Data Category pdbx_distant_solvent_atoms

General

Category name
pdbx_distant_solvent_atoms
Required in PDB entries
no
Category group membership
pdbx_group
Used in current PDB entries
Yes, in about 15.2 % of entries

Category Relationship Diagrams

70
View full category relationship diagram including all dictionary data categories
70
View abbreviated category relationship diagram including only those categories used in current PDB entries.

Category Description

     Data items in the PDBX_DISTANT_SOLVENT_ATOMS category list the
     solvent atoms remote from any macromolecule.

Additional Descriptive Information for Depositors

 The following solvent molecules are further than 3.5 angstroms away from macromolecule atoms in the asymmetric unit that are available for hydrogen bonding. Solvent molecules in extended hydration shells separated by 3.5 angstroms or less are not listed.

Category Example

 
loop_
_pdbx_distant_solvent_atoms.id
_pdbx_distant_solvent_atoms.PDB_model_num
_pdbx_distant_solvent_atoms.auth_comp_id
_pdbx_distant_solvent_atoms.auth_asym_id
_pdbx_distant_solvent_atoms.auth_seq_id
_pdbx_distant_solvent_atoms.PDB_ins_code
_pdbx_distant_solvent_atoms.auth_atom_id
_pdbx_distant_solvent_atoms.label_alt_id
_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance
_pdbx_distant_solvent_atoms.neighbor_ligand_distance
  1 1  HOH W 412 .   O  .  7.3  .
  2 1  HOH W 413 .   O  .  8.4  .
  3 1  HOH W 414 .   O  .  7.2  .
  4 1  HOH W 415 .   O  .  8.3  .

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