[ccp4bb] postdoctoral position on radical-SAM Fe-S protein

2011-02-15 Thread Jim Spencer, Cellular and Molecular Medicine

Dear All,

A postdoctoral position is available in my laboratory (University of 
Bristol, Medical Sciences Building) to continue our characterisation of the 
radical SAM enzyme Cfr, an Fe-S-containing rRNA methyltransferase that 
confers resistance to multiple classes of ribosome-acting antibiotics, 
including linezolid.


Full details and directions on how to apply are available at:

http://www.bris.ac.uk/boris/jobs/feeds/ads?ID=93491

Progress in this area is described in a recent publication:

Protein Expr Purif. 2010 Dec;74(2):204-10.

The post is funded by the Leverhulme Trust, for one year in the first 
instance.


Feel free to contact me directly if you need further information, but to 
apply please follow the instructions on the link above.  The closing date 
is 28th February.


Best wishes

Jim Spencer

--
Dr. James Spencer,
Lecturer in Microbiology
School of Cellular and Molecular Medicine
Medical Sciences Building
University of Bristol
University Walk
Bristol BS8 1TD
jim.spen...@bristol.ac.uk
http://www.bristol.ac.uk/cellmolmed/staff/spencer.html
--

Tel: (44) (0) 117 331 2084
Fax: (44) (0) 117 331 2091


[ccp4bb] PDB deposition ADIT without frames?

2011-02-15 Thread Dirk Kostrewa

Dear CCP4ers,

a colleague of mine is just going through the PDB deposition process 
using the usual ADIT website. In contrast to my experience and to the 
ADIT turorial, she has only one frame in the browser. The left frame 
with the overview is missing. So, there is no way to jump between the 
different deposition fields, which makes deposition a nightmare. Has 
anybody else noticed that?


Best regards,

Dirk.

--

***
Dirk Kostrewa
Gene Center Munich, A5.07
Department of Biochemistry
Ludwig-Maximilians-Universität München
Feodor-Lynen-Str. 25
D-81377 Munich
Germany
Phone:  +49-89-2180-76845
Fax:+49-89-2180-76999
E-mail: kostr...@genzentrum.lmu.de
WWW:www.genzentrum.lmu.de
***


Re: [ccp4bb] PDB deposition ADIT without frames?

2011-02-15 Thread Dirk Kostrewa
Thanks a lot for your suggestions! Meanwhile, my colleague entered the 
desired sequence information into the first website without frames, and 
after that, the usual frame layout re-appeared! I don't know whether 
this is a bug or intended ...


Best regards,

Dirk.

Am 15.02.11 17:00, schrieb Dirk Kostrewa:

Dear CCP4ers,

a colleague of mine is just going through the PDB deposition process 
using the usual ADIT website. In contrast to my experience and to the 
ADIT turorial, she has only one frame in the browser. The left frame 
with the overview is missing. So, there is no way to jump between the 
different deposition fields, which makes deposition a nightmare. Has 
anybody else noticed that?


Best regards,

Dirk.



--

***
Dirk Kostrewa
Gene Center Munich, A5.07
Department of Biochemistry
Ludwig-Maximilians-Universität München
Feodor-Lynen-Str. 25
D-81377 Munich
Germany
Phone:  +49-89-2180-76845
Fax:+49-89-2180-76999
E-mail: kostr...@genzentrum.lmu.de
WWW:www.genzentrum.lmu.de
***


[ccp4bb] help in CONTACT

2011-02-15 Thread vineet joshi
Dear CCP4ers,

Is there any specific way that can help me locate the interactions between
ligand (GTP) to any other residue in the protein(GTPase) using CONTACT. And
how do I run CONTACT for a number of .pdb files(around 650) in one single
step and separate them based on their interactions without running it
individually for each of the .pdb file. The latter method is too time
consuming so I need something quicker. Also, I am unable to get access to
the script file for contact. Can someone please help me in this regard.

Regards,

Vineet Joshi


Re: [ccp4bb] help in CONTACT

2011-02-15 Thread Eleanor Dodson

On 02/15/2011 04:36 PM, vineet joshi wrote:

Dear CCP4ers,

Is there any specific way that can help me locate the interactions between
ligand (GTP) to any other residue in the protein(GTPase) using CONTACT. And
how do I run CONTACT for a number of .pdb files(around 650) in one single
step and separate them based on their interactions without running it
individually for each of the .pdb file. The latter method is too time
consuming so I need something quicker. Also, I am unable to get access to
the script file for contact. Can someone please help me in this regard.

