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2g79
From Proteopedia
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|PDB= 2g79 |SIZE=350|CAPTION= <scene name='initialview01'>2g79</scene>, resolution 1.690Å | |PDB= 2g79 |SIZE=350|CAPTION= <scene name='initialview01'>2g79</scene>, resolution 1.690Å | ||
|SITE= | |SITE= | ||
| - | |LIGAND= <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand= | + | |LIGAND= <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=RET:RETINAL'>RET</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene> |
|ACTIVITY= | |ACTIVITY= | ||
|GENE= CRABP2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens]) | |GENE= CRABP2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens]) | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY=[[2g78|2G78]], [[2g7a|2G7A]], [[2g7b|2G7B]] | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2g79 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2g79 OCA], [http://www.ebi.ac.uk/pdbsum/2g79 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2g79 RCSB]</span> | ||
}} | }} | ||
| Line 24: | Line 27: | ||
[[Category: Geiger, J H.]] | [[Category: Geiger, J H.]] | ||
[[Category: Vaezeslami, S.]] | [[Category: Vaezeslami, S.]] | ||
| - | [[Category: NA]] | ||
| - | [[Category: RET]] | ||
| - | [[Category: SO4]] | ||
[[Category: beta barrel]] | [[Category: beta barrel]] | ||
[[Category: crabpii]] | [[Category: crabpii]] | ||
| Line 36: | Line 36: | ||
[[Category: x-ray]] | [[Category: x-ray]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 03:12:47 2008'' |
Revision as of 00:12, 31 March 2008
| |||||||
| , resolution 1.690Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | , , | ||||||
| Gene: | CRABP2 (Homo sapiens) | ||||||
| Related: | 2G78, 2G7A, 2G7B
| ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
Crystal Structure of the R132K:Y134F Mutant of Cellular Retinoic Acid Binding Protein Type II in Complex with All-Trans-Retinal at 1.69 Angstroms Resolution
Overview
Rational redesign of the binding pocket of Cellular Retinoic Acid Binding Protein II (CRABPII) has provided a mutant that can bind retinal as a protonated Schiff base, mimicking the binding observed in rhodopsin. The reengineering was accomplished through a series of choreographed manipulations to ultimately orient the reactive species (the epsilon-amino group of Lys132 and the carbonyl of retinal) in the proper geometry for imine formation. The guiding principle was to achieve the appropriate Burgi-Dunitz trajectory for the reaction to ensue. Through crystallographic analysis of protein mutants incapable of forming the requisite Schiff base, a highly ordered water molecule was identified as a key culprit in orienting retinal in a nonconstructive manner. Removal of the ordered water, along with placing reinforcing mutations to favor the desired orientation of retinal, led to a triple mutant CRABPII protein capable of nanomolar binding of retinal as a protonated Schiff base. The high-resolution crystal structure of all-trans-retinal bound to the CRABPII triple mutant (1.2 A resolution) unequivocally illustrates the imine formed between retinal and the protein.
About this Structure
2G79 is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.
Reference
Protein design: reengineering cellular retinoic acid binding protein II into a rhodopsin protein mimic., Vasileiou C, Vaezeslami S, Crist RM, Rabago-Smith M, Geiger JH, Borhan B, J Am Chem Soc. 2007 May 16;129(19):6140-8. Epub 2007 Apr 21. PMID:17447762
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