NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
467800 |
2kz1   |
cing | 2-parsed | STAR | entry | full | 43 |
data_2kz1_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2kz1
_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_2kz1 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2kz1
_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 2kz1 "Master copy" parsed_2kz1
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2kz1
_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 2kz1.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kz1 1
1 2kz1.mr . . XPLOR/CNS 2 distance NOE simple 43 parsed_2kz1 1
1 2kz1.mr . . "MR format" 3 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kz1 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_2kz1
_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 ANTIVIRAL PROTEIN 10-JUN-10 2KZ1
*TITLE INTER-MOLECULAR INTERACTIONS IN A 44 KDA INTERFERON-RECEPTOR COMPLEX
*TITLE 2 DETECTED BY ASYMMETRIC BACK-PROTONATION AND 2D NOESY
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: INTERFERON ALPHA-2;
*COMPND 3 CHAIN: A;
*COMPND 4 SYNONYM: IFN-ALPHA-2, INTERFERON ALPHA-A, LEIF A;
*COMPND 5 ENGINEERED: YES;
*COMPND 6 MOL_ID: 2;
*COMPND 7 MOLECULE: SOLUBLE IFN ALPHA/BETA RECEPTOR;
*COMPND 8 CHAIN: B;
*COMPND 9 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
*SOURCE 3 ORGANISM_COMMON: HUMAN;
*SOURCE 4 ORGANISM_TAXID: 9606;
*SOURCE 5 GENE: IFNA2;
*SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562;
*SOURCE 8 EXPRESSION_SYSTEM_STRAIN: ROSETTA;
*SOURCE 9 EXPRESSION_SYSTEM_VECTOR: PTZT7U18;
*SOURCE 10 MOL_ID: 2;
*SOURCE 11 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
*SOURCE 12 ORGANISM_COMMON: HUMAN;
*SOURCE 13 ORGANISM_TAXID: 9606;
*SOURCE 14 GENE: IFNABR;
*SOURCE 15 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE 16 EXPRESSION_SYSTEM_TAXID: 562;
*SOURCE 17 EXPRESSION_SYSTEM_STRAIN: ROSETTA;
*SOURCE 18 EXPRESSION_SYSTEM_VECTOR: PTZT7U18
*KEYWDS INTERFERON, RECEPTOR, DOCKING, COMPLEX, ANTIVIRAL DEFENSE, CYTOKINE,
*KEYWDS 2 DISULFIDE BOND, GLYCOPROTEIN, PHARMACEUTICAL, POLYMORPHISM, SECRETED
*EXPDTA SOLUTION NMR
*NUMMDL 10
*AUTHOR I.NUDELMAN, S.R.AKABAYOV, E.SCHNUR, Z.BIRON, R.LEVY, Y.XU, D.YANG,
*AUTHOR 2 J.ANGLISTER
*REVDAT 1 23-JUN-10 2KZ1 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2kz1
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 2
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . parsed_2kz1 1
