Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype |
|
|
465643 | 2kuo RC | 16744 | cing | 4-filtered-FRED | STAR | entry | full |
data_FRED_restraints_with_modified_coordinates_PDB_code_2kuo
# This FRED archive file contains, for PDB entry <2kuo>:
#
# - Coordinates and sequence information from the PDB mmCIF file
# - NMR restraints from the PDB MR file
#
# In this file, the coordinates and NMR restraints share the same atom names,
# and in this way can differ from the data deposited at the wwPDB. To achieve
# this aim, the NMR restraints were parsed from their original format files, and
# the coordinates and NMR restraints information were subsequently harmonized.
#
# Due to the complexity of this harmonization process and the filtering process
# used in creating these files, the NMR restraints information in these files
# may differ significantly from that in the originally deposited file. Other
# modifications could have occurred to the NMR restraints information, or data
# could have been lost because of parsing or conversion errors. The PDB file
# remains the authoritative reference for the atomic coordinates and the
# originally deposited restraints files remain the primary reference for these
# data.
#
# This file is generated at the BioMagResBank (BMRB) in collaboration with the
# PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and
# the CMBI/IMM group at the Radboud University of Nijmegen.
#
# Several software packages were used to produce this file:
#
# - Wattos (BMRB and CMBI/IMM).
# - FormatConverter and NMRStarExport (PDBe).
# - CCPN framework (http://www.ccpn.ac.uk/).
#
# More information about this process can be found in the references below.
# Please cite the original reference for this PDB entry.
#
# JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL
# Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED
# containing converted and filtered sets of experimental NMR restraints and
# coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12.
#
# WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL
# Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy:
# development of a software pipeline. Proteins 59, 687-696.
#
# JF Doreleijers, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister,
# G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for
# 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389–396.
save_Conversion_project_for_entry_Name_1
_Study_list.Sf_category study_list
_Study_list.Entry_ID 1
