links and REMARK 3 record in the final PDB
Dear All, I apologize if this question has already been answered. I am refining a structure of a glycosylated-enzyme and I understood the way to define all the links (N-glycosylation to the ASN and beta-glycosidic bonds between the NAG units) and refinement is complete and everything is good. All the links I included in my cif_link definition file where taken into account and dealt with by Phenix (the .def and .geo files are fine). Is it normal however that in the resulting refined PDB file, no such links are written by PHENIX under the REMARK 3 record ? Same thing for the 5 disulfide bonds present in the protein. Thanks in advance for the clarification. Pascal Egea University of California San Francisco Department of Biochemistry and Biophysics Laboratory of Robert Stroud
Hi Pascal, phenix.refine does not write any LINK records to PDB file with refined model or any similar geometry restraints information. All this information (all the information about geometry restraints used in refinement) is stored in .geo file. Pavel. On 2/23/09 11:33 AM, Pascal Egea wrote:
Dear All,
I apologize if this question has already been answered. I am refining a structure of a glycosylated-enzyme and I understood the way to define all the links (N-glycosylation to the ASN and beta-glycosidic bonds between the NAG units) and refinement is complete and everything is good. All the links I included in my cif_link definition file where taken into account and dealt with by Phenix (the .def and .geo files are fine). Is it normal however that in the resulting refined PDB file, no such links are written by PHENIX under the REMARK 3 record ? Same thing for the 5 disulfide bonds present in the protein.
Thanks in advance for the clarification.
Pascal Egea University of California San Francisco Department of Biochemistry and Biophysics Laboratory of Robert Stroud
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To add to Pavel's reply, I decided not to read or write LINK records since this would generate redundant information and may lead to confusion (which one is used?). Unfortunately, LINK records don't have space for all the information for the restraints (ideal distance, esd), which forced us to move the information into the .def file. (I didn't want/dare to venture into extending the pdb format.) Ralf
participants (3)
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Pascal Egea
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Pavel Afonine
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Ralf W. Grosse-Kunstleve