
E.A.Wood.
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Ref.
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proc febs meet, 1979,
52,
81.
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Secondary reference #3
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Title
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Four-Fold structural repeat in the acid proteases
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Authors
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T.L.Blundell,
B.T.Sewell,
A.D.Mclachlan.
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Ref.
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biochim biophys acta, 1979,
580,
24.
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Secondary reference #4
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Title
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Structural evidence for gene duplication in the evolution of acid proteases
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Authors
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J.Tang,
M.N.G.James,
I.N.Hsu,
J.A.Jenkins,
T.L.Blundell.
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Ref.
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nature, 1978,
271,
618.
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Secondary reference #5
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Title
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Homology among acid proteases. Comparison of crystal structures at 3 angstroms resolution of acid proteases from rhizopus chinensis and endothia parasitica
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Authors
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E.Subramanian,
I.D.A.Swan,
M.Liu,
D.R.Davies,
J.A.Jenkins,
I.J.Tickle,
T.L.Blundell.
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Ref.
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proc natl acad sci usa, 1977,
74,
556.
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Secondary reference #6
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Title
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X-Ray analysis and circular dichroism of the acid protease from endothia parasitica and chymosin.
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Authors
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J.Jenkins,
I.Tickle,
T.Sewell,
L.Ungaretti,
A.Wollmer,
T.Blundell.
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Ref.
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Adv Exp Med Biol, 1977,
95,
43-60.
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PubMed id
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