Regards,

Vineet Joshi




Have you looked at the PISA files held at the EBI for every structure.
These should include the ligand-protein interfaces already calculated.


Or if you look at the GUI and call up contact for one pdb

You will get a script like this:
ncont XYZIN 
/y/people/ccp4/projects/sinRbit/SinR-C_rem-inf-pk-shel-nat_buccaneer3-sym1-coot-3_lsq2.pdb


source A/*
target B/*
mindist 0.0
maxdist 5.0
cells OFF
END


That would give contacts between chains A  B

I can see no automatic way of identifying how ligand and protein are 
labelled in your 600 GTPases though..

Eleanor


Re: [ccp4bb] Model Building: continuous update of distances as fragment moved

2011-02-15 Thread Eric Pettersen

On Feb 14, 2011, at 4:01 PM, Paul McLaughlin wrote:


In doing some model building I want to move a domain of a protein
manually, as a rigid body, and see in real time continuous updates of
some distances from points on the domain to the rest of the protein  
(we

have cross linking data).
I dimly remember being able to do with this O,at least a decade ago
(probably more),  but it doesn't seem to work in current versions (I
have even dimmer recollections that this might have been a special
feature of a particular graphics card in an SGI)
In any event, does anyone know of anything that might allow us to do
this? { I am not asking about computational ways of exploring  
alternate

packing of the domain to satisfy distances ( I know about these) -
rather we want to get a feel for what is possible by seeing it for
ourselves).


DIstance monitors in Chimera (www.cgl.ucsf.edu/chimera) automatically  
update as structures are moved.  Possibly also of interest, Chimera  
can monitor steric clashes/contacts as structures are moved:


http://www.cgl.ucsf.edu/chimera/docs/ContributedSoftware/findclash/findclash.html

--Eric

Eric Pettersen
UCSF Computer Graphics Lab
http://www.cgl.ucsf.edu




Re: [ccp4bb] Model Building: continuous update of distances as fragment moved

2011-02-15 Thread Matthew Franklin
Hi Eric -

 

I remember that the neighbor atom distances would dynamically update, and
even appear and disappear as your moving atom crosses the 3.2 A distance
threshold to another atom.  I don't remember if the regular distance
define distances would do the same; I think not.  I'm fairly sure that this
still works - the last time I used O was about six months ago, and the O
package I was using was from c. 2005.

 

More on-topic, Coot seems to have a dynamic distance command (look under
the Measure menu) which will do what you want.

 

Hope that helps,

Matt

 

 

-- 

Matthew Franklin, Ph. D.

Senior Research Scientist

New York Structural Biology Center

89 Convent Avenue, New York, NY 10027

(646) 275-7165

  _  

From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Eric
Pettersen
Sent: Tuesday, February 15, 2011 4:14 PM
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] Model Building: continuous update of distances as
fragment moved

 

On Feb 14, 2011, at 4:01 PM, Paul McLaughlin wrote:





In doing some model building I want to move a domain of a protein 
manually, as a rigid body, and see in real time continuous updates of 
some distances from points on the domain to the rest of the protein (we 
have cross linking data).
I dimly remember being able to do with this O,at least a decade ago 
(probably more),  but it doesn't seem to work in current versions (I 
have even dimmer recollections that this might have been a special 
feature of a particular graphics card in an SGI)
In any event, does anyone know of anything that might allow us to do 
this? { I am not asking about computational ways of exploring alternate 
packing of the domain to satisfy distances ( I know about these) - 
rather we want to get a feel for what is possible by seeing it for 
ourselves).

 

DIstance monitors in Chimera (www.cgl.ucsf.edu/chimera) automatically update
as structures are moved.  Possibly also of interest, Chimera can monitor
steric clashes/contacts as structures are moved:

 

http://www.cgl.ucsf.edu/chimera/docs/ContributedSoftware/findclash/findclash
.html

 

--Eric

 

Eric Pettersen

UCSF Computer Graphics Lab

http://www.cgl.ucsf.edu