1h4x

From PDBWiki

Authors	Seavers, P.R. Lewis, R.J. Brannigan, J.A. Verschueren, K.H. Murshudov, G.N. Wilkinson, A.J.
Citation	Structure of the Bacillus cell fate determinant SpoIIAA in phosphorylated and unphosphorylated forms. PubMed
Release date	2003-04-01
Exp. Method	X-RAY DIFFRACTION
Resolution	1.16 Å
Classification	CELL DIFFERENTIATION

Sequence

Chain A (117 residues): Blast Uniprot

MAFQLEMVTRETVVIRLFGELDHHAVEQIRAKISTAIFQGAVTTIIWNFERLSFMDXSGVGLVLGRMRELEAVAGRTILL
NPSPTMRKVFQFSGLGPWMMDATEEEAIDRVRGIVNG

Chain B (117 residues): Blast Uniprot

MAFQLEMVTRETVVIRLFGELDHHAVEQIRAKISTAIFQGAVTTIIWNFERLSFMDXSGVGLVLGRMRELEAVAGRTILL
NPSPTMRKVFQFSGLGPWMMDATEEEAIDRVRGIVNG

User comments

Source: [1]

Residues: 10, 11, 50, 51, 71, 110 have one/more atoms with occupancy "0.00"

ATOM     67  N   ARG A  10      30.725  21.602  44.499  1.00 12.28         N
ATOM     68  CA  ARG A  10      29.982  20.892  45.549  1.00 12.05         C
ATOM     69  C   ARG A  10      28.488  20.711  45.216  1.00 11.58         C
ATOM     70  O   ARG A  10      27.733  21.666  45.091  1.00 11.97         O
ATOM     71  CB  ARG A  10      30.133  21.679  46.852  1.00 15.28         C
ATOM     72  CG  ARG A  10      29.331  21.064  47.998  1.00 16.26         C
ATOM     73  CD  ARG A  10      29.750  21.629  49.360  0.00 32.47         C
ATOM     74  NE  ARG A  10      29.168  20.838  50.448  0.00 39.39         N
ATOM     75  CZ  ARG A  10      29.250  21.346  51.692  0.00 41.65         C
ATOM     76  NH1 ARG A  10      29.834  22.515  51.894  0.00 43.81         N
ATOM     77  NH2 ARG A  10      28.732  20.667  52.719  0.00 43.00         N

There are 2 possibilities here:

• this is simply a format error
• they should be unobserved. If this is the case then this practice is not ideal because most molecular viewers would display these atoms without noticing the ocuppancy field.

Querying the whole PDB it seems that this is not totally unusual: around 4 million atom records (i.e. ~1% of total) have 0 occupancy.

See also 1gk9.

• add comment

Links