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1khq, resolution 1.60Å ()
Non-Standard Residues: ,
Activity: Papain, with EC number
Related: 1pad, 5pad, 6pad, 9pap, 1ppn, 2pad, 1pe6, 1pip, 1ppp, 1ppd, 1pop, 1stf, 1cvz, 1khp
Resources: FirstGlance, OCA, RCSB, PDBsum
Coordinates: save as pdb, mmCIF, xml



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

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

About this Structure

1khq is a 2 chain structure with sequence from Carica papaya. Full crystallographic information is available from OCA.

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