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 "Conversion project for entry 1" NMR . 1 1
stop_
save_
save_originalConstraints_1
_Entry.Sf_category entry_information
_Entry.ID 1
_Entry.Title "Data for entry 1"
_Entry.NMR_STAR_version 3.1.0.8
_Entry.Experimental_method NMR
_Entry.Details .
save_
save_assembly_2kuo
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 2kuo
_Assembly.Number_of_components 3
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state unknown
_Assembly.Molecular_mass 130.82
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 . 1 $Aprataxin_and_PNK_like_factor A . 1 1
2 . 2 $ZINC_ION B . 1 1
3 . 2 $ZINC_ION C . 1 1
stop_
loop_
_PDBX_nonpoly_scheme.Entity_assembly_ID
_PDBX_nonpoly_scheme.Entity_ID
_PDBX_nonpoly_scheme.Mon_ID
_PDBX_nonpoly_scheme.Comp_index_ID
_PDBX_nonpoly_scheme.Comp_ID
_PDBX_nonpoly_scheme.Entry_ID
_PDBX_nonpoly_scheme.Assembly_ID
2 2 ZN 1 ZN 1 1
3 2 ZN 1 ZN 1 1
stop_
save_
save_Aprataxin_and_PNK_like_factor
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "Aprataxin and PNK like factor"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code GSKATDSVLQGSEGNKVKRTSCMYGANCYRKNPVHFQHFSHPGDSDYGGVQIVGQDETDDRPECPYGPSCYRKNPQHKIEYRHNTLPVRNV
_Entity.Number_of_monomers 91
loop_
_Entity_comp_index.ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 GLY . 1 1
2 SER . 1 1
3 LYS . 1 1
4 ALA . 1 1
5 THR . 1 1
6 ASP . 1 1
7 SER . 1 1
8 VAL . 1 1
9 LEU . 1 1
10 GLN . 1 1
11 GLY . 1 1
12 SER . 1 1
13 GLU . 1 1
14 GLY . 1 1
15 ASN . 1 1
16 LYS . 1 1
17 VAL . 1 1
18 LYS . 1 1
19 ARG . 1 1
20 THR . 1 1
21 SER . 1 1
22 CYS . 1 1
23 MET . 1 1
24 TYR . 1 1
25 GLY . 1 1
26 ALA . 1 1
27 ASN . 1 1
28 CYS . 1 1
29 TYR . 1 1
30 ARG . 1 1
31 LYS . 1 1
32 ASN . 1 1
33 PRO . 1 1
34 VAL . 1 1
35 HIS . 1 1
36 PHE . 1 1
37 GLN . 1 1
38 HIS . 1 1
39 PHE . 1 1
40 SER . 1 1
41 HIS . 1 1
42 PRO . 1 1
43 GLY . 1 1
44 ASP . 1 1
45 SER . 1 1
46 ASP . 1 1
47 TYR . 1 1
48 GLY . 1 1
49 GLY . 1 1
50 VAL . 1 1
51 GLN . 1 1
52 ILE . 1 1
53 VAL . 1 1
54 GLY . 1 1
55 GLN . 1 1
56 ASP . 1 1
57 GLU . 1 1
58 THR . 1 1
59 ASP . 1 1
60 ASP . 1 1
61 ARG . 1 1
62 PRO . 1 1
63 GLU . 1 1
64 CYS . 1 1
65 PRO . 1 1
66 TYR . 1 1
67 GLY . 1 1
68 PRO . 1 1
69 SER . 1 1
70 CYS . 1 1
71 TYR . 1 1
72 ARG . 1 1
73 LYS . 1 1
74 ASN . 1 1
75 PRO . 1 1
76 GLN . 1 1
77 HIS . 1 1
78 LYS . 1 1
79 ILE . 1 1
80 GLU . 1 1
81 TYR . 1 1
82 ARG . 1 1
83 HIS . 1 1
84 ASN . 1 1
85 THR . 1 1
86 LEU . 1 1
87 PRO . 1 1
88 VAL . 1 1
89 ARG . 1 1
90 ASN . 1 1
91 VAL . 1 1
stop_
loop_
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
