Re: [ccp4bb] CASP ROLL needs your structures!

2013-01-20 Thread Randy Read
Hi,

The definition of new fold at the PDB depends on how it is categorised in 
SCOP version 1.75, which was released in June 2009.  Once the SCOP database is 
updated again, we'll see how many new folds were really represented by PDB 
entries deposited in the last few years.

Randy

-
Randy J. Read
Department of Haematology, University of Cambridge
Cambridge Institute for Medical ResearchTel: +44 1223 336500
Wellcome Trust/MRC Building Fax: +44 1223 336827
Hills RoadE-mail: 
rj...@cam.ac.uk
Cambridge CB2 0XY, U.K.   
www-structmed.cimr.cam.ac.uk

On 20 Jan 2013, at 07:05, Ethan Merritt wrote:

 On Saturday, 19 January 2013, Luecke, Hartmut wrote:
 
 In recent CASPs, there has been a shortage of new folds (according to PDB
 exactly zero new folds deposited since 2009) and membrane protein targets.
 
 I have been wondering about that. It is true that the PDB has not listed any
 new folds since 2009, but that hasn't stopped people from publishing new
 structures and claiming they are new folds.   Is this because there is no
 single recognized criterion for new in these cases?  
 Or possibly the PDB hasn't updated their statistics since 2009?
 
 E.g. from the 1st page of Google Scholar hits for protein structure new fold
 
   2RSXR Arai, S Fukui, N Kobayashi, J Sekiguchi - JBC 2012
   Solution Structure of IseA, an Inhibitor Protein of 
   dl-Endopeptidases from Bacillus subtilis, Reveals a Novel Fold 
 
   3RX6R Banerjee, S Nath, A Ranjan, S Khamrui, B Pani, R Sen, U Sen - 
 JBC 2012
   A search of the Protein Data Bank using the DALI server (19) 
   and PDBeFold (20) did not produce any significant match with 
   the Psu structure designating it to be a new fold
 
   2L8K Ioannis Manolaridis, ..., Eric J. Snijder - J. Virology 2011
   Structure and genetic analysis of the arterivirus nonstructural 
 protein 7α
 
   Ethan Merritt
 
 
 The lack of such targets makes it problematic to reliably quantify the state
 of the art in the area of protein structure prediction. To remedy this
 situation, CASP organizers have recently launched a new project called CASP
 ROLL (http://predictioncenter.org/casprol), where amino acids sequences of
 challenging targets are released throughout the year when structure solution
 is imminent. CASP specifically needs sequences of low-homology membrane
 targets that are about to be solved or have been solved but not released by
 PDB or elsewhere yet. It is important that structural information about the
 targets has not been publicly exposed (including things like coordinates,
 images, papers, conference abstracts) until after the prediction window for
 a given target has been closed.
 
 Each target will be available for prediction for a period of three to four
 weeks; in some cases a longer hold (up to 8 weeks) may be requested to
 allow the same target to be re-used for additional modeling experiments.
 
 So if you have anything suitable - please let CASP know. As you saw from the
 information above, your targets need not be fully refined structures. And if
 you need to make public a target's structure before the CASP window closes,
 simply contact CASP.  We would rather lose a few targets than not have any
 at all!
 
 A good perspective for solving the structure in a few months is a good
 enough assurance for CASP.  The submission mechanism is really simple. You
 can submit a target using the CASP Target Submission Form
 (http://predictioncenter.org/casprol/targets_submission.cgi), by sending
 email to c...@predictioncenter.org, or by marking your PDB deposition as
 CASP target in PDB's ADIT system (this way PDB will automatically put your
 target on hold for CASP for 8 weeks).
 
 Submission details can be found at
 http://predictioncenter.org/casprol/targets_submission.cgi
 
 Thanks and hoping for lots of targets.
 
 
 Hudel, UC Irvine
 
 
 
 
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[ccp4bb] CASP ROLL needs your structures!

2013-01-19 Thread Luecke, Hartmut
CASP* ROLL#

*Critical Assessment of Structure Prediction
#not a new sushi item

In recent CASPs, there has been a shortage of new folds (according to PDB
exactly zero new folds deposited since 2009) and membrane protein targets.
The lack of such targets makes it problematic to reliably quantify the state
of the art in the area of protein structure prediction. To remedy this
situation, CASP organizers have recently launched a new project called CASP
ROLL (http://predictioncenter.org/casprol), where amino acids sequences of
challenging targets are released throughout the year when structure solution
is imminent. CASP specifically needs sequences of low-homology membrane
targets that are about to be solved or have been solved but not released by
PDB or elsewhere yet. It is important that structural information about the
targets has not been publicly exposed (including things like coordinates,
images, papers, conference abstracts) until after the prediction window for
a given target has been closed.

