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 |
|
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30552 |
1ctl   |
cing | 2-parsed | STAR | entry | full |
data_1ctl_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1ctl
_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_1ctl 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1ctl
_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 1ctl "Master copy" parsed_1ctl
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1ctl
_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 1ctl.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1ctl 1
1 1ctl.mr . . DSPACE 2 distance "general distance" simple 0 parsed_1ctl 1
1 1ctl.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 parsed_1ctl 1
1 1ctl.mr . . DSPACE 4 distance "general distance" simple 0 parsed_1ctl 1
1 1ctl.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1ctl 1
1 1ctl.mr . . DSPACE 6 distance "hydrogen bond" simple 0 parsed_1ctl 1
1 1ctl.mr . . n/a 7 comment "Not applicable" "Not applicable" 0 parsed_1ctl 1
1 1ctl.mr . . DSPACE 8 distance "hydrogen bond" simple 0 parsed_1ctl 1
1 1ctl.mr . . n/a 9 comment "Not applicable" "Not applicable" 0 parsed_1ctl 1
1 1ctl.mr . . DSPACE 10 distance NOE simple 0 parsed_1ctl 1
1 1ctl.mr . . "MR format" 11 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1ctl 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_1ctl
_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 METAL-BINDING PROTEIN 06-JAN-95 1CTL
*COMPND MOLECULE: AVIAN CYSTEINE RICH PROTEIN;
*COMPND 2 DOMAIN: C-TERMINAL LIM DOMAIN;
*COMPND 3 SYNONYMS: LIM2, ZN-LIM2, CCRP-LIM2, CRP-LIM2,
*COMPND 4 ZN(II)-CRP-LIM2;
*COMPND 5 EXPERIMENT: NMR, 18 STRUCTURES
*SOURCE MOLECULE: AVIAN CYSTEINE RICH PROTEIN;
*SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS;
*SOURCE 3 ORGANISM_COMMON: CHICKEN; TISSUE: SMOOTH MUSCLE;
*SOURCE 4 ORGAN: GIZZARD;
*SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);
*SOURCE 7 EXPRESSION_SYSTEM_PLASMID: PAED4-LIM2
*KEYWDS LIM DOMAIN CONTAINING PROTEINS
*EXPDTA NMR, 18 STRUCTURES
*AUTHOR G.C.PEREZ-ALVARADO,C.MILES,J.W.MICHELSEN,H.A.LOUIS,
*AUTHOR 2 D.R.WINGE,M.C.BECKERLE,M.F.SUMMERS
*REVDAT 1 03-JUN-95 1CTL 0
References:
G.C. Perez-Alvarado, C. Miles, J.W. Michelsen, H. A. Louis,
D. R. Winge, M.C. Beckerle and M.F. Summers (1994) Structure
of the carboxy-terminal LIM domain from the Cysteine Rich Protein CRP
Nature Struct. Biol., 1, p388-398.
The solution NMR 3D structure of the C-terminal LIM domain
from CRP (LIM2) is based on 239 distance restraints derived
from the NOE data and 17 metal restraints. A complete list
of experimental restraints follows:
List of residues with corresponding numbering in the sequence
of the MODELS:
Met-1 Ala-2 Gln-3 Lys-4 Val-5 Gly-6 Gly-7 Ser-8 Asp-9 Gly-10
Cys-11 Pro-12 Arg-13 Cys-14 Gly-15 Gln-16 Ala-17 Val-18 Tyr-19 Ala-20
Ala-21 Glu-22 Lys-23 Val-24 Ile-25 Gly-26 Ala-27 Gly-28 Lys-29 Ser-30
Trp-31 His-32 Lys-33 Ser-34 Cys-35 Phe-36 Arg-37 Cys-38 Ala-39 Lys-40
Cys-41 Gly-42 Lys-43 Ser-44 Leu-45 Glu-46 Ser-47 Thr-48 Thr-49 Leu-50
Ala-51 Asp-52 Lys-53 Asp-54 Gly-55 Glu-56 Ile-57 Tyr-58 Cys-59 Lys-60
Gly-61 Cys-62 Tyr-63 Ala-64 Lys-65 Asn-66 Phe-67 Gly-68 Pro-69 Lys-70
Gly-71 Phe-72 Gly-73 Phe-74 Gly-75 Gln-76 Gly-77 Ala-78 Gly-79 Ala-80
Leu-81 Ile-82 His-83 Ser-84 Gln-85
*NOTE: Met-1 is removed post-translationally, but eventhough it is in
the MODELS, it was not employed for structure calculations.
The correct sequencing is found in the referenced paper, using the
numbering corresponding to the residues within the sequence of CRP.
NOE Interproton distance restraints. Distances are in Angstroms (A)
Strong 1.8 - 2.7 A
Medium 1.8 - 3.3 A
Weak 1.8 - 5.0 A
Metal restraints used to enforce Zn-S and Zn-N bond distances,
and to ensure proper hybridization of the His-Nd and Cys-Sg atoms
(distances in A)
LB= Lower Bound
UB= Upper Bound
ATOM 1 ATOM 2 distance
;
save_
save_MR_file_comment_3
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1ctl
_Org_constr_file_comment.ID 2
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 3
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
ATOM 1 ATOM 2 LB UB
;
save_
save_MR_file_comment_5
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1ctl
_Org_constr_file_comment.ID 3
_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
;
_________H-BOND RESTRAINTS___________
----------NH-S HBONDS--------------
ATOM 1 ATOM 2 LB UB
;
save_
save_MR_file_comment_7
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1ctl
_Org_constr_file_comment.ID 4
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 7
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
----------NH-O HBONDS--------------
ATOM 1 ATOM 2 LB UB
;
save_
save_MR_file_comment_9
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1ctl
_Org_constr_file_comment.ID 5
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 9
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
__________ NOE RESTRAINTS_____________
Strong 1.8 - 2.7
Medium 1.8 - 3.3
Weak 1.8 - 5.0
+0.5 for methyls
LB= Lower Bound
UB= Upper Bound
ATOM 1 ATOM 2 LB UB
;
save_
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