|
Example 1:
A human growth factor is a single chain of 360 residues. In the
refined model, coordinates for the first four residues in from
the N-terminus (Ala-Ser-Glu-Gly) are not included because no
model could be constructed for them due to lack of electron density.
About sixty residues in from the N-terminus, a seven-residue loop
between beta strands is partially disordered so that models for
residues 62 and 63 (Ser and Val, respectively) lack coordinates
for side chains.
Note that
_pdbx_feature_monomer.feature_name
should take the value 'missing' to indicate residues that have not
been refined at all, or 'partial' for incomplete refinements. The item
_pdbx_feature_monomer.feature may be used to
provide more detail on individual residues.
The items in gray
(_pdbx_feature_monomer.id
and
_pdbx_feature_monomer.feature_type)
are identifiers and qualifiers needed to preserve the mmCIF data structure,
and are auto-generated during the deposition procedure.
loop_
_pdbx_feature_monomer.id
_pdbx_feature_monomer.label_alt_id
_pdbx_feature_monomer.label_asym_id
_pdbx_feature_monomer.label_comp_id
_pdbx_feature_monomer.label_seq_id
_pdbx_feature_monomer.feature_name
_pdbx_feature_monomer.feature
_pdbx_feature_monomer.feature_assigned_by
_pdbx_feature_monomer.feature_citation_id
_pdbx_feature_monomer.feature_type
1 . A Ala 1 'not refined' . CNS cns value
2 . A Ser 2 'not refined' . CNS cns value
3 . A Glu 3 'not refined' . CNS cns value
4 . A Gly 4 'not refined' . CNS cns value
5 . A Ser 62 'partially refined' 'side chain missing because of partial disorder' CNS cns value
6 . A Val 63 'partially refined' 'side chain missing because of partial disorder' CNS cns value
How this example will appear in the journal
| Omitted residues
|
4 missing, 2 partially refined
|
|
Example 2:
A novel ion channel includes a membrane pore that is assembled of six
beta strands twelve residues long from six monomers of identical
sequence. To crystallize this pore, short native sequences were
required at both ends of the strands to permit assembly and increase
stability in solution. The N-terminus included four 'non-pore'
residues with sequence SAEG and the C-terminus five AKGET, making each
strand 23 residues long. Not all of the extra residues were imaged in
the final refined structure. In all, four were missing entirely and
another six lacked side chains. The following array presents the data
on missing and partial residues as outlined above. In this example,
for some reason the three-letter codes for the residues of interest
are not available, and are indicated by query marks ? for
'unknown'.
loop_
_pdbx_feature_monomer.id
_pdbx_feature_monomer.label_alt_id
_pdbx_feature_monomer.label_asym_id
_pdbx_feature_monomer.label_comp_id
_pdbx_feature_monomer.label_seq_id
_pdbx_feature_monomer.feature_name
_pdbx_feature_monomer.feature
_pdbx_feature_monomer.feature_assigned_by
_pdbx_feature_monomer.feature_citation_id
_pdbx_feature_monomer.feature_type
1 . 1 ? 1 'not refined. . CNS cns value
2 . 3 ? 1 'not refined. . CNS cns value
3 . 5 ? 23 'not refined. . CNS cns value
4 . 5 ? 22 'not refined. . CNS cns value
5 . 2 ? 1 'partially refined' . CNS cns value
6 . 4 ? 1 'partially refined' . CNS cns value
7 . 4 ? 23 'partially refined' . CNS cns value
8 . 5 ? 1 'partially refined' . CNS cns value
9 . 6 ? 1 'partially refined' . CNS cns value
10 . 6 ? 23 'partially refined' . CNS cns value
How this example will appear in the journal
| Omitted residues
|
4 missing, 6 partially refined
|
|
|
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