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PDBsum entry 1b5g
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Hydrolase/hydrolase inhibitor
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PDB id
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1b5g
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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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Bound structures of novel p3-P1' Beta-Strand mimetic inhibitors of thrombin.
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Authors
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R.St charles,
J.H.Matthews,
E.Zhang,
A.Tulinsky.
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Ref.
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J Med Chem, 1999,
42,
1376-1383.
[DOI no: ]
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PubMed id
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Note In the PDB file this reference is
annotated as "TO BE PUBLISHED".
The citation details given above were identified by an automated
search of PubMed on title and author
names, giving a
percentage match of
88%.
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Abstract
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The X-ray crystal structures of four beta-strand-templated active site
inhibitors of thrombin containing P1' groups have been determined and refined at
about 2.1-A resolution to crystallographic R-values between 0.148 and 0.164. Two
of the inhibitors have an alpha-ketoamide functionality at the scissile bond;
the other two have a nonhydrolyzable electrophilic group at the P1' position.
The binding of lysine is compared with that of arginine at the S1 specificity
site, while that of D,L-phenylalanine enantiomorphs is compared in the S3 region
of thrombin. Four different P1' moieties bind at the S1' subsite in three
different ways. The binding constants vary between 2.0 microM and 70 pM. The
bound structures are used to intercorrelate the various binding constants and
also lead to insightful inferences concerning binding at the S1' site of
thrombin.
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Secondary reference #1
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Title
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The structure of a designed peptidomimetic inhibitor complex of alpha-Thrombin.
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Authors
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T.P.Wu,
V.Yee,
A.Tulinsky,
R.A.Chrusciel,
H.Nakanishi,
R.Shen,
C.Priebe,
M.Kahn.
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Ref.
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Protein Eng, 1993,
6,
471-478.
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PubMed id
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Secondary reference #2
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Title
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Active site and exosite binding of alpha-Thrombin.
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Authors
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A.Tulinsky,
X.Qiu.
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Ref.
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Blood Coagul Fibrinolysis, 1993,
4,
305-312.
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PubMed id
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