1khp

From Proteopedia

Monoclinic form of papain/ZLFG-DAM covalent complex

Structural highlights

1khp 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.
Method:	X-ray diffraction, Resolution 2Å
Ligands:	0HQ, PHQ
Resources:	FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

PAPA1_CARPA

Evolutionary Conservation

Checkto colour the structure by Evolutionary Conservation, 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.

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Citations

1 reviews cite this structure

New drug design with covalent modifiers.

Adeniyi et al. (2016)

0 more

12 other articles

No citations found

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

1 Structural highlights
2 Function
3 Evolutionary Conservation
4 Publication Abstract from PubMed
5 See Also
6 References

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PDB ID 1khp

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1khp

From Proteopedia

Monoclinic form of papain/ZLFG-DAM covalent complex

Structural highlights

Function

Evolutionary Conservation

Publication Abstract from PubMed

See Also

References

Contents

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