2rm2
From Proteopedia
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| - | + | {{STRUCTURE_2rm2| PDB=2rm2 | SCENE= }} | |
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'''STRUCTURAL ANALYSIS OF ANTIVIRAL AGENTS THAT INTERACT WITH THE CAPSID OF HUMAN RHINOVIRUSES''' | '''STRUCTURAL ANALYSIS OF ANTIVIRAL AGENTS THAT INTERACT WITH THE CAPSID OF HUMAN RHINOVIRUSES''' | ||
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==About this Structure== | ==About this Structure== | ||
| - | 2RM2 is a [[Protein complex]] structure of sequences from [http://en.wikipedia.org/wiki/Human_rhinovirus_14 Human rhinovirus 14]. This structure supersedes the now removed PDB entry | + | 2RM2 is a [[Protein complex]] structure of sequences from [http://en.wikipedia.org/wiki/Human_rhinovirus_14 Human rhinovirus 14]. This structure supersedes the now removed PDB entry [http://oca.weizmann.ac.il/oca-bin/send-pdb?obs=1&id=1rm2 1rm2]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2RM2 OCA]. |
==Reference== | ==Reference== | ||
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[[Category: Rossmann, M G.]] | [[Category: Rossmann, M G.]] | ||
[[Category: Smith, T J.]] | [[Category: Smith, T J.]] | ||
| - | [[Category: | + | [[Category: Icosahedral virus]] |
| - | [[Category: | + | [[Category: Rhinovirus coat protein]] |
| - | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 17:09:19 2008'' | |
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | |
Revision as of 14:09, 4 May 2008
STRUCTURAL ANALYSIS OF ANTIVIRAL AGENTS THAT INTERACT WITH THE CAPSID OF HUMAN RHINOVIRUSES
Overview
X-Ray diffraction data have been obtained for nine related antiviral agents ("WIN compounds") while bound to human rhinovirus 14 (HRV14). These compounds can inhibit both viral attachment to host cells and uncoating. To calculate interpretable electron density maps it was necessary to account for (1) the low (approximately 60%) occupancies of these compounds in the crystal, (2) the large (up to 7.9 A) conformational changes induced at the attachment site, and (3) the incomplete diffraction data. Application of a density difference map technique, which exploits the 20-fold noncrystallographic redundancy in HRV14, resulted in clear images of the HRV14:WIN complexes. A real-space refinement procedure was used to fit atomic models to these maps. The binding site of WIN compounds in HRV14 is a hydrophobic pocket composed mainly from residues that form the beta-barrel of VP1. Among rhinoviruses, the residues associated with the binding pocket are far more conserved than external residues and are mostly contained within regular secondary structural elements. Molecular dynamics simulations of three HRV14:WIN complexes suggest that portions of the WIN compounds and viral protein near the entrance of the binding pocket are more flexible than portions deeper within the beta-barrel.
About this Structure
2RM2 is a Protein complex structure of sequences from Human rhinovirus 14. This structure supersedes the now removed PDB entry 1rm2. Full crystallographic information is available from OCA.
Reference
Structural analysis of antiviral agents that interact with the capsid of human rhinoviruses., Badger J, Minor I, Oliveira MA, Smith TJ, Rossmann MG, Proteins. 1989;6(1):1-19. PMID:2558377 Page seeded by OCA on Sun May 4 17:09:19 2008
