Crystallographic Information Framework

[CIF logo]

Index

Macromolecular dictionary (mmCIF) version 2.0.09

Category STRUCT_CONN

Name:
'struct_conn'

Description:

   Data items in the STRUCT_CONN category record details about
   the connections between portions of the structure. These can be
   hydrogen bonds, salt bridges, disulfide bridges and so on.

   The STRUCT_CONN_TYPE records define the criteria used to
   identify these connections.

Example:

Example 1 - based on PDB entry 5HVP and laboratory records for the structure corresponding to PDB entry 5HVP. 
 
    loop_
    _struct_conn.id
    _struct_conn.conn_type_id
    _struct_conn.ptnr1_label_comp_id
    _struct_conn.ptnr1_label_asym_id
    _struct_conn.ptnr1_label_seq_id
    _struct_conn.ptnr1_label_atom_id
    _struct_conn.ptnr1_role
    _struct_conn.ptnr1_symmetry
    _struct_conn.ptnr2_label_comp_id
    _struct_conn.ptnr2_label_asym_id
    _struct_conn.ptnr2_label_seq_id
    _struct_conn.ptnr2_label_atom_id
    _struct_conn.ptnr2_role
    _struct_conn.ptnr2_symmetry
    _struct_conn.details
      C1  saltbr  ARG  A  87 NZ1 positive 1_555 GLU  A  92  OE1
          negative 1_555  .
      C2  hydrog  ARG  B 287 N   donor    1_555 GLY  B 292  O
          acceptor 1_555  .
    # - - - - data truncated for brevity - - - -


Category groups:
    inclusive_group
    struct_group
Category key:
    _struct_conn.id

Mandatory category: no


International Tables for Crystallography

Volume G: Definition and exchange of crystallographic data

First online edition (2006)

Edited by S. R. Hall and B. McMahon

An essential guide and reference to CIF for programmers, data managers handling crystal-structure information and practising crystallographers.