201 lines
12 KiB
Plaintext
201 lines
12 KiB
Plaintext
# test mmCIF with assembly information
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# strippd down to resi 1-10
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# only includes chain B in the assembly
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data_4m4b
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_entry.id 4m4b
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#
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_pdbx_struct_assembly_gen.assembly_id 1
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_pdbx_struct_assembly_gen.oper_expression 1,2
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_pdbx_struct_assembly_gen.asym_id_list X,B,Z
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#
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loop_
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_pdbx_struct_oper_list.id
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_pdbx_struct_oper_list.type
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_pdbx_struct_oper_list.name
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_pdbx_struct_oper_list.symmetry_operation
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_pdbx_struct_oper_list.matrix[1][1]
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_pdbx_struct_oper_list.matrix[1][2]
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_pdbx_struct_oper_list.matrix[1][3]
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_pdbx_struct_oper_list.vector[1]
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_pdbx_struct_oper_list.matrix[2][1]
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_pdbx_struct_oper_list.matrix[2][2]
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_pdbx_struct_oper_list.matrix[2][3]
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_pdbx_struct_oper_list.vector[2]
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_pdbx_struct_oper_list.matrix[3][1]
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_pdbx_struct_oper_list.matrix[3][2]
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_pdbx_struct_oper_list.matrix[3][3]
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_pdbx_struct_oper_list.vector[3]
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1 'identity operation' 1_555 x,y,z 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000
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0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000
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2 'crystal symmetry operation' 7_555 y,x,-z 0.0000000000 1.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000
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0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000 0.0000000000
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#
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loop_
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_atom_site.group_PDB
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_atom_site.id
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_atom_site.type_symbol
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_atom_site.label_atom_id
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_atom_site.label_alt_id
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_atom_site.label_comp_id
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_atom_site.label_asym_id
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_atom_site.label_entity_id
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_atom_site.label_seq_id
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_atom_site.pdbx_PDB_ins_code
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_atom_site.Cartn_x
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_atom_site.Cartn_y
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_atom_site.Cartn_z
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_atom_site.occupancy
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_atom_site.B_iso_or_equiv
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_atom_site.pdbx_formal_charge
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_atom_site.auth_asym_id
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_atom_site.pdbx_PDB_model_num
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ATOM 1 N N . VAL A 1 1 . 18.553 8.315 -1.587 1.00 77.20 0 A 1