Each target will be available for prediction for a period of three to four
weeks; in some cases a longer hold (up to 8 weeks) may be requested to
allow the same target to be re-used for additional modeling experiments.

So if you have anything suitable - please let CASP know. As you saw from the
information above, your targets need not be fully refined structures. And if
you need to make public a target's structure before the CASP window closes,
simply contact CASP.  We would rather lose a few targets than not have any
at all!

A good perspective for solving the structure in a few months is a good
enough assurance for CASP.  The submission mechanism is really simple. You
can submit a target using the CASP Target Submission Form
(http://predictioncenter.org/casprol/targets_submission.cgi), by sending
email to c...@predictioncenter.org, or by marking your PDB deposition as
CASP target in PDB's ADIT system (this way PDB will automatically put your
target on hold for CASP for 8 weeks).

Submission details can be found at
http://predictioncenter.org/casprol/targets_submission.cgi

Thanks and hoping for lots of targets.


Hudel, UC Irvine




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Re: [ccp4bb] CASP ROLL needs your structures!

2013-01-19 Thread Ethan Merritt
On Saturday, 19 January 2013, Luecke, Hartmut wrote:
 
 In recent CASPs, there has been a shortage of new folds (according to PDB
 exactly zero new folds deposited since 2009) and membrane protein targets.

I have been wondering about that. It is true that the PDB has not listed any
new folds since 2009, but that hasn't stopped people from publishing new
structures and claiming they are new folds.   Is this because there is no
single recognized criterion for new in these cases?  
Or possibly the PDB hasn't updated their statistics since 2009?

E.g. from the 1st page of Google Scholar hits for protein structure new fold

2RSXR Arai, S Fukui, N Kobayashi, J Sekiguchi - JBC 2012
Solution Structure of IseA, an Inhibitor Protein of 
dl-Endopeptidases from Bacillus subtilis, Reveals a Novel Fold 

3RX6R Banerjee, S Nath, A Ranjan, S Khamrui, B Pani, R Sen, U Sen - 
JBC 2012
A search of the Protein Data Bank using the DALI server (19) 
and PDBeFold (20) did not produce any significant match with 
the Psu structure designating it to be a new fold

2L8K Ioannis Manolaridis, ..., Eric J. Snijder - J. Virology 2011
Structure and genetic analysis of the arterivirus nonstructural 
protein 7α

Ethan Merritt


 The lack of such targets makes it problematic to reliably quantify the state
 of the art in the area of protein structure prediction. To remedy this
 situation, CASP organizers have recently launched a new project called CASP
 ROLL (http://predictioncenter.org/casprol), where amino acids sequences of
 challenging targets are released throughout the year when structure solution
 is imminent. CASP specifically needs sequences of low-homology membrane
 targets that are about to be solved or have been solved but not released by
 PDB or elsewhere yet. It is important that structural information about the
 targets has not been publicly exposed (including things like coordinates,
 images, papers, conference abstracts) until after the prediction window for
 a given target has been closed.
 
 Each target will be available for prediction for a period of three to four
 weeks; in some cases a longer hold (up to 8 weeks) may be requested to
 allow the same target to be re-used for additional modeling experiments.
 
 So if you have anything suitable - please let CASP know. As you saw from the
 information above, your targets need not be fully refined structures. And if
 you need to make public a target's structure before the CASP window closes,
 simply contact CASP.  We would rather lose a few targets than not have any
 at all!
 
 A good perspective for solving the structure in a few months is a good
 enough assurance for CASP.  The submission mechanism is really simple. You
 can submit a target using the CASP Target Submission Form
 (http://predictioncenter.org/casprol/targets_submission.cgi), by sending
 email to c...@predictioncenter.org, or by marking your PDB deposition as
 CASP target in PDB's ADIT system (this way PDB will automatically put your
 target on hold for CASP for 8 weeks).
 
 Submission details can be found at
 http://predictioncenter.org/casprol/targets_submission.cgi
 
 Thanks and hoping for lots of targets.
 
 
 Hudel, UC Irvine
 
 
 
 
 This message contains confidential information and is intended only for the 
 individual named. If you are not the named addressee you should not 
 disseminate, distribute or copy this e-mail. Please notify the sender 
 immediately by e-mail if you have received this e-mail by mistake and delete 
 this e-mail from your system. E-mail transmission cannot be guaranteed to be 
 secure or error-free as information could be intercepted, corrupted, lost, 
 destroyed, arrive late or incomplete, or contain viruses. The sender 
 therefore does not accept liability for any errors or omissions in the 
 contents of this message, which arise as a result of e-mail transmission.