2 1 . . . parsed_2kz1 1
3 1 . . . parsed_2kz1 1
4 1 . . . parsed_2kz1 1
5 1 . . . parsed_2kz1 1
6 1 . . . parsed_2kz1 1
7 1 . . . parsed_2kz1 1
8 1 . . . parsed_2kz1 1
9 1 . . . parsed_2kz1 1
10 1 . . . parsed_2kz1 1
11 1 . . . parsed_2kz1 1
12 1 . . . parsed_2kz1 1
13 1 . . . parsed_2kz1 1
14 1 . . . parsed_2kz1 1
15 1 . . . parsed_2kz1 1
16 1 . . . parsed_2kz1 1
17 1 . . . parsed_2kz1 1
18 1 . . . parsed_2kz1 1
19 1 . . . parsed_2kz1 1
20 1 . . . parsed_2kz1 1
21 1 . . . parsed_2kz1 1
22 1 . . . parsed_2kz1 1
23 1 . . . parsed_2kz1 1
24 1 . . . parsed_2kz1 1
25 1 . . . parsed_2kz1 1
26 1 . . . parsed_2kz1 1
27 1 . . . parsed_2kz1 1
28 1 . . . parsed_2kz1 1
29 1 . . . parsed_2kz1 1
30 1 . . . parsed_2kz1 1
31 1 . . . parsed_2kz1 1
32 1 . . . parsed_2kz1 1
33 1 . . . parsed_2kz1 1
34 1 . . . parsed_2kz1 1
35 1 . . . parsed_2kz1 1
36 1 . . . parsed_2kz1 1
37 1 . . . parsed_2kz1 1
38 1 . . . parsed_2kz1 1
39 1 . . . parsed_2kz1 1
40 1 . . . parsed_2kz1 1
41 1 . . . parsed_2kz1 1
42 1 . . . parsed_2kz1 1
43 1 . . . parsed_2kz1 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 . . . . . . . . A 48 . HB* parsed_2kz1 1
1 1 2 . . . . . . . . B 35 . HN parsed_2kz1 1
2 1 1 . . . . . . . . A 48 . HG* parsed_2kz1 1
2 1 2 . . . . . . . . B 35 . HN parsed_2kz1 1
3 1 1 . . . . . . . . A 48 . HD* parsed_2kz1 1
3 1 2 . . . . . . . . B 35 . HN parsed_2kz1 1
4 1 1 . . . . . . . . A 48 . HE* parsed_2kz1 1
4 1 2 . . . . . . . . B 35 . HN parsed_2kz1 1
5 1 1 . . . . . . . . A 48 . NZ parsed_2kz1 1
5 1 2 . . . . . . . . B 35 . OD* parsed_2kz1 1
6 1 1 . . . . . . . . A 77 . OE* parsed_2kz1 1
6 1 2 . . . . . . . . B 149 . NH* parsed_2kz1 1
7 1 1 . . . . . . . . A 76 . ND1 parsed_2kz1 1
7 1 1 . . . . . . . . A 76 . NE2 parsed_2kz1 1
7 1 2 . . . . . . . . B 152 . OG parsed_2kz1 1
8 1 1 . . . . . . . . A 46 . HE* parsed_2kz1 1
8 1 1 . . . . . . . . A 46 . HG* parsed_2kz1 1
8 1 2 . . . . . . . . B 144 . HD* parsed_2kz1 1
8 1 2 . . . . . . . . B 144 . HG* parsed_2kz1 1
9 1 1 . . . . . . . . B 27 . HZ parsed_2kz1 1
9 1 2 . . . . . . . . A 82 . HG1* parsed_2kz1 1
10 1 1 . . . . . . . . B 27 . HZ parsed_2kz1 1
10 1 2 . . . . . . . . A 80 . HG1* parsed_2kz1 1
11 1 1 . . . . . . . . B 27 . HZ parsed_2kz1 1
11 1 2 . . . . . . . . A 52 . HD1* parsed_2kz1 1
12 1 1 . . . . . . . . B 27 . HZ parsed_2kz1 1
12 1 2 . . . . . . . . A 82 . HG2* parsed_2kz1 1