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ATOM 2 C CA . VAL A 1 1 . 19.920 8.345 -2.105 1.00 76.82 0 A 1
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ATOM 3 C C . VAL A 1 1 . 20.053 7.594 -3.431 1.00 79.20 0 A 1
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ATOM 4 O O . VAL A 1 1 . 19.290 6.666 -3.722 1.00 80.68 0 A 1
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ATOM 5 C CB . VAL A 1 1 . 20.927 7.750 -1.098 1.00 70.07 0 A 1
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ATOM 6 C CG1 . VAL A 1 1 . 20.734 8.374 0.282 1.00 65.77 0 A 1
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ATOM 7 C CG2 . VAL A 1 1 . 20.780 6.235 -1.027 1.00 65.23 0 A 1
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ATOM 8 N N . LEU A 1 2 . 21.019 8.021 -4.236 1.00 63.99 0 A 1
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ATOM 9 C CA . LEU A 1 2 . 21.383 7.328 -5.461 1.00 54.54 0 A 1
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ATOM 10 C C . LEU A 1 2 . 22.890 7.277 -5.484 1.00 58.34 0 A 1
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ATOM 11 O O . LEU A 1 2 . 23.545 8.319 -5.514 1.00 57.23 0 A 1
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ATOM 12 C CB . LEU A 1 2 . 20.892 8.090 -6.694 1.00 56.68 0 A 1
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ATOM 13 C CG . LEU A 1 2 . 19.416 7.947 -7.065 1.00 61.82 0 A 1
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ATOM 14 C CD1 . LEU A 1 2 . 19.019 8.965 -8.120 1.00 58.35 0 A 1
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ATOM 15 C CD2 . LEU A 1 2 . 19.166 6.551 -7.566 1.00 51.44 0 A 1
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ATOM 16 N N . SER A 1 3 . 23.442 6.072 -5.463 1.00 51.05 0 A 1
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ATOM 17 C CA . SER A 1 3 . 24.890 5.890 -5.516 1.00 43.67 0 A 1
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ATOM 18 C C . SER A 1 3 . 25.438 6.252 -6.891 1.00 53.22 0 A 1
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ATOM 19 O O . SER A 1 3 . 24.673 6.414 -7.851 1.00 51.73 0 A 1
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ATOM 20 C CB . SER A 1 3 . 25.222 4.436 -5.219 1.00 40.55 0 A 1
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ATOM 21 O OG . SER A 1 3 . 24.579 3.594 -6.159 1.00 46.91 0 A 1
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ATOM 22 N N . PRO A 1 4 . 26.770 6.394 -6.995 1.00 51.42 0 A 1
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ATOM 23 C CA . PRO A 1 4 . 27.368 6.603 -8.316 1.00 52.90 0 A 1
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ATOM 24 C C . PRO A 1 4 . 27.069 5.438 -9.260 1.00 41.60 0 A 1
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ATOM 25 O O . PRO A 1 4 . 26.920 5.646 -10.467 1.00 48.02 0 A 1
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ATOM 26 C CB . PRO A 1 4 . 28.873 6.663 -8.012 1.00 57.70 0 A 1
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ATOM 27 C CG . PRO A 1 4 . 28.950 7.205 -6.612 1.00 46.32 0 A 1
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ATOM 28 C CD . PRO A 1 4 . 27.731 6.648 -5.898 1.00 52.57 0 A 1
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ATOM 29 N N . ALA A 1 5 . 27.005 4.229 -8.718 1.00 42.68 0 A 1
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ATOM 30 C CA . ALA A 1 5 . 26.657 3.060 -9.522 1.00 48.08 0 A 1
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ATOM 31 C C . ALA A 1 5 . 25.233 3.211 -10.083 1.00 44.17 0 A 1
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ATOM 32 O O . ALA A 1 5 . 25.034 3.084 -11.297 1.00 40.68 0 A 1
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ATOM 33 C CB . ALA A 1 5 . 26.791 1.787 -8.714 1.00 42.73 0 A 1
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ATOM 34 N N . ASP A 1 6 . 24.254 3.474 -9.211 1.00 33.74 0 A 1
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ATOM 35 C CA . ASP A 1 6 . 22.884 3.714 -9.681 1.00 38.65 0 A 1
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ATOM 36 C C . ASP A 1 6 . 22.835 4.766 -10.794 1.00 38.02 0 A 1
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ATOM 37 O O . ASP A 1 6 . 22.163 4.584 -11.811 1.00 40.46 0 A 1
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ATOM 38 C CB . ASP A 1 6 . 22.000 4.207 -8.537 1.00 41.28 0 A 1
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ATOM 39 C CG . ASP A 1 6 . 21.787 3.169 -7.476 1.00 45.04 0 A 1