GLY 1 1 1 1
SER 2 2 1 1
LYS 3 3 1 1
ALA 4 4 1 1
THR 5 5 1 1
ASP 6 6 1 1
SER 7 7 1 1
VAL 8 8 1 1
LEU 9 9 1 1
GLN 10 10 1 1
GLY 11 11 1 1
SER 12 12 1 1
GLU 13 13 1 1
GLY 14 14 1 1
ASN 15 15 1 1
LYS 16 16 1 1
VAL 17 17 1 1
LYS 18 18 1 1
ARG 19 19 1 1
THR 20 20 1 1
SER 21 21 1 1
CYS 22 22 1 1
MET 23 23 1 1
TYR 24 24 1 1
GLY 25 25 1 1
ALA 26 26 1 1
ASN 27 27 1 1
CYS 28 28 1 1
TYR 29 29 1 1
ARG 30 30 1 1
LYS 31 31 1 1
ASN 32 32 1 1
PRO 33 33 1 1
VAL 34 34 1 1
HIS 35 35 1 1
PHE 36 36 1 1
GLN 37 37 1 1
HIS 38 38 1 1
PHE 39 39 1 1
SER 40 40 1 1
HIS 41 41 1 1
PRO 42 42 1 1
GLY 43 43 1 1
ASP 44 44 1 1
SER 45 45 1 1
ASP 46 46 1 1
TYR 47 47 1 1
GLY 48 48 1 1
GLY 49 49 1 1
VAL 50 50 1 1
GLN 51 51 1 1
ILE 52 52 1 1
VAL 53 53 1 1
GLY 54 54 1 1
GLN 55 55 1 1
ASP 56 56 1 1
GLU 57 57 1 1
THR 58 58 1 1
ASP 59 59 1 1
ASP 60 60 1 1
ARG 61 61 1 1
PRO 62 62 1 1
GLU 63 63 1 1
CYS 64 64 1 1
PRO 65 65 1 1
TYR 66 66 1 1
GLY 67 67 1 1
PRO 68 68 1 1
SER 69 69 1 1
CYS 70 70 1 1
TYR 71 71 1 1
ARG 72 72 1 1
LYS 73 73 1 1
ASN 74 74 1 1
PRO 75 75 1 1
GLN 76 76 1 1
HIS 77 77 1 1
LYS 78 78 1 1
ILE 79 79 1 1
GLU 80 80 1 1
TYR 81 81 1 1
ARG 82 82 1 1
HIS 83 83 1 1
ASN 84 84 1 1
THR 85 85 1 1
LEU 86 86 1 1
PRO 87 87 1 1
VAL 88 88 1 1
ARG 89 89 1 1
ASN 90 90 1 1
VAL 91 91 1 1
stop_
save_
save_ZINC_ION
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 2
_Entity.Name "ZINC ION"
_Entity.Type non-polymer
loop_
_Entity_comp_index.ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 ZN $ZN 1 2
stop_
save_
save_ZN
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID ZN
_Chem_comp.Type non-polymer
save_
save_conformer_family_coord_set_1
_Conformer_family_coord_set.Sf_category conformer_family_coord_set
_Conformer_family_coord_set.Entry_ID 1
_Conformer_family_coord_set.ID 1
loop_
_Atom_site.Model_ID
_Atom_site.ID
_Atom_site.Label_entity_assembly_ID
_Atom_site.Label_entity_ID
_Atom_site.Label_comp_index_ID
_Atom_site.Label_comp_ID
_Atom_site.Label_atom_ID
_Atom_site.Type_symbol
_Atom_site.Cartn_x
_Atom_site.Cartn_y
_Atom_site.Cartn_z
_Atom_site.Occupancy
_Atom_site.Uncertainty
_Atom_site.PDBX_label_asym_ID
_Atom_site.PDB_strand_ID
_Atom_site.PDB_ins_code
_Atom_site.PDB_residue_no
_Atom_site.PDB_residue_name
_Atom_site.PDB_atom_name
_Atom_site.Entry_ID
_Atom_site.Conformer_family_coord_set_ID
1 1 2 2 1 ZN ZN ZN 3.677 14.623 -13.462 1.00 . B A . 449 ZN ZN 1 1
1 2 3 2 1 ZN ZN ZN 5.076 -15.212 -2.901 1.00 . C A . 450 ZN ZN 1 1
2 3 2 2 1 ZN ZN ZN 3.613 14.633 -13.396 1.00 . B A . 449 ZN ZN 1 1
