1jm0
From Proteopedia
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| - | [[Image:1jm0.jpg|left|200px]] | + | [[Image:1jm0.jpg|left|200px]] |
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| - | '''CRYSTAL STRUCTURE OF FOUR-HELIX BUNDLE MODEL''' | + | {{Structure |
| + | |PDB= 1jm0 |SIZE=350|CAPTION= <scene name='initialview01'>1jm0</scene>, resolution 1.70Å | ||
| + | |SITE= | ||
| + | |LIGAND= <scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</scene>, <scene name='pdbligand=ACE:ACETYL+GROUP'>ACE</scene>, <scene name='pdbligand=NH2:AMINO+GROUP'>NH2</scene> and <scene name='pdbligand=DMS:DIMETHYL SULFOXIDE'>DMS</scene> | ||
| + | |ACTIVITY= | ||
| + | |GENE= | ||
| + | }} | ||
| + | |||
| + | '''CRYSTAL STRUCTURE OF FOUR-HELIX BUNDLE MODEL''' | ||
| + | |||
==Overview== | ==Overview== | ||
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==About this Structure== | ==About this Structure== | ||
| - | 1JM0 is a [ | + | 1JM0 is a [[Protein complex]] structure of sequences from [http://en.wikipedia.org/wiki/ ]. This structure supersedes the now removed PDB entry 1HR5. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1JM0 OCA]. |
==Reference== | ==Reference== | ||
| - | Toward the de novo design of a catalytically active helix bundle: a substrate-accessible carboxylate-bridged dinuclear metal center., Di Costanzo L, Wade H, Geremia S, Randaccio L, Pavone V, DeGrado WF, Lombardi A, J Am Chem Soc. 2001 Dec 26;123(51):12749-57. PMID:[http:// | + | Toward the de novo design of a catalytically active helix bundle: a substrate-accessible carboxylate-bridged dinuclear metal center., Di Costanzo L, Wade H, Geremia S, Randaccio L, Pavone V, DeGrado WF, Lombardi A, J Am Chem Soc. 2001 Dec 26;123(51):12749-57. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/11749531 11749531] |
[[Category: Protein complex]] | [[Category: Protein complex]] | ||
[[Category: Costanzo, L Di.]] | [[Category: Costanzo, L Di.]] | ||
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[[Category: protein design]] | [[Category: protein design]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 12:05:17 2008'' |
Revision as of 10:05, 20 March 2008
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| , resolution 1.70Å | |||||||
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| Ligands: | , , and | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
CRYSTAL STRUCTURE OF FOUR-HELIX BUNDLE MODEL
Overview
De novo design of proteins provides an attractive approach to uncover the essential features required for their functions. Previously, we described the design and crystal structure determination of a di-Zn(II) complex of "due-ferri-1" (DF1), a protein patterned after the diiron-dimanganese class of redox-active proteins [Lombardi, A.; Summa, C.; Geremia, S.; Randaccio, L.; Pavone, V.; DeGrado, W. F. Proc. Natl. Acad. Sci. U.S.A. 2000, 97, 6298-6305]. The overall structure of DF1, which contains a carboxylate-bridged dinuclear metal site, agrees well with the intended design. However, access to this dimetal site is blocked by a pair of hydrophobic leucine residues (L13 and L13'), which prevent facile entry of metal ions and small molecules. We have now taken the next step in the eventual construction of a catalytically active metalloenzyme by engineering an active site cavity into DF1 through the replacement of these two leucine residues with smaller residues. The crystal structure of the dimanganous form of L13A-DF1 indeed shows a substrate access channel to the dimetal center. In the crystal structure, water molecules and a ligating dimethyl sulfoxide molecule, which forms a monatomic bridge between the metal ions, occupy the cavity. Furthermore, the diferric form of a derivative of L13A-DF1, DF2, is shown to bind azide, acetate, and small aromatic molecules.
About this Structure
1JM0 is a Protein complex structure of sequences from [1]. This structure supersedes the now removed PDB entry 1HR5. Full crystallographic information is available from OCA.
Reference
Toward the de novo design of a catalytically active helix bundle: a substrate-accessible carboxylate-bridged dinuclear metal center., Di Costanzo L, Wade H, Geremia S, Randaccio L, Pavone V, DeGrado WF, Lombardi A, J Am Chem Soc. 2001 Dec 26;123(51):12749-57. PMID:11749531
Page seeded by OCA on Thu Mar 20 12:05:17 2008
Categories: Protein complex | Costanzo, L Di. | Geremia, S. | ACE | DMS | MN | NH2 | Alpha-helical bundle | Protein design
