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1csb
From Proteopedia
| 1csb, resolution 2.00Å () | |||||||||
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| Sites: | and | ||||||||
| Ligands: | |||||||||
| Activity: | Cathepsin B, with EC number 3.4.22.1 | ||||||||
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| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||||
Contents |
Crystal structure of cathepsin b inhibited with CA030 at 2.1 angstroms resolution: A basis for the design of specific epoxysuccinyl inhibitors
Crystals of cysteine protease human cathepsin B inhibited with CA030 (ethyl ester of epoxysuccinyl-Ile-Pro-OH) [Murata, M., et al. (1991) FEBS Lett. 280, 307-310; Towatari, T., et al. (1991) FEBS Lett. 280, 311-315] were isomorphous to a previous published structure of cathepsin B [Musil, D., et al. (1991) EMBO J. 10, 2321-2330]. The crystal structure of the complex was refined at 2.0-A resolution to an R-value of 0.194. CA030 is well-defined in the electron density. The Ile-Pro-OH part of CA030 mimics a substrate P1' and P2' residues. The structure thus reveals for the first time a substratelike interaction in the S1' and S2' sites of a papain-like cysteine protease. The CA030 ethyl ester group occupies the S2 site. The structure confirms the role of residues His 110 and His 111 as the receptors of a peptidic substrate C-terminal carboxylic group. The structure suggests that an epoxysuccinyl fragment can be used to extend binding into primed and nonprimed substrate binding sites of a papain-like cysteine protease.
Crystal structure of cathepsin B inhibited with CA030 at 2.0-A resolution: A basis for the design of specific epoxysuccinyl inhibitors., Turk D, Podobnik M, Popovic T, Katunuma N, Bode W, Huber R, Turk V, Biochemistry. 1995 Apr 11;34(14):4791-7. PMID:7718586
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.
About this Structure
1csb is a 4 chain structure of Cathepsin with sequence from Homo sapiens. Full crystallographic information is available from OCA.
See Also
Reference
- Turk D, Podobnik M, Popovic T, Katunuma N, Bode W, Huber R, Turk V. Crystal structure of cathepsin B inhibited with CA030 at 2.0-A resolution: A basis for the design of specific epoxysuccinyl inhibitors. Biochemistry. 1995 Apr 11;34(14):4791-7. PMID:7718586
- Zeng GZ, Pan XL, Tan NH, Xiong J, Zhang YM. Natural biflavones as novel inhibitors of cathepsin B and K. Eur J Med Chem. 2006 Nov;41(11):1247-52. Epub 2006 Jul 7. PMID:16828525 doi:10.1016/j.ejmech.2006.06.002
