NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype |
|
|
37440 |
1pk2   |
cing | 2-parsed | STAR | entry | full |
data_1pk2_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1pk2
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 "Conversion project" NMR . parsed_1pk2 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1pk2
_Entry.Title "Original constraint list(s)"
_Entry.Version_type original
_Entry.Submission_date .
_Entry.Accession_date .
_Entry.Last_release_date .
_Entry.Original_release_date .
_Entry.Origination .
_Entry.NMR_STAR_version 3.1
_Entry.Original_NMR_STAR_version .
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype .
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 1pk2 "Master copy" parsed_1pk2
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1pk2
_Constraint_stat_list.ID 1
loop_
_Constraint_file.ID
_Constraint_file.Constraint_filename
_Constraint_file.Software_ID
_Constraint_file.Software_label
_Constraint_file.Software_name
_Constraint_file.Block_ID
_Constraint_file.Constraint_type
_Constraint_file.Constraint_subtype
_Constraint_file.Constraint_subsubtype
_Constraint_file.Constraint_number
_Constraint_file.Entry_ID
_Constraint_file.Constraint_stat_list_ID
1 1pk2.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1pk2 1
1 1pk2.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1pk2 1
1 1pk2.mr . . unknown 3 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1pk2 1
1 1pk2.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1pk2 1
1 1pk2.mr . . unknown 5 distance "general distance" simple 0 parsed_1pk2 1
1 1pk2.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1pk2 1
1 1pk2.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1pk2 1
stop_
save_
save_MR_file_comment_1
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1pk2
_Org_constr_file_comment.ID 1
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 1
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
*HEADER PLASMINOGEN ACTIVATOR 16-SEP-91 1PK2
*COMPND TISSUE-TYPE PLASMINOGEN ACTIVATOR (T-PA) (KRINGLE 2
*COMPND 2 DOMAIN) (E.C.3.4.21.68) (NMR, BEST STRUCTURE)
*SOURCE HUMAN (HOMO SAPIENS) RECOMBINANT FORM EXPRESSED IN
*SOURCE 2 (ESCHERICHIA COLI)
*AUTHOR M.LLINAS,I.-J.L.BYEON
*REVDAT 1 31-JAN-94 1PK2 0
;
save_
save_MR_file_comment_2
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1pk2
_Org_constr_file_comment.ID 2
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 2
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
List of NMR experimental constraints used for computing
the t-PA Kringle 2 structure.
-------------------------------------------------------
Torsion Angle Constraints
-------------------------
;
save_
save_MR_file_comment_4
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1pk2
_Org_constr_file_comment.ID 3
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 4
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
NOTE: Because of the inability to use greek letters to represent
the angles in the above format, the following symbols are used:
lower case (l.c.) omega = w
l.c. phi = f
upper case chi 1 = c1
Distance Restraints
-------------------
distance
(_)
residue atom residue atom upper
bounds
;
save_
save_MR_file_comment_6
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1pk2
_Org_constr_file_comment.ID 4
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 6
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
Distance upper bounds derived from NOE intensities unless
otherwise indicated. Lower bounds are 1.8 Angstroms for NOE-derived
distances.
Estimated from secondary structure H-bonds (Byeon et al.,1991a):
lower bounds are 1.6 Angstroms for O-NH atom pairs, and 2.4 Angstroms
for O-N atom pairs.
Estimated from kringle 2 disulfide bonds: lower bounds are
1.92 Angstroms for Sg-Sg bonds.
NOTE ON NOTATION:
Because of the inability to use greek letters to represent
the names of some atoms, ie, alpha carbon, the first letter of the
lower-case english spelling of the greek letter is used in place of
the greek letter. For example, the alpha carbon is represented as
Ca, a gamma sulphur is represented Sg, the hydrogen on the alpha
carbon is represented CHa, etc.
;
save_
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