13 1 1 . . . . . . . . B 27 . HZ parsed_2kz1 1
13 1 2 . . . . . . . . A 80 . HG2* parsed_2kz1 1
14 1 1 . . . . . . . . B 27 . HZ parsed_2kz1 1
14 1 2 . . . . . . . . A 52 . HD2* parsed_2kz1 1
15 1 1 . . . . . . . . B 27 . HZ parsed_2kz1 1
15 1 2 . . . . . . . . A 44 . HG2* parsed_2kz1 1
16 1 1 . . . . . . . . B 27 . HE* parsed_2kz1 1
16 1 2 . . . . . . . . A 82 . HG1* parsed_2kz1 1
17 1 1 . . . . . . . . B 27 . HE* parsed_2kz1 1
17 1 2 . . . . . . . . A 80 . HG1* parsed_2kz1 1
18 1 1 . . . . . . . . B 27 . HE* parsed_2kz1 1
18 1 2 . . . . . . . . A 52 . HD1* parsed_2kz1 1
19 1 1 . . . . . . . . B 27 . HE* parsed_2kz1 1
19 1 2 . . . . . . . . A 82 . HG2* parsed_2kz1 1
20 1 1 . . . . . . . . B 27 . HE* parsed_2kz1 1
20 1 2 . . . . . . . . A 80 . HG2* parsed_2kz1 1
21 1 1 . . . . . . . . B 27 . HE* parsed_2kz1 1
21 1 2 . . . . . . . . A 52 . HD2* parsed_2kz1 1
22 1 1 . . . . . . . . B 27 . HE* parsed_2kz1 1
22 1 2 . . . . . . . . A 44 . HG2* parsed_2kz1 1
23 1 1 . . . . . . . . B 27 . HD* parsed_2kz1 1
23 1 2 . . . . . . . . A 82 . HG1* parsed_2kz1 1
24 1 1 . . . . . . . . B 27 . HD* parsed_2kz1 1
24 1 2 . . . . . . . . A 80 . HG1* parsed_2kz1 1
25 1 1 . . . . . . . . B 27 . HD* parsed_2kz1 1
25 1 2 . . . . . . . . A 52 . HD1* parsed_2kz1 1
26 1 1 . . . . . . . . B 27 . HD* parsed_2kz1 1
26 1 2 . . . . . . . . A 82 . HG2* parsed_2kz1 1
27 1 1 . . . . . . . . B 27 . HD* parsed_2kz1 1
27 1 2 . . . . . . . . A 80 . HG2* parsed_2kz1 1
28 1 1 . . . . . . . . B 27 . HD* parsed_2kz1 1
28 1 2 . . . . . . . . A 52 . HD2* parsed_2kz1 1
29 1 1 . . . . . . . . B 27 . HD* parsed_2kz1 1
29 1 2 . . . . . . . . A 44 . HG2* parsed_2kz1 1
30 1 1 . . . . . . . . A 100 . HD1 parsed_2kz1 1
30 1 2 . . . . . . . . B 15 . HD1* parsed_2kz1 1
31 1 1 . . . . . . . . A 100 . HD1 parsed_2kz1 1
31 1 2 . . . . . . . . B 15 . HD2* parsed_2kz1 1
32 1 1 . . . . . . . . A 100 . HE3 parsed_2kz1 1
32 1 2 . . . . . . . . B 15 . HD1* parsed_2kz1 1
33 1 1 . . . . . . . . A 100 . HE3 parsed_2kz1 1
33 1 2 . . . . . . . . B 15 . HD2* parsed_2kz1 1
34 1 1 . . . . . . . . A 100 . HH2 parsed_2kz1 1
34 1 1 . . . . . . . . A 100 . HZ2 parsed_2kz1 1
34 1 1 . . . . . . . . A 100 . HZ3 parsed_2kz1 1
34 1 2 . . . . . . . . B 15 . HD1* parsed_2kz1 1
35 1 1 . . . . . . . . A 100 . HH2 parsed_2kz1 1
35 1 1 . . . . . . . . A 100 . HZ2 parsed_2kz1 1
35 1 1 . . . . . . . . A 100 . HZ3 parsed_2kz1 1
35 1 2 . . . . . . . . B 15 . HD2* parsed_2kz1 1
