Structural highlights
1khq is a 2 chain structure with sequence from Carica papaya. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
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| NonStd Res: | , |
| Related: | 1pad, 5pad, 6pad, 9pap, 1ppn, 2pad, 1pe6, 1pip, 1ppp, 1ppd, 1pop, 1stf, 1cvz, 1khp |
| Activity: | Papain, with EC number 3.4.22.2 |
| Resources: | FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT |
Evolutionary Conservation
Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf.
Publication Abstract from PubMed
The three-dimensional structure of two polymorphs of a ZLFG-CH2-papain covalent complex has been determined by X-ray crystallography. The structures indicate that: (i) the methylene carbon atom of the inhibitor is covalently bound to the Sgamma atom of Cys25 of papain; (ii) the hydrophobic S2 pocket formed by Pro68, Val133, Val157, and Asp158 is occupied by the inhibitor's phenylalanyl P2 side chain; (iii) extensive hydrogen bonding and hydrophobic interactions are responsible for the interaction of the inhibitor with the enzyme. Comparison with similar structures suggests that in covalent complexes preservation of main chain-main chain interactions between the enzyme and the inhibitor may have higher priority than the P-S interactions.
Two polymorphs of a covalent complex between papain and a diazomethylketone inhibitor.,Janowski R, Kozak M, Jankowska E, Grzonka Z, Jaskolski M J Pept Res. 2004 Oct;64(4):141-50. PMID:15357669[1]
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.
References
- ↑ Janowski R, Kozak M, Jankowska E, Grzonka Z, Jaskolski M. Two polymorphs of a covalent complex between papain and a diazomethylketone inhibitor. J Pept Res. 2004 Oct;64(4):141-50. PMID:15357669 doi:http://dx.doi.org/10.1111/j.1399-3011.2004.00181.x
