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PDBsum entry 3htc
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Hydrolase(serine protease)
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PDB id
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3htc
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Contents |
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34 a.a.*
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257 a.a.*
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65 a.a.*
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* C-alpha coords only
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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 structure of a complex of recombinant hirudin and human alpha-Thrombin.
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Authors
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T.J.Rydel,
K.G.Ravichandran,
A.Tulinsky,
W.Bode,
R.Huber,
C.Roitsch,
J.W.Fenton.
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Ref.
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Science, 1990,
249,
277-280.
[DOI no: ]
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PubMed id
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Abstract
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The crystallographic structure of a recombinant hirudin-thrombin complex has
been solved at 2.3 angstrom (A) resolution. Hirudin consists of an NH2-terminal
globular domain and a long (39 A) COOH-terminal extended domain. Residues Ile1
to Tyr3 of hirudin form a parallel beta-strand with Ser214 to Glu217 of thrombin
with the nitrogen atom of Ile1 making a hydrogen bond with Ser195 O gamma atom
of the catalytic site, but the specificity pocket of thrombin is not involved in
the interaction. The COOH-terminal segment makes numerous electrostatic
interactions with an anion-binding exosite of thrombin, whereas the last five
residues are in a helical loop that forms many hydrophobic contacts. In all, 27
of the 65 residues of hirudin have contacts less than 4.0 A with thrombin (10
ion pairs and 23 hydrogen bonds). Such abundant interactions may account for the
high affinity and specificity of hirudin.
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Secondary reference #1
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Title
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The refined 1.9 a crystal structure of human alpha-Thrombin: interaction with d-Phe-Pro-Arg chloromethylketone and significance of the tyr-Pro-Pro-Trp insertion segment.
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Authors
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W.Bode,
I.Mayr,
U.Baumann,
R.Huber,
S.R.Stone,
J.Hofsteenge.
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Ref.
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Embo J, 1989,
8,
3467-3475.
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PubMed id
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Secondary reference #2
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Title
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Experience with various techniques for the refinement of protein structures.
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Authors
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J.Deisenhofer,
S.J.Remington,
W.Steigemann.
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Ref.
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Methods Enzymol, 1985,
115,
303-323.
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PubMed id
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Secondary reference #3
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Title
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Refinement of large structures by simultaneous minimization of energy and r factor
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Authors
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A.Jack,
M.Levitt.
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Ref.
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acta crystallogr ,sect a, 1978,
34,
931.
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Headers
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