36 1 1 . . . . . . . . A 100 . HH2 parsed_2kz1 1
36 1 1 . . . . . . . . A 100 . HZ2 parsed_2kz1 1
36 1 1 . . . . . . . . A 100 . HZ3 parsed_2kz1 1
36 1 2 . . . . . . . . B 15 . HD1* parsed_2kz1 1
37 1 1 . . . . . . . . A 100 . HH2 parsed_2kz1 1
37 1 1 . . . . . . . . A 100 . HZ2 parsed_2kz1 1
37 1 1 . . . . . . . . A 100 . HZ3 parsed_2kz1 1
37 1 2 . . . . . . . . B 15 . HD2* parsed_2kz1 1
38 1 1 . . . . . . . . A 76 . HD2 parsed_2kz1 1
38 1 2 . . . . . . . . B 153 . HD2* parsed_2kz1 1
39 1 1 . . . . . . . . A 76 . HD2 parsed_2kz1 1
39 1 2 . . . . . . . . B 153 . HD1* parsed_2kz1 1
40 1 1 . . . . . . . . A 76 . HE1 parsed_2kz1 1
40 1 2 . . . . . . . . B 15 . HD1* parsed_2kz1 1
41 1 1 . . . . . . . . A 76 . HE1 parsed_2kz1 1
41 1 2 . . . . . . . . B 15 . HD2* parsed_2kz1 1
42 1 1 . . . . . . . . A 76 . HE1 parsed_2kz1 1
42 1 2 . . . . . . . . B 12 . HG* parsed_2kz1 1
43 1 1 . . . . . . . . A 187 . HE1 parsed_2kz1 1
43 1 2 . . . . . . . . B 12 . HD* parsed_2kz1 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 3.0 1.8 4.0 parsed_2kz1 1
2 1 . . . . . 3.0 1.8 4.0 parsed_2kz1 1
3 1 . . . . . 3.0 1.8 4.0 parsed_2kz1 1
4 1 . . . . . 3.0 1.8 4.0 parsed_2kz1 1
5 1 . . . . . 6.0 3.0 7.0 parsed_2kz1 1
6 1 . . . . . 6.0 3.0 7.0 parsed_2kz1 1
7 1 . . . . . 6.0 3.0 7.0 parsed_2kz1 1
8 1 . . . . . 3.0 1.8 4.0 parsed_2kz1 1
9 1 . . . . . 3.182 1.800 4.132 parsed_2kz1 1
10 1 . . . . . 3.587 1.800 4.648 parsed_2kz1 1
11 1 . . . . . 3.587 1.800 4.648 parsed_2kz1 1
12 1 . . . . . 3.398 1.8000 4.4174 parsed_2kz1 1
13 1 . . . . . 3.069 1.800 3.990 parsed_2kz1 1
14 1 . . . . . 3.069 1.800 3.990 parsed_2kz1 1
15 1 . . . . . 4.139 1.800 5.381 parsed_2kz1 1
16 1 . . . . . 3.223 1.800 4.193 parsed_2kz1 1
17 1 . . . . . 3.559 1.800 4.629 parsed_2kz1 1
18 1 . . . . . 3.559 1.800 4.629 parsed_2kz1 1
19 1 . . . . . 3.5 1.80 4.55 parsed_2kz1 1
20 1 . . . . . 3.1 1.80 4.03 parsed_2kz1 1
21 1 . . . . . 3.1 1.80 4.03 parsed_2kz1 1
22 1 . . . . . 4.2 1.80 5.46 parsed_2kz1 1
23 1 . . . . . 3.157 1.800 4.104 parsed_2kz1 1
24 1 . . . . . 3.780 1.800 4.914 parsed_2kz1 1
25 1 . . . . . 3.780 1.800 4.914 parsed_2kz1 1
26 1 . . . . . 3.2 1.80 4.16 parsed_2kz1 1
27 1 . . . . . 2.938 1.800 3.818 parsed_2kz1 1
28 1 . . . . . 2.938 1.800 3.818 parsed_2kz1 1
29 1 . . . . . 4.5 1.80 5.85 parsed_2kz1 1
30 1 . . . . . 3.768 1.8000 4.8984 parsed_2kz1 1
31 1 . . . . . 4.380 1.800 5.694 parsed_2kz1 1
32 1 . . . . . 3.554 1.8000 4.6202 parsed_2kz1 1
