NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype |
|
|
31541 |
1eii   |
4682 | cing | 2-parsed | STAR | entry | full |
data_1eii_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1eii
_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_1eii 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1eii
_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 1eii "Master copy" parsed_1eii
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1eii
_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 1eii.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1eii 1
1 1eii.mr . . unknown 2 distance NOE simple 0 parsed_1eii 1
1 1eii.mr . . unknown 3 sequence "Not applicable" "Not applicable" 0 parsed_1eii 1
1 1eii.mr . . PDB 4 coordinate initial "Not applicable" 0 parsed_1eii 1
1 1eii.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1eii 1
1 1eii.mr . . TINKER 6 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1eii 1
1 1eii.mr . . TINKER 7 distance NOE simple 0 parsed_1eii 1
1 1eii.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1eii 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_1eii
_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 TRANSPORT PROTEIN 25-FEB-00 1EII
*TITLE NMR STRUCTURE OF HOLO CELLULAR RETINOL-BINDING PROTEIN II
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: CELLULAR RETINOL-BINDING PROTEIN II;
*COMPND 3 CHAIN: A;
*COMPND 4 SYNONYM: CRBP-II;
*COMPND 5 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS;
*SOURCE 3 ORGANISM_COMMON: RAT;
*SOURCE 4 CELL: SMALL INTESTINAL ENTEROCYTE;
*SOURCE 5 CELLULAR_LOCATION: CYTOPLASM;
*SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE 7 EXPRESSION_SYSTEM_COMMON: BACTERIA;
*SOURCE 8 EXPRESSION_SYSTEM_STRAIN: JM101;
*SOURCE 9 EXPRESSION_SYSTEM_VECTOR: PMON-CRBP II
*KEYWDS PROTEIN-LIGAND COMPLEX, BETA BARREL, HELIX-TURN-HELIX
*EXPDTA NMR, 25 STRUCTURES
*AUTHOR J.LU, C.L.LIN, C.TANG, J.W.PONDER, J.L.KAO, D.P.CISTOLA,
*AUTHOR 2 E.LI
*REVDAT 1 09-AUG-00 1EII 0
# THIS FILE CONTAINS SIX SEPARATE FILES IN THE FOLLOWING ORDER:
# 1. holo-crbpii.noe --
# RAW DISTANCE RESTRAINT LIST IN NMRCOMPASS VERSION 2.6
# FORMAT
# 2. holo-crbpii.input --
# INPUT VALUES FOR RUNNING DISTGEOM
# 3. holo-crbpii.seq --
# AMINO ACID SEQUENCE OF RAT CRBP II
# 4. holo-crbpii.pdb --
# INITIAL STRUCTURE COORDINATES IN PDB FORMAT
# 5. holo-crbpii.xyz --
# INITIAL STRUCTURE COORDINATES IN TINKER FORMAT
# 6. holo-crbpii.key --
# COMPLETE DISTANCE AND DIHEDRAL ANGLE RESTRAINT LIST IN
# TINKER FORMAT
# ONLY THE LAST FIVE FILES WILL BE NEEDED IN ORDER TO REPRODUCE
# THE FINAL STRUCTURE ENSEMBLE.
;
save_
save_MR_file_comment_5
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1eii
_Org_constr_file_comment.ID 2
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 5
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
###################
# holo-crbpii.key #
###################
parameters /usr/local/tinker/params/protein
trial-distance pairwise 5
trial-distribution 0.61
;
save_
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