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PDBsum entry 1gss
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Transferase/transferase inhibitor
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PDB id
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1gss
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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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Three-Dimensional structure of class pi glutathione s-Transferase from human placenta in complex with s-Hexylglutathione at 2.8 a resolution.
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Authors
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P.Reinemer,
H.W.Dirr,
R.Ladenstein,
R.Huber,
M.Lo bello,
G.Federici,
M.W.Parker.
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Ref.
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J Mol Biol, 1992,
227,
214-226.
[DOI no: ]
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PubMed id
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Abstract
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The three-dimensional structure of human class pi glutathione S-transferase from
placenta (hGSTP1-1), a homodimeric enzyme, has been solved by Patterson search
methods and refined at 2.8 A resolution to a final crystallographic R-factor of
19.6% (8.0 to 2.8 A resolution). Subunit folding topology, subunit overall
structure and subunit association closely resembles the structure of porcine
class pi glutathione S-transferase. The binding site of a competitive inhibitor,
S-hexylglutathione, is analyzed and the locations of the binding regions for
glutathione (G-site) and electrophilic substrates (H-site) are determined. The
specific interactions between protein and the inhibitor's glutathione peptide
are the same as those observed between glutathione sulfonate and the porcine
isozyme. The H-site is located adjacent to the G-site, with the hexyl moiety
lying above a segment (residues 8 to 10) connecting strand beta 1 and helix
alpha A where it is in hydrophobic contact with Tyr7, Phe8, Val10, Val35 and
Tyr106. Catalytic models are discussed on the basis of the molecular structure.
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Figure 8.
Figure 8. Conolly dot surface of the op region of human class x glutathione S-transferase showing both active sites
occupied by S-hexyllutathione. View is along the local dyad. Also shown is the cavity formed between the 2 subunits.
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Figure 9.
Figure 9. Model o inhibitor S-hexylglutathione and its next neighbors at the active site of human
-transferase.
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The above figures are
reprinted
by permission from Elsevier:
J Mol Biol
(1992,
227,
214-226)
copyright 1992.
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