Macromolecular dictionary (mmCIF) version 2.0.09

Category STRUCT_SHEET_RANGE

Name:
'struct_sheet_range'

Description:

   Data items in the STRUCT_SHEET_RANGE category record details
   about the residue ranges that form a beta-sheet. Residues are
   included in a range if they made beta-sheet-type hydrogen-bonding
   interactions with at least one adjacent strand and if there are
   at least two residues in the range.

Examples:

Example 1 - simple beta-barrel.

 
    loop_
    _struct_sheet_range.sheet_id
    _struct_sheet_range.id
    _struct_sheet_range.beg_label_comp_id
    _struct_sheet_range.beg_label_asym_id
    _struct_sheet_range.beg_label_seq_id
    _struct_sheet_range.end_label_comp_id
    _struct_sheet_range.end_label_asym_id
    _struct_sheet_range.end_label_seq_id
    _struct_sheet_range.symmetry
     sheet_1  strand_a  ala  A   20  ala  A   30  1_555
     sheet_1  strand_b  ala  A   40  ala  A   50  1_555
     sheet_1  strand_c  ala  A   60  ala  A   70  1_555
     sheet_1  strand_d  ala  A   80  ala  A   90  1_555
     sheet_1  strand_e  ala  A  100  ala  A  110  1_555
     sheet_1  strand_f  ala  A  120  ala  A  130  1_555
     sheet_1  strand_g  ala  A  140  ala  A  150  1_555
     sheet_1  strand_h  ala  A  160  ala  A  170  1_555

Example 2 - five stranded mixed-sense sheet with one two-piece strand.

 
    loop_
    _struct_sheet_range.sheet_id
    _struct_sheet_range.id
    _struct_sheet_range.beg_label_comp_id
    _struct_sheet_range.beg_label_asym_id
    _struct_sheet_range.beg_label_seq_id
    _struct_sheet_range.end_label_comp_id
    _struct_sheet_range.end_label_asym_id
    _struct_sheet_range.end_label_seq_id
    _struct_sheet_range.symmetry
     sheet_2  strand_a   ala  A  10  ala  A  18  1_555
     sheet_2  strand_b   ala  A 110  ala  A 119  1_555
     sheet_2  strand_c   ala  A  30  ala  A  41  1_555
     sheet_2  strand_d1  ala  A  50  ala  A  52  1_555
     sheet_2  strand_d2  ala  A  90  ala  A  97  1_555
     sheet_2  strand_e   ala  A  70  ala  A  80  1_555

Category groups:
    inclusive_group
    struct_group
Category keys:
    _struct_sheet_range.sheet_id
    _struct_sheet_range.id

Mandatory category: no

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Crystallographic Information Framework

Macromolecular dictionary (mmCIF) version 2.0.09

Category STRUCT_SHEET_RANGE

International Tables for Crystallography

Volume G: Definition and exchange of crystallographic data

Edited by S. R. Hall and B. McMahon

IUCrData