1khq
From Proteopedia
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|PDB= 1khq |SIZE=350|CAPTION= <scene name='initialview01'>1khq</scene>, resolution 1.6Å | |PDB= 1khq |SIZE=350|CAPTION= <scene name='initialview01'>1khq</scene>, resolution 1.6Å | ||
|SITE= | |SITE= | ||
| - | |LIGAND= | + | |LIGAND= <scene name='pdbligand=GLM:1-AMINO-PROPAN-2-ONE'>GLM</scene> |
| - | |ACTIVITY= [http://en.wikipedia.org/wiki/Papain Papain], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.2 3.4.22.2] | + | |ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Papain Papain], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.2 3.4.22.2] </span> |
|GENE= | |GENE= | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY=[[1pad|1PAD]], [[5pad|5PAD]], [[6pad|6PAD]], [[9pap|9PAP]], [[1ppn|1PPN]], [[2pad|2PAD]], [[1pe6|1PE6]], [[1pip|1PIP]], [[1ppp|1PPP]], [[1ppd|1PPD]], [[1pop|1POP]], [[1stf|1STF]], [[1cvz|1CVZ]], [[1khp|1KHP]] | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1khq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1khq OCA], [http://www.ebi.ac.uk/pdbsum/1khq PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1khq RCSB]</span> | ||
}} | }} | ||
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[[Category: protease inhibitor]] | [[Category: protease inhibitor]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 21:48:45 2008'' |
Revision as of 18:48, 30 March 2008
| |||||||
| , resolution 1.6Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | |||||||
| Activity: | Papain, with EC number 3.4.22.2 | ||||||
| Related: | 1PAD, 5PAD, 6PAD, 9PAP, 1PPN, 2PAD, 1PE6, 1PIP, 1PPP, 1PPD, 1POP, 1STF, 1CVZ, 1KHP
| ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
ORTHORHOMBIC 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
1KHQ 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
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