33 1 . . . . . 4.5 1.80 5.85 parsed_2kz1 1
34 1 . . . . . 3.601 1.8000 4.6813 parsed_2kz1 1
35 1 . . . . . 3.611 1.8000 4.6943 parsed_2kz1 1
36 1 . . . . . 4.5 1.80 5.85 parsed_2kz1 1
37 1 . . . . . 4.5 1.80 5.85 parsed_2kz1 1
38 1 . . . . . 3.008 1.800 3.908 parsed_2kz1 1
39 1 . . . . . 3.964 1.800 5.164 parsed_2kz1 1
40 1 . . . . . 3.554 1.8000 4.6202 parsed_2kz1 1
41 1 . . . . . 4.130 1.800 5.370 parsed_2kz1 1
42 1 . . . . . 3.544 1.800 4.604 parsed_2kz1 1
43 1 . . . . . 3.679 1.800 4.779 parsed_2kz1 1
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1
;
!!!!!copied from file noe_dmc_17072006.tbl
NOE constraint
;
1 1 2 16 parsed_2kz1 1
2 "Distances from DMC constraints" 13 1 13 33 parsed_2kz1 1
3
;
!!!! NOE's list from r2ali_a2aro_mix50_400x1k.xpk
!! spin system number 4
peak number 4
;
25 1 29 17 parsed_2kz1 1
4 "peak number 6" 33 1 33 16 parsed_2kz1 1
5 "peak number 8" 38 1 38 16 parsed_2kz1 1
6 "peak number 9" 42 1 42 16 parsed_2kz1 1
7 "peak number 14" 47 1 47 17 parsed_2kz1 1
8 "peak number 5" 51 1 51 17 parsed_2kz1 1
9 "peak number 7" 55 1 55 16 parsed_2kz1 1
10 "peak number 8" 60 1 60 16 parsed_2kz1 1
11 "peak number 9" 64 1 64 16 parsed_2kz1 1
12 "peak number 14" 69 1 69 17 parsed_2kz1 1
13
;
!! spin system number 5
peak number 10
;
73 1 75 17 parsed_2kz1 1
14 "peak number 11" 79 1 79 17 parsed_2kz1 1
15 "peak number 13" 84 1 84 17 parsed_2kz1 1
16 "peak number 12" 88 1 88 17 parsed_2kz1 1
17 "peak number 16" 93 1 93 17 parsed_2kz1 1
18
;
!!!! NOE's from r2aro_a2ali_mix50_400x1k.xpk
!! spin system number 3
peak number 4
;
97 1 101 16 parsed_2kz1 1
19 "peak number 5" 105 1 105 16 parsed_2kz1 1
20
;
!! spin system number 7
peak number 15
;
109 1 111 17 parsed_2kz1 1
21 "peak number 16" 115 1 115 17 parsed_2kz1 1
22
;
!! spin system number 2
peak number 1
;
119 1 121 16 parsed_2kz1 1
23 "peak number 2" 125 1 125 16 parsed_2kz1 1
24
;
!! spin system number 8
peak number 18
;
129 1 131 17 parsed_2kz1 1
25 "peak number 19" 135 1 135 17 parsed_2kz1 1
26
;
!! spin system number 5
peak number 12
;
139 1 141 17 parsed_2kz1 1
27 "peak number 13" 145 1 145 17 parsed_2kz1 1
28
;
!! spin system number 6
peak number 15
;
149 1 151 17 parsed_2kz1 1
29 "peak number 16" 155 1 155 17 parsed_2kz1 1
30 "peak number 17" 159 1 159 17 parsed_2kz1 1
31 "peak number 20" 163 1 163 18 parsed_2kz1 1
stop_
save_
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