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ATOM 40 O OD1 . ASP A 1 6 . 21.802 1.955 -7.801 1.00 40.44 0 A 1
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ATOM 41 O OD2 . ASP A 1 6 . 21.600 3.586 -6.312 1.00 49.07 -1 A 1
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ATOM 42 N N . LYS A 1 7 . 23.549 5.872 -10.599 1.00 43.31 0 A 1
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ATOM 43 C CA . LYS A 1 7 . 23.574 6.939 -11.600 1.00 38.11 0 A 1
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ATOM 44 C C . LYS A 1 7 . 24.176 6.489 -12.933 1.00 40.69 0 A 1
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ATOM 45 O O . LYS A 1 7 . 23.652 6.813 -13.993 1.00 45.60 0 A 1
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ATOM 46 C CB . LYS A 1 7 . 24.312 8.171 -11.076 1.00 45.54 0 A 1
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ATOM 47 C CG . LYS A 1 7 . 23.732 8.702 -9.778 1.00 53.70 0 A 1
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ATOM 48 C CD . LYS A 1 7 . 24.275 10.075 -9.459 1.00 60.47 0 A 1
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ATOM 49 C CE . LYS A 1 7 . 23.922 10.446 -8.034 1.00 71.64 0 A 1
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ATOM 50 N NZ . LYS A 1 7 . 24.472 9.433 -7.094 1.00 69.79 1 A 1
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ATOM 51 N N . THR A 1 8 . 25.277 5.753 -12.901 1.00 42.80 0 A 1
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ATOM 52 C CA . THR A 1 8 . 25.798 5.254 -14.170 1.00 44.35 0 A 1
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ATOM 53 C C . THR A 1 8 . 24.860 4.204 -14.785 1.00 43.82 0 A 1
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ATOM 54 O O . THR A 1 8 . 24.699 4.172 -16.002 1.00 45.93 0 A 1
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ATOM 55 C CB . THR A 1 8 . 27.289 4.780 -14.110 1.00 57.82 0 A 1
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ATOM 57 C CG2 . THR A 1 8 . 28.231 5.977 -14.049 1.00 58.53 0 A 1
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ATOM 56 O OG1 . THR A 1 8 . 27.503 3.955 -12.960 1.00 64.62 0 A 1
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ATOM 58 N N . ASN A 1 9 . 24.227 3.365 -13.962 1.00 44.04 0 A 1
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ATOM 59 C CA . ASN A 1 9 . 23.253 2.398 -14.492 1.00 43.61 0 A 1
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ATOM 60 C C . ASN A 1 9 . 22.089 3.094 -15.211 1.00 34.32 0 A 1
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ATOM 61 O O . ASN A 1 9 . 21.693 2.720 -16.314 1.00 42.90 0 A 1
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ATOM 62 C CB . ASN A 1 9 . 22.693 1.518 -13.374 1.00 28.97 0 A 1
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ATOM 63 C CG . ASN A 1 9 . 23.702 0.494 -12.863 1.00 43.87 0 A 1
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ATOM 65 N ND2 . ASN A 1 9 . 23.508 0.039 -11.630 1.00 37.27 0 A 1
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ATOM 64 O OD1 . ASN A 1 9 . 24.630 0.106 -13.574 1.00 40.64 0 A 1
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ATOM 66 N N . VAL A 1 10 . 21.535 4.103 -14.559 1.00 33.18 0 A 1
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ATOM 67 C CA . VAL A 1 10 . 20.423 4.864 -15.116 1.00 36.37 0 A 1
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ATOM 68 C C . VAL A 1 10 . 20.829 5.605 -16.394 1.00 43.98 0 A 1
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ATOM 69 O O . VAL A 1 10 . 20.092 5.606 -17.383 1.00 40.16 0 A 1
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ATOM 70 C CB . VAL A 1 10 . 19.890 5.855 -14.074 1.00 36.38 0 A 1
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ATOM 71 C CG1 . VAL A 1 10 . 18.900 6.805 -14.708 1.00 40.17 0 A 1
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ATOM 72 C CG2 . VAL A 1 10 . 19.247 5.081 -12.886 1.00 31.50 0 A 1
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ATOM 1058 N N . VAL B 2 1 . -10.732 -14.598 -9.237 1.00 55.48 0 B 1
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ATOM 1059 C CA . VAL B 2 1 . -10.854 -13.343 -9.977 1.00 65.15 0 B 1
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ATOM 1060 C C . VAL B 2 1 . -11.370 -13.572 -11.404 1.00 66.52 0 B 1
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ATOM 1061 O O . VAL B 2 1 . -11.085 -14.603 -12.029 1.00 64.59 0 B 1
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ATOM 1062 C CB . VAL B 2 1 . -9.520 -12.539 -9.980 1.00 60.17 0 B 1
