Re: [ccp4bb] Cis-peptide bond checking

2015-07-03 Thread Tristan Croll
bond is made the wrong way around. Best regards, Tristan From: Tristan Croll Sent: Tuesday, 17 February 2015 6:13 AM To: wouter.t...@radboudumc.nl; CCP4 bulletin board Subject: Re: [ccp4bb] Cis-peptide bond checking Dear Wouter, That does sound like a useful t

Re: [ccp4bb] Cis-peptide bond checking

2015-02-17 Thread Seijo, Jose A. Cuesta
josea.cuesta.se...@carlsberglab.dk<mailto:josea.cuesta.se...@carlsberglab.dk> From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Tristan Croll Sent: Monday, February 16, 2015 9:14 PM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Cis-peptide

Re: [ccp4bb] Cis-peptide bond checking

2015-02-16 Thread Edward A. Berry
To add to my rather spotty coverage of the literature on this subject: - M. S. Weiss, H. J. Metzner & R. Hilgenfeld (1998). Two non-proline cis peptide bonds may be important for factor XIII function. FEBS Lett. 423, 291-296. - M. S. Weiss, A. Jabs & R. Hilgenfeld (1998). Peptide bonds revisite

Re: [ccp4bb] Cis-peptide bond checking

2015-02-16 Thread Tristan Croll
c.nl Sent: Monday, 16 February 2015 9:55 PM To: Tristan Croll; CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Cis-peptide bond checking Dear Tristan, Thank you for your post of earlier today regarding the problem of cis and trans peptide planes in the PDB. We also realised this problem a while ago and

Re: [ccp4bb] Cis-peptide bond checking

2015-02-16 Thread Roger Rowlett
Great reminder. But there are real non proline cis peptide bonds, including highly conserved motifs in active sites, e.g. 3UAO and its homologs. I would hope these don't get "corrected". Roger Rowlett On Feb 16, 2015 5:09 AM, "Tristan Croll" wrote: > Dear all, > > > My apologies for the spam-l

Re: [ccp4bb] Cis-peptide bond checking

2015-02-16 Thread Robbie Joosten
;mailto:CCP4BB@JISCMAIL.AC.UK> Onderwerp: Re: [ccp4bb] Cis-peptide bond checking However it is important to note that there are real non-proline cis peptides in high-resolution structures, and to not throw out these babies with the bathwater! In fact I think they are probably under-represented be

Re: [ccp4bb] Cis-peptide bond checking

2015-02-16 Thread Edward A. Berry
However it is important to note that there are real non-proline cis peptides in high-resolution structures, and to not throw out these babies with the bathwater! In fact I think they are probably under-represented because people are hesitant to build a non-pro cis peptide even when the density

Re: [ccp4bb] Cis-peptide bond checking

2015-02-16 Thread Pierre Rizkallah
bject: Re: [ccp4bb] Cis-peptide bond checking Dear Tristan, Thank you for your post of earlier today regarding the problem of cis and trans peptide planes in the PDB. We also realised this problem a while ago and an article describing this problem and a solution is presently under review at Acta

Re: [ccp4bb] Cis-peptide bond checking

2015-02-16 Thread Wouter Touw
Dear Tristan, Thank you for your post of earlier today regarding the problem of cis and trans peptide planes in the PDB. We also realised this problem a while ago and an article describing this problem and a solution is presently under review at Acta Cryst. D. After analysis of the PDB we can s

Re: [ccp4bb] Cis-peptide bond checking

2015-02-16 Thread Tristan Croll
IL.AC.UK Subject: RE: [ccp4bb] Cis-peptide bond checking HmmCISPEP records are provided... CISPEP 1 GLY A 63LEU A 64 0 1.59 CISPEP 2 LEU A 69PRO A 70 0 -14.05 CISPEP 3 PRO A 70PRO A 71 0-2.41 CISPEP 4 ASP A 1

Re: [ccp4bb] Cis-peptide bond checking

2015-02-16 Thread Bernhard Rupp
be parsed/checked.. ..but then again, who does? https://www.youtube.com/watch?v=bAZqE2DnxUI Best, BR From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Tristan Croll Sent: Montag, 16. Februar 2015 10:58 To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] Cis-peptide bond

[ccp4bb] Cis-peptide bond checking

2015-02-16 Thread Tristan Croll
Dear all, My apologies for the spam-like nature of my post, but I would like to draw your attention to an important issue (outlined in an upcoming short communication to Acta D, which will appear at doi:10.1107/S1399004715000826 once it's online). At present, neither the structural quality che