PDBx/mmCIF
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Data Category pdbx_nonpoly_atom_coordination_sphere

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General

Category name
pdbx_nonpoly_atom_coordination_sphere
Required in PDB entries
no
Category group membership
pdbx_group
Used in current PDB entries
No

Category Relationship Diagrams

70
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Category Description 

              Data items in the PDBX_NONPOLY_ATOM_COORDINATION_SPHERE category provide
              geometric coordination information on selected atoms

Category Examples

2

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Category Example1

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    loop_
    _pdbx_nonpoly_atom_coordination_sphere.id
    _pdbx_nonpoly_atom_coordination_sphere.geometry_id
    _pdbx_nonpoly_atom_coordination_sphere.label_asym_id
    _pdbx_nonpoly_atom_coordination_sphere.label_seq_id
    _pdbx_nonpoly_atom_coordination_sphere.label_comp_id
    _pdbx_nonpoly_atom_coordination_sphere.label_atom_id
    _pdbx_nonpoly_atom_coordination_sphere.label_alt_id
    _pdbx_nonpoly_atom_coordination_sphere.auth_asym_id
    _pdbx_nonpoly_atom_coordination_sphere.auth_seq_id
    _pdbx_nonpoly_atom_coordination_sphere.auth_comp_id 
    _pdbx_nonpoly_atom_coordination_sphere.auth_atom_id 
    _pdbx_nonpoly_atom_coordination_sphere.PDB_ins_code
    _pdbx_nonpoly_atom_coordination_sphere.descriptor
    _pdbx_nonpoly_atom_coordination_sphere.provenance
    1 1 D . VO4 V ? A 343 VO4 V ? @TBP{V,N,O,O,O,O} MetalCoord

Category Example2

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    loop_
    _pdbx_nonpoly_atom_coordination_sphere.id
    _pdbx_nonpoly_atom_coordination_sphere.geometry_id
    _pdbx_nonpoly_atom_coordination_sphere.label_asym_id
    _pdbx_nonpoly_atom_coordination_sphere.label_seq_id
    _pdbx_nonpoly_atom_coordination_sphere.label_comp_id
    _pdbx_nonpoly_atom_coordination_sphere.label_atom_id
    _pdbx_nonpoly_atom_coordination_sphere.label_alt_id
    _pdbx_nonpoly_atom_coordination_sphere.auth_asym_id
    _pdbx_nonpoly_atom_coordination_sphere.auth_seq_id
    _pdbx_nonpoly_atom_coordination_sphere.auth_comp_id 
    _pdbx_nonpoly_atom_coordination_sphere.auth_atom_id 
    _pdbx_nonpoly_atom_coordination_sphere.PDB_ins_code 
    _pdbx_nonpoly_atom_coordination_sphere.descriptor
    _pdbx_nonpoly_atom_coordination_sphere.provenance
    1 1 B . SF4 FE1 ? A 86 SF4 FE1 ? @TET{Fe,S,S,S,S} MetalCoord
    2 2 B . SF4 FE1 ? A 86 SF4 FE1 ? @TET{Fe,S,S,S,S} MetalCoord
    3 3 B . SF4 FE1 ? A 86 SF4 FE1 ? @TET{Fe,S,S,S,S} MetalCoord
    4 4 B . SF4 FE1 ? A 86 SF4 FE1 ? @TET{Fe,S,S,S,S} MetalCoord

Key Data Items

Category Data Items

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