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ATOM 1063 C CG1 . VAL B 2 1 . -8.437 -13.265 -10.766 1.00 64.53 0 B 1
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ATOM 1064 C CG2 . VAL B 2 1 . -9.737 -11.141 -10.536 1.00 78.29 0 B 1
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ATOM 1065 N N . HIS B 2 2 . -12.140 -12.606 -11.900 1.00 68.25 0 B 1
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ATOM 1066 C CA . HIS B 2 2 . -12.785 -12.701 -13.207 1.00 73.94 0 B 1
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ATOM 1067 C C . HIS B 2 2 . -11.865 -12.291 -14.357 1.00 56.06 0 B 1
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ATOM 1068 O O . HIS B 2 2 . -11.654 -11.098 -14.604 1.00 63.89 0 B 1
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ATOM 1069 C CB . HIS B 2 2 . -14.051 -11.830 -13.242 1.00 85.50 0 B 1
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ATOM 1070 C CG . HIS B 2 2 . -15.192 -12.370 -12.430 1.00 98.05 0 B 1
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ATOM 1072 C CD2 . HIS B 2 2 . -15.357 -12.489 -11.090 1.00 97.35 0 B 1
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ATOM 1071 N ND1 . HIS B 2 2 . -16.350 -12.849 -13.003 1.00 104.46 0 B 1
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ATOM 1073 C CE1 . HIS B 2 2 . -17.178 -13.248 -12.051 1.00 107.65 0 B 1
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ATOM 1074 N NE2 . HIS B 2 2 . -16.599 -13.042 -10.883 1.00 107.56 0 B 1
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ATOM 1075 N N . LEU B 2 3 . -11.319 -13.279 -15.059 1.00 52.73 0 B 1
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ATOM 1076 C CA . LEU B 2 3 . -10.634 -13.024 -16.323 1.00 51.24 0 B 1
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ATOM 1077 C C . LEU B 2 3 . -11.611 -13.296 -17.473 1.00 54.66 0 B 1
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ATOM 1078 O O . LEU B 2 3 . -12.293 -14.326 -17.478 1.00 54.65 0 B 1
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ATOM 1079 C CB . LEU B 2 3 . -9.402 -13.924 -16.463 1.00 53.17 0 B 1
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ATOM 1080 C CG . LEU B 2 3 . -8.031 -13.245 -16.381 1.00 50.05 0 B 1
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ATOM 1081 C CD1 . LEU B 2 3 . -7.935 -12.441 -15.116 1.00 47.03 0 B 1
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ATOM 1082 C CD2 . LEU B 2 3 . -6.911 -14.271 -16.439 1.00 44.59 0 B 1
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ATOM 1083 N N . THR B 2 4 . -11.693 -12.367 -18.428 1.00 50.37 0 B 1
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ATOM 1084 C CA . THR B 2 4 . -12.436 -12.594 -19.670 1.00 55.03 0 B 1
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ATOM 1085 C C . THR B 2 4 . -11.678 -13.633 -20.497 1.00 51.87 0 B 1
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ATOM 1086 O O . THR B 2 4 . -10.485 -13.841 -20.272 1.00 48.70 0 B 1
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ATOM 1087 C CB . THR B 2 4 . -12.567 -11.308 -20.515 1.00 54.43 0 B 1
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ATOM 1089 C CG2 . THR B 2 4 . -13.059 -10.129 -19.664 1.00 57.91 0 B 1
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ATOM 1088 O OG1 . THR B 2 4 . -11.301 -11.000 -21.114 1.00 52.01 0 B 1
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ATOM 1090 N N . PRO B 2 5 . -12.369 -14.298 -21.444 1.00 53.51 0 B 1
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ATOM 1091 C CA . PRO B 2 5 . -11.706 -15.289 -22.302 1.00 46.25 0 B 1
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ATOM 1092 C C . PRO B 2 5 . -10.449 -14.765 -23.007 1.00 39.37 0 B 1
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ATOM 1093 O O . PRO B 2 5 . -9.463 -15.495 -23.062 1.00 47.29 0 B 1
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ATOM 1094 C CB . PRO B 2 5 . -12.798 -15.629 -23.321 1.00 48.37 0 B 1
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ATOM 1095 C CG . PRO B 2 5 . -14.042 -15.546 -22.518 1.00 47.68 0 B 1
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ATOM 1096 C CD . PRO B 2 5 . -13.837 -14.341 -21.611 1.00 41.40 0 B 1
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ATOM 1097 N N . GLU B 2 6 . -10.485 -13.534 -23.524 1.00 44.08 0 B 1
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ATOM 1098 C CA . GLU B 2 6 . -9.306 -12.932 -24.152 1.00 55.65 0 B 1