2 4 3 2 1 ZN ZN ZN 32.046 2.181 -1.464 1.00 . C A . 450 ZN ZN 1 1
3 5 2 2 1 ZN ZN ZN 3.757 14.341 -13.508 1.00 . B A . 449 ZN ZN 1 1
3 6 3 2 1 ZN ZN ZN 22.121 -10.602 -11.391 1.00 . C A . 450 ZN ZN 1 1
4 7 2 2 1 ZN ZN ZN 3.885 14.772 -13.251 1.00 . B A . 449 ZN ZN 1 1
4 8 3 2 1 ZN ZN ZN 18.115 -16.278 -1.599 1.00 . C A . 450 ZN ZN 1 1
5 9 2 2 1 ZN ZN ZN 3.645 14.934 -13.434 1.00 . B A . 449 ZN ZN 1 1
5 10 3 2 1 ZN ZN ZN 20.138 -11.225 -15.469 1.00 . C A . 450 ZN ZN 1 1
6 11 2 2 1 ZN ZN ZN 3.755 14.563 -13.347 1.00 . B A . 449 ZN ZN 1 1
6 12 3 2 1 ZN ZN ZN 28.583 -3.523 -10.062 1.00 . C A . 450 ZN ZN 1 1
7 13 2 2 1 ZN ZN ZN 4.124 15.467 -13.691 1.00 . B A . 449 ZN ZN 1 1
7 14 3 2 1 ZN ZN ZN 11.619 -13.234 -10.162 1.00 . C A . 450 ZN ZN 1 1
8 15 2 2 1 ZN ZN ZN 3.755 14.436 -13.458 1.00 . B A . 449 ZN ZN 1 1
8 16 3 2 1 ZN ZN ZN 3.325 -16.128 -3.243 1.00 . C A . 450 ZN ZN 1 1
9 17 2 2 1 ZN ZN ZN 3.753 14.716 -13.184 1.00 . B A . 449 ZN ZN 1 1
9 18 3 2 1 ZN ZN ZN 13.114 -15.444 5.835 1.00 . C A . 450 ZN ZN 1 1
10 19 2 2 1 ZN ZN ZN 3.799 14.581 -13.204 1.00 . B A . 449 ZN ZN 1 1
10 20 3 2 1 ZN ZN ZN 13.362 -15.530 -12.166 1.00 . C A . 450 ZN ZN 1 1
11 21 2 2 1 ZN ZN ZN 3.592 14.684 -13.517 1.00 . B A . 449 ZN ZN 1 1
11 22 3 2 1 ZN ZN ZN 31.230 3.662 -5.761 1.00 . C A . 450 ZN ZN 1 1
12 23 2 2 1 ZN ZN ZN 4.048 15.411 -13.701 1.00 . B A . 449 ZN ZN 1 1
12 24 3 2 1 ZN ZN ZN 24.532 -7.510 -10.947 1.00 . C A . 450 ZN ZN 1 1
13 25 2 2 1 ZN ZN ZN 3.815 14.259 -13.477 1.00 . B A . 449 ZN ZN 1 1
13 26 3 2 1 ZN ZN ZN 23.378 -12.801 -0.186 1.00 . C A . 450 ZN ZN 1 1
14 27 2 2 1 ZN ZN ZN 3.918 14.878 -13.151 1.00 . B A . 449 ZN ZN 1 1
14 28 3 2 1 ZN ZN ZN 5.253 -17.170 -8.859 1.00 . C A . 450 ZN ZN 1 1
15 29 2 2 1 ZN ZN ZN 3.659 14.815 -13.318 1.00 . B A . 449 ZN ZN 1 1
15 30 3 2 1 ZN ZN ZN 18.020 -10.266 -13.181 1.00 . C A . 450 ZN ZN 1 1
16 31 2 2 1 ZN ZN ZN 3.683 14.625 -13.350 1.00 . B A . 449 ZN ZN 1 1
16 32 3 2 1 ZN ZN ZN 29.947 -3.048 -5.119 1.00 . C A . 450 ZN ZN 1 1
17 33 2 2 1 ZN ZN ZN 3.478 14.373 -13.598 1.00 . B A . 449 ZN ZN 1 1
17 34 3 2 1 ZN ZN ZN 27.255 -4.981 1.797 1.00 . C A . 450 ZN ZN 1 1
18 35 2 2 1 ZN ZN ZN 3.812 15.201 -13.388 1.00 . B A . 449 ZN ZN 1 1
18 36 3 2 1 ZN ZN ZN 12.821 -16.009 -8.786 1.00 . C A . 450 ZN ZN 1 1
19 37 2 2 1 ZN ZN ZN 3.607 14.806 -13.452 1.00 . B A . 449 ZN ZN 1 1
19 38 3 2 1 ZN ZN ZN 27.310 -5.805 -5.526 1.00 . C A . 450 ZN ZN 1 1
20 39 2 2 1 ZN ZN ZN 3.636 14.304 -13.581 1.00 . B A . 449 ZN ZN 1 1
20 40 3 2 1 ZN ZN ZN 28.180 1.094 -7.267 1.00 . C A . 450 ZN ZN 1 1
stop_
save_