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[ccp4bb] Torsion of acetyl coenzyme a |
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CCP4bb navigationCCP4bb <-- 2007 <-- April 2007 <-- 25 April 2007Subject: Torsion of acetyl coenzyme a From: Peng Zhang pzhang {- at -} SIBS {- dot -} AC {- dot -} CN Date: 2007-04-25 Recently, I solved a structure with a ligand acetyl coenzyme a (ACO) at 2.5A, in which I need to modelled the ACO in O. I generated the torsion file with the PRODRG2 server, the torsion file is attached. I wonder why only the 1-12 angles can be torsioned in o(8.0)? Thanks in advance. ! ! ! This file was generated by PRODRG version 061128.0522 ! PRODRG written/copyrighted by Daan van Aalten ! and Alexander Schuettelkopf ! ! Questions/comments to dava@davapc1.bioch.dundee.ac.uk ! ! When using this software in a publication, cite: ! A. W. Schuettelkopf and D. M. F. van Aalten (2004). ! PRODRG - a tool for high-throughput crystallography ! of protein-ligand complexes. ! Acta Crystallogr. D60, 1355--1363. ! ! ! To use this file add the data _after_ the line starting with ! '.torsion_information' to your current .torsion_information datablock ! (e.g. in torsions.o) and update the datablock header. ! ! .torsion_information t 46 72 residue COA torsion T001 0 CBY CBW SBV CBU CBY OBX torsion T002 0 CBW SBV CBU CBT CBY CBW OBX torsion T003 0 SBV CBU CBT NBS CBY CBW OBX SBV torsion T004 0 CBU CBT NBS CBQ CBY CBW OBX SBV CBU torsion T005 0 CBT NBS CBQ CBP CBY CBW OBX SBV CBU CBT torsion T006 0 NBS CBQ CBP CBO CBY CBW OBX SBV CBU CBT NBS OBR torsion T007 0 CBQ CBP CBO NBN CBY CBW OBX SBV CBU CBT NBS CBQ OBR torsion T008 0 CBP CBO NBN CBL CBY CBW OBX SBV CBU CBT NBS CBQ OBR CBP torsion T009 0 CBO NBN CBL CBJ CBY CBW OBX SBV CBU CBT NBS CBQ OBR CBP CBO torsion T010 0 NBN CBL CBJ CBF CBY CBW OBX SBV CBU CBT NBS CBQ OBR CBP CBO NBN OBM torsion T011 0 CBL CBJ CBF CBG CBY CBW OBX SBV CBU CBT NBS CBQ OBR CBP CBO NBN CBL OBM OBK torsion T012 0 CBJ CBF CBG OBE CBY CBW OBX SBV CBU CBT NBS CBQ OBR CBP CBO NBN CBL OBM CBJ OBK CBH CBI torsion T013 0 CBF CBG OBE PBB CBY CBW OBX SBV CBU CBT NBS CBQ OBR CBP CBO NBN CBL OBM CBJ OBK CBF CBH CBI torsion T014 0 CBG OBE PBB OBA CBY CBW OBX SBV CBU CBT NBS CBQ OBR CBP CBO NBN CBL OBM CBJ OBK CBF CBH CBI CBG torsion T015 0 OBE PBB OBA PAX CBY CBW OBX SBV CBU CBT NBS CBQ OBR CBP CBO NBN CBL OBM CBJ OBK CBF CBH CBI CBG OBE OBC OBD torsion T016 0 PBB OBA PAX O5* CBY CBW OBX SBV CBU CBT NBS CBQ OBR CBP CBO NBN CBL OBM CBJ OBK CBF CBH CBI CBG OBE PBB OBC OBD torsion T017 0 OBA PAX O5* C5* C5* C4* O4* C3* O3* PAP OAR OAS OAQ C2* O2* C1* N9 C8 N7 C5 C4 N3 C2 N1 C6 N6 torsion T018 0 PAX O5* C5* C4* C4* O4* C3* O3* PAP OAR OAS OAQ C2* O2* C1* N9 C8 N7 C5 C4 N3 C2 N1 C6 N6 torsion T019 0 O5* C5* C4* C3* O4* C3* O3* PAP OAR OAS OAQ C2* O2* C1* N9 C8 N7 C5 C4 N3 C2 N1 C6 N6 torsion T020 0 C4* C3* O3* PAP PAP OAR OAS OAQ torsion T021 0 C3* O3* PAP OAQ OAR OAS OAQ torsion T022 0 O4* C1* N9 C4 C8 N7 C5 C4 N3 C2 N1 C6 N6 -- Peng Zhang, Ph.D. Student Institute of Biochemistry and Cell Biology Shanghai Institutes for Biological Sciences Chinese Academy of Sciences 320 Yue-Yang Road Shanghai 20031 P.R. China Tel: 021-5492-1117 Fax: 021-5492-1116 Email: pzhang@sibs.ac.cn CCP4bb navigationCCP4bb <-- 2007 <-- April 2007 <-- 25 April 2007 |
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