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ATOM 1099 C C . GLU B 2 6 . -8.179 -12.736 -23.131 1.00 47.42 0 B 1
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ATOM 1100 O O . GLU B 2 6 . -7.011 -12.927 -23.452 1.00 48.33 0 B 1
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ATOM 1101 C CB . GLU B 2 6 . -9.662 -11.587 -24.786 1.00 57.18 0 B 1
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ATOM 1102 C CG . GLU B 2 6 . -10.801 -11.646 -25.786 1.00 59.74 0 B 1
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ATOM 1103 C CD . GLU B 2 6 . -10.866 -10.388 -26.642 1.00 85.32 0 B 1
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ATOM 1104 O OE1 . GLU B 2 6 . -11.353 -9.344 -26.148 1.00 75.64 0 B 1
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ATOM 1105 O OE2 . GLU B 2 6 . -10.416 -10.443 -27.807 1.00 85.14 -1 B 1
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ATOM 1106 N N . GLU B 2 7 . -8.543 -12.365 -21.902 1.00 49.40 0 B 1
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ATOM 1107 C CA . GLU B 2 7 . -7.586 -12.305 -20.788 1.00 50.45 0 B 1
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ATOM 1108 C C . GLU B 2 7 . -7.010 -13.691 -20.457 1.00 50.15 0 B 1
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ATOM 1109 O O . GLU B 2 7 . -5.789 -13.849 -20.321 1.00 45.73 0 B 1
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ATOM 1110 C CB . GLU B 2 7 . -8.232 -11.649 -19.547 1.00 46.12 0 B 1
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ATOM 1111 C CG . GLU B 2 7 . -8.254 -10.108 -19.609 1.00 49.02 0 B 1
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ATOM 1112 C CD . GLU B 2 7 . -9.222 -9.462 -18.625 1.00 52.00 0 B 1
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ATOM 1113 O OE1 . GLU B 2 7 . -9.383 -8.222 -18.667 1.00 62.38 0 B 1
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ATOM 1114 O OE2 . GLU B 2 7 . -9.829 -10.179 -17.807 1.00 44.25 -1 B 1
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ATOM 1115 N N . LYS B 2 8 . -7.877 -14.696 -20.323 1.00 44.10 0 B 1
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ATOM 1116 C CA . LYS B 2 8 . -7.395 -16.058 -20.082 1.00 42.23 0 B 1
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ATOM 1117 C C . LYS B 2 8 . -6.454 -16.515 -21.202 1.00 40.65 0 B 1
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ATOM 1118 O O . LYS B 2 8 . -5.405 -17.103 -20.941 1.00 44.03 0 B 1
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ATOM 1119 C CB . LYS B 2 8 . -8.552 -17.055 -19.941 1.00 53.16 0 B 1
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ATOM 1120 C CG . LYS B 2 8 . -9.578 -16.722 -18.861 1.00 54.93 0 B 1
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ATOM 1121 C CD . LYS B 2 8 . -10.391 -17.975 -18.499 1.00 60.64 0 B 1
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ATOM 1122 C CE . LYS B 2 8 . -11.702 -17.635 -17.795 1.00 62.86 0 B 1
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ATOM 1123 N NZ . LYS B 2 8 . -12.746 -17.160 -18.763 1.00 61.31 1 B 1
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ATOM 1124 N N . SER B 2 9 . -6.829 -16.233 -22.446 1.00 52.11 0 B 1
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ATOM 1125 C CA . SER B 2 9 . -6.014 -16.627 -23.600 1.00 45.25 0 B 1
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ATOM 1126 C C . SER B 2 9 . -4.635 -15.962 -23.540 1.00 49.99 0 B 1
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ATOM 1127 O O . SER B 2 9 . -3.605 -16.621 -23.675 1.00 49.13 0 B 1
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ATOM 1128 C CB . SER B 2 9 . -6.720 -16.232 -24.903 1.00 47.83 0 B 1
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ATOM 1129 O OG . SER B 2 9 . -5.960 -16.617 -26.036 1.00 53.74 0 B 1
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ATOM 1130 N N . ALA B 2 10 . -4.629 -14.651 -23.321 1.00 55.73 0 B 1
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ATOM 1131 C CA . ALA B 2 10 . -3.379 -13.896 -23.238 1.00 57.69 0 B 1
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ATOM 1132 C C . ALA B 2 10 . -2.429 -14.489 -22.200 1.00 42.52 0 B 1
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ATOM 1133 O O . ALA B 2 10 . -1.219 -14.615 -22.445 1.00 55.92 0 B 1
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ATOM 1134 C CB . ALA B 2 10 . -3.666 -12.431 -22.934 1.00 54.84 0 B 1
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