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Magnesium in PDB 1u0c: Y33C Mutant of Homing Endonuclease I-Crei

Protein crystallography data

The structure of Y33C Mutant of Homing Endonuclease I-Crei, PDB code: 1u0c was solved by D.Sussman, M.Chadsey, S.Fauce, A.Engel, A.Bruett, R.Monnat, B.L.Stoddard, L.M.Seligman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.50
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 43.089, 68.021, 87.182, 90.00, 92.00, 90.00
R / Rfree (%) 21.4 / 27.7

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Y33C Mutant of Homing Endonuclease I-Crei (pdb code 1u0c). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Y33C Mutant of Homing Endonuclease I-Crei, PDB code: 1u0c:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in 1u0c

Go back to Magnesium Binding Sites List in 1u0c
Magnesium binding site 1 out of 3 in the Y33C Mutant of Homing Endonuclease I-Crei


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Y33C Mutant of Homing Endonuclease I-Crei within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg603

b:22.2
occ:1.00
OD1 B:ASP320 2.1 20.1 1.0
OP2 C:DG515 2.3 14.2 0.5
OP2 D:DG565 2.4 26.6 0.5
OD2 A:ASP20 2.5 24.0 1.0
O3' D:DC564 2.9 25.9 0.5
O3' C:DA514 2.9 12.4 0.5
P C:DG515 3.2 15.0 0.5
P D:DG565 3.2 26.1 0.5
CG B:ASP320 3.3 17.2 1.0
MG B:MG601 3.4 4.5 1.0
O A:GLY19 3.5 16.8 1.0
O B:GLY319 3.6 18.9 1.0
MG A:MG602 3.6 9.1 1.0
CG A:ASP20 3.7 23.0 1.0
C3' C:DA514 3.9 11.2 0.5
C3' D:DC564 3.9 25.5 0.5
C A:GLY19 4.0 20.5 1.0
O5' C:DG515 4.0 15.3 0.5
OD2 B:ASP320 4.1 15.9 1.0
CA B:ASP320 4.2 19.1 1.0
C B:GLY319 4.2 21.0 1.0
OP1 D:DG565 4.2 26.4 0.5
C4' D:DC564 4.3 25.2 0.5
CA A:ASP20 4.3 21.5 1.0
CB B:ASP320 4.3 18.9 1.0
O5' D:DG565 4.4 28.2 0.5
N A:ASP20 4.4 20.1 1.0
OP1 D:DC564 4.4 21.3 0.5
C4' C:DA514 4.4 13.1 0.5
OP1 C:DG515 4.4 15.4 0.5
N B:ASP320 4.5 19.5 1.0
OD1 A:ASP20 4.5 23.4 1.0
CB A:ASP20 4.6 22.1 1.0
O C:HOH36 4.9 20.4 1.0
CA A:GLY19 4.9 18.4 1.0
O C:HOH10 4.9 32.5 1.0
O D:HOH6 5.0 18.1 1.0

Magnesium binding site 2 out of 3 in 1u0c

Go back to Magnesium Binding Sites List in 1u0c
Magnesium binding site 2 out of 3 in the Y33C Mutant of Homing Endonuclease I-Crei


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Y33C Mutant of Homing Endonuclease I-Crei within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg602

b:9.1
occ:1.00
OP1 C:DA514 2.3 10.8 0.5
O B:GLY319 2.3 18.9 1.0
O A:HOH619 2.4 17.3 1.0
O D:HOH7 2.4 22.2 1.0
OP2 D:DG565 2.4 26.6 0.5
OD1 A:ASP20 2.5 23.4 1.0
OD2 A:ASP20 2.6 24.0 1.0
CG A:ASP20 2.9 23.0 1.0
C B:GLY319 3.5 21.0 1.0
P C:DA514 3.6 11.4 0.5
MG C:MG603 3.6 22.2 1.0
P D:DG565 3.7 26.1 0.5
O3' C:DG513 3.8 10.6 0.5
CA B:GLY319 4.1 20.0 1.0
OP1 D:DG565 4.2 26.4 0.5
OE2 A:GLU47 4.2 21.6 1.0
OE1 A:GLU47 4.3 18.6 1.0
C5' C:DA514 4.4 11.5 0.5
O B:ASP318 4.4 18.8 1.0
C4' C:DA514 4.4 13.1 0.5
CB A:ASP20 4.4 22.1 1.0
O5' C:DA514 4.5 9.9 0.5
N B:ASP320 4.6 19.5 1.0
C5' D:DG565 4.6 26.3 0.5
O5' D:DG565 4.6 28.2 0.5
O B:HOH76 4.7 33.4 1.0
CD A:GLU47 4.7 20.8 1.0
OP2 C:DA514 4.7 6.8 0.5
OD1 B:ASP320 4.7 20.1 1.0
CA B:ASP320 4.8 19.1 1.0
O3' D:DC564 4.9 25.9 0.5
O3' C:DA514 5.0 12.4 0.5

Magnesium binding site 3 out of 3 in 1u0c

Go back to Magnesium Binding Sites List in 1u0c
Magnesium binding site 3 out of 3 in the Y33C Mutant of Homing Endonuclease I-Crei


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Y33C Mutant of Homing Endonuclease I-Crei within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg601

b:4.5
occ:1.00
OP1 D:DC564 2.2 21.3 0.5
O A:GLY19 2.3 16.8 1.0
OP2 C:DG515 2.3 14.2 0.5
O C:HOH10 2.4 32.5 1.0
OD2 B:ASP320 2.5 15.9 1.0
O A:HOH606 2.5 30.9 1.0
OD1 B:ASP320 2.7 20.1 1.0
CG B:ASP320 2.9 17.2 1.0
C A:GLY19 3.3 20.5 1.0
MG C:MG603 3.4 22.2 1.0
P D:DC564 3.6 22.4 0.5
P C:DG515 3.7 15.0 0.5
OE1 B:GLU347 3.7 25.6 1.0
CA A:GLY19 3.7 18.4 1.0
O3' D:DA563 4.1 22.3 0.5
O A:ASP18 4.2 22.4 1.0
O5' C:DG515 4.3 15.3 0.5
C5' C:DG515 4.4 15.1 0.5
CB B:ASP320 4.4 18.9 1.0
N A:ASP20 4.4 20.1 1.0
OP2 D:DC564 4.4 20.1 0.5
OP1 C:DG515 4.5 15.4 0.5
C4' D:DC564 4.6 25.2 0.5
CD B:GLU347 4.6 25.7 1.0
O5' D:DC564 4.7 22.8 0.5
C5' D:DC564 4.7 23.8 0.5
OE2 B:GLU347 4.7 24.1 1.0
O3' C:DA514 4.8 12.4 0.5
N A:GLY19 4.8 18.2 1.0
OD2 A:ASP20 4.8 24.0 1.0
CA A:ASP20 4.9 21.5 1.0
C A:ASP18 4.9 20.8 1.0
O3' D:DC564 5.0 25.9 0.5

Reference:

D.Sussman, M.Chadsey, S.Fauce, A.Engel, A.Bruett, R.Monnat, B.L.Stoddard, L.M.Seligman. Isolation and Characterization of New Homing Endonuclease Specificities at Individual Target Site Positions. J.Mol.Biol. V. 342 31 2004.
ISSN: ISSN 0022-2836
PubMed: 15313605
DOI: 10.1016/J.JMB.2004.07.031
Page generated: Mon Dec 14 06:52:13 2020

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