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Calcium in PDB 7mxw: Crystal Structure of Human Exonuclease 1 EXO1 (Wt) in Complex with 5' Flap Dna (UF1)

Protein crystallography data

The structure of Crystal Structure of Human Exonuclease 1 EXO1 (Wt) in Complex with 5' Flap Dna (UF1), PDB code: 7mxw was solved by Y.Shi, L.S.Beese, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.30 / 2.84
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 71.955, 71.955, 179.874, 90, 90, 90
R / Rfree (%) 21.9 / 26.5

Other elements in 7mxw:

The structure of Crystal Structure of Human Exonuclease 1 EXO1 (Wt) in Complex with 5' Flap Dna (UF1) also contains other interesting chemical elements:

Magnesium (Mg) 3 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of Human Exonuclease 1 EXO1 (Wt) in Complex with 5' Flap Dna (UF1) (pdb code 7mxw). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Human Exonuclease 1 EXO1 (Wt) in Complex with 5' Flap Dna (UF1), PDB code: 7mxw:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 7mxw

Go back to Calcium Binding Sites List in 7mxw
Calcium binding site 1 out of 2 in the Crystal Structure of Human Exonuclease 1 EXO1 (Wt) in Complex with 5' Flap Dna (UF1)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Human Exonuclease 1 EXO1 (Wt) in Complex with 5' Flap Dna (UF1) within 5.0Å range:
probe atom residue distance (Å) B Occ
Z:Ca404

b:72.5
occ:1.00
SG Z:CYS80 2.7 75.1 1.0
CB Z:CYS80 3.7 74.8 1.0
CD1 Z:ILE325 3.8 79.4 1.0
CG1 Z:VAL317 4.2 82.3 1.0
CZ Z:PHE335 4.3 85.2 1.0
CE1 Z:PHE335 4.4 84.8 1.0
O Z:PRO148 4.4 65.6 1.0
OH Z:TYR149 4.4 75.6 1.0
CZ Z:TYR149 4.6 74.4 1.0
CE1 Z:TYR149 4.8 72.0 1.0
CG2 Z:VAL317 4.9 78.8 1.0

Calcium binding site 2 out of 2 in 7mxw

Go back to Calcium Binding Sites List in 7mxw
Calcium binding site 2 out of 2 in the Crystal Structure of Human Exonuclease 1 EXO1 (Wt) in Complex with 5' Flap Dna (UF1)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Human Exonuclease 1 EXO1 (Wt) in Complex with 5' Flap Dna (UF1) within 5.0Å range:
probe atom residue distance (Å) B Occ
Z:Ca405

b:93.0
occ:1.00
N Z:HIS18 4.1 86.2 1.0
CB Z:LYS21 4.2 80.1 1.0
NH1 Z:ARG20 4.5 92.8 1.0
O Z:HIS18 4.5 87.2 1.0
CA Z:ILE17 4.6 78.2 1.0
CB Z:ILE17 4.7 78.1 1.0
C Z:ILE17 4.8 77.5 1.0
CB Z:HIS18 4.8 87.7 1.0
CG Z:LYS21 4.9 80.9 1.0
CA Z:LYS21 4.9 81.8 1.0
CD Z:LYS21 4.9 79.2 1.0
CA Z:HIS18 4.9 85.7 1.0

Reference:

Y.Shi, H.W.Hellinga, L.S.Beese. Structures of Reaction Intermediates Reveal Transient MG2+-Binding Events That Dynamically Coordinate Human Exonuclease I Activities To Be Published.
Page generated: Fri Jul 19 02:09:29 2024

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