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Calcium in PDB 4fe1: Improving the Accuracy of Macromolecular Structure Refinement at 7 A Resolution

Enzymatic activity of Improving the Accuracy of Macromolecular Structure Refinement at 7 A Resolution

All present enzymatic activity of Improving the Accuracy of Macromolecular Structure Refinement at 7 A Resolution:
1.97.1.12;

Protein crystallography data

The structure of Improving the Accuracy of Macromolecular Structure Refinement at 7 A Resolution, PDB code: 4fe1 was solved by R.Fromme, P.D.Adams, P.Fromme, M.Levitt, G.F.Schroeder, A.T.Brunger, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 97.97 / 4.92
Space group P 63
Cell size a, b, c (Å), α, β, γ (°) 281.000, 281.000, 165.200, 90.00, 90.00, 120.00
R / Rfree (%) 27.4 / 31.5

Other elements in 4fe1:

The structure of Improving the Accuracy of Macromolecular Structure Refinement at 7 A Resolution also contains other interesting chemical elements:

Magnesium (Mg) 96 atoms
Iron (Fe) 12 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Improving the Accuracy of Macromolecular Structure Refinement at 7 A Resolution (pdb code 4fe1). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Improving the Accuracy of Macromolecular Structure Refinement at 7 A Resolution, PDB code: 4fe1:

Calcium binding site 1 out of 1 in 4fe1

Go back to Calcium Binding Sites List in 4fe1
Calcium binding site 1 out of 1 in the Improving the Accuracy of Macromolecular Structure Refinement at 7 A Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Improving the Accuracy of Macromolecular Structure Refinement at 7 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Ca1001

b:22.2
occ:1.00
 OD1 L:ASP70 2.2 43.2 1.0
O L:PRO67 2.3 74.8 1.0
CG L:ASP70 2.9 87.0 1.0
OD2 L:ASP70 2.9 81.8 1.0
C L:PRO67 3.4 73.8 1.0
CA L:PRO67 4.0 61.6 1.0
OD1 A:ASP473 4.3 41.8 1.0
CB L:ASP70 4.3 97.3 1.0
OD2 A:ASP473 4.5 41.6 1.0
N L:LEU68 4.5 75.2 1.0
CB L:PRO67 4.6 57.9 1.0
O L:ASP70 4.7 0.8 1.0
NE2 A:GLN472 4.8 71.8 1.0
N L:ASP70 4.8 0.5 1.0
CA L:LEU68 4.8 83.9 1.0
CG A:ASP473 4.8 41.7 1.0
C L:ASP70 4.9 0.2 1.0
CA L:ASP70 4.9 0.2 1.0

Reference:

A.T.Brunger, P.D.Adams, P.Fromme, R.Fromme, M.Levitt, G.F.Schroder. Improving the Accuracy of Macromolecular Structure Refinement at 7 A Resolution. Structure V. 20 957 2012.
ISSN: ISSN 0969-2126
PubMed: 22681901
DOI: 10.1016/J.STR.2012.04.020
Page generated: Tue Jul 8 19:59:46 2025

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