1khp
From Proteopedia
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| , resolution 2.0Å | |||||||
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| Ligands: | |||||||
| Activity: | Papain, with EC number 3.4.22.2 | ||||||
| Related: | 1PAD, 5PAD, 6PAD, 9PAP, 1PPN, 2PAD, 1PE6, 1PIP, 1PPP, 1PPD, 1POP, 1STF, 1CVZ, 1KHQ
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| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
Monoclinic form of papain/ZLFG-DAM covalent complex
Overview
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.
About this Structure
1KHP is a Single protein structure of sequence from Carica papaya. Full crystallographic information is available from OCA.
Reference
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
Page seeded by OCA on Sun Mar 30 21:48:45 2008
