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PDBsum entry 2tld

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Hydrolase/hydrolase inhibitor PDB id
2tld
Contents
Protein chains
220 a.a.*
110 a.a.*
* C-alpha coords only

References listed in PDB file
Key reference
Title Crystal structure of an engineered subtilisin inhibitor complexed with bovine trypsin.
Authors Y.Takeuchi, T.Nonaka, K.T.Nakamura, S.Kojima, K.Miura, Y.Mitsui.
Ref. Proc Natl Acad Sci U S A, 1992, 89, 4407-4411. [DOI no: 10.1073/pnas.89.10.4407]
PubMed id 1584773
Abstract
Proteinase specificity of a proteinaceous inhibitor of subtilisin (SSI; Streptomyces subtilisin inhibitor) can be altered so as to strongly inhibit trypsin simply by replacing P1 methionine with lysine (with or without concomitant change of the P4 residue) through site-directed mutagenesis. Now the crystal structure of one such engineered SSI (P1 methionine converted to lysine and P4 methionine converted to glycine) complexed with bovine trypsin has been solved at 2.6 A resolution and refined to a crystallographic R factor of 0.173. Comparing this structure with the previously established structure of the native SSI complexed with subtilisin BPN', it was found that (i) P1 lysine of the mutant SSI is accommodated in the S1 pocket of trypsin as usual, and (ii) upon complex formation, considerable conformation change occurs to the reactive site loop of the mutant SSI. Thus, in this case, flexibility of the reactive site loop seems important for successfully changing the proteinase specificity through mere replacement of the P1 residue.
Secondary reference #1
Title Refined crystal structure of the complex of subtilisin bpn' And streptomyces subtilisin inhibitor at 1.8 a resolution.
Authors Y.Takeuchi, Y.Satow, K.T.Nakamura, Y.Mitsui.
Ref. J Mol Biol, 1991, 221, 309-325.
PubMed id 1920411
Abstract
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