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Magnesium in PDB 8e9a: Crystal Structure of Asfvpolx in Complex with 10-23 Dnazyme and Mg

Enzymatic activity of Crystal Structure of Asfvpolx in Complex with 10-23 Dnazyme and Mg

All present enzymatic activity of Crystal Structure of Asfvpolx in Complex with 10-23 Dnazyme and Mg:
2.7.7.7;

Protein crystallography data

The structure of Crystal Structure of Asfvpolx in Complex with 10-23 Dnazyme and Mg, PDB code: 8e9a was solved by E.R.Cramer, A.R.Robart, A.I.Kaya, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 69.92 / 2.69
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 114.829, 48.419, 139.845, 90, 90, 90
R / Rfree (%) 25.5 / 28.9

Other elements in 8e9a:

The structure of Crystal Structure of Asfvpolx in Complex with 10-23 Dnazyme and Mg also contains other interesting chemical elements:

Sodium (Na) 12 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Asfvpolx in Complex with 10-23 Dnazyme and Mg (pdb code 8e9a). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 6 binding sites of Magnesium where determined in the Crystal Structure of Asfvpolx in Complex with 10-23 Dnazyme and Mg, PDB code: 8e9a:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6;

Magnesium binding site 1 out of 6 in 8e9a

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Magnesium binding site 1 out of 6 in the Crystal Structure of Asfvpolx in Complex with 10-23 Dnazyme and Mg


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Asfvpolx in Complex with 10-23 Dnazyme and Mg within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg201

b:70.9
occ:1.00
OP1 C:DC52 1.9 80.4 1.0
OD2 A:ASP51 2.0 81.8 1.0
OD1 A:ASP49 2.1 82.8 1.0
OD1 A:ASP51 2.2 69.2 1.0
OD2 A:ASP49 2.2 71.7 1.0
O C:HOH202 2.3 68.2 1.0
CG A:ASP49 2.4 73.3 1.0
CG A:ASP51 2.4 71.0 1.0
P C:DC52 3.4 87.5 1.0
O A:HOH301 3.4 71.2 1.0
H5'' C:DC52 3.7 106.1 1.0
H A:SER39 3.8 84.4 1.0
OD2 A:ASP100 3.8 63.8 1.0
CB A:ASP49 3.8 58.5 1.0
CB A:ASP51 3.9 57.4 1.0
HG A:SER39 4.0 106.0 1.0
OG A:SER39 4.0 88.2 1.0
O5' C:DC52 4.1 87.4 1.0
HB2 A:ASP49 4.1 70.3 1.0
O3' C:DG51 4.1 70.1 1.0
HA3 A:GLY38 4.1 84.4 1.0
O A:ASP49 4.1 71.0 1.0
C5' C:DC52 4.3 88.4 1.0
HB3 A:ASP51 4.3 69.0 1.0
C A:ASP49 4.3 61.2 1.0
HB2 A:ASP51 4.3 69.0 1.0
H5' C:DC52 4.4 106.1 1.0
HB3 A:ASP49 4.4 70.3 1.0
OP2 C:DC52 4.4 53.4 1.0
H A:ASP49 4.4 81.4 1.0
CA A:ASP49 4.5 48.6 1.0
H A:ASP51 4.5 74.1 1.0
N A:ASP51 4.6 61.6 1.0
N A:SER39 4.6 70.3 1.0
N A:ASP49 4.7 67.8 1.0
CA A:ASP51 4.8 60.8 1.0
N A:VAL50 4.8 65.2 1.0
C A:VAL50 4.9 65.6 1.0
HB3 A:SER39 5.0 71.2 1.0
HA A:VAL50 5.0 80.7 1.0
HA A:ASP51 5.0 73.0 1.0
CA A:GLY38 5.0 70.2 1.0

Magnesium binding site 2 out of 6 in 8e9a

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Magnesium binding site 2 out of 6 in the Crystal Structure of Asfvpolx in Complex with 10-23 Dnazyme and Mg


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Asfvpolx in Complex with 10-23 Dnazyme and Mg within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg201

b:76.1
occ:1.00
OP1 C:DA40 1.9 63.3 1.0
OE1 B:GLU91 2.1 83.4 1.0
CD B:GLU91 2.8 79.9 1.0
P C:DA40 3.0 80.1 1.0
OE2 B:GLU91 3.3 80.1 1.0
OP2 C:DA40 3.4 70.1 1.0
HB3 B:GLU91 3.5 94.2 1.0
CG B:GLU91 3.8 83.7 1.0
HG3 B:GLU91 3.8 100.5 1.0
O5' C:DA40 3.8 78.8 1.0
CB B:GLU91 4.2 78.4 1.0
OG1 B:THR96 4.2 69.5 1.0
H5'' C:DA40 4.2 93.0 1.0
HG1 B:THR96 4.3 83.5 1.0
O3' C:DC39 4.3 65.7 1.0
O B:LYS94 4.4 87.5 1.0
C5' C:DA40 4.6 77.5 1.0
HG2 B:GLU91 4.6 100.5 1.0
HB2 B:GLU91 4.8 94.2 1.0
HA B:GLU91 4.9 85.6 1.0

Magnesium binding site 3 out of 6 in 8e9a

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Magnesium binding site 3 out of 6 in the Crystal Structure of Asfvpolx in Complex with 10-23 Dnazyme and Mg


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Asfvpolx in Complex with 10-23 Dnazyme and Mg within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg101

b:96.6
occ:1.00
OP2 C:DC10 2.2 118.2 1.0
HM'2 C:A2M9 2.4 157.5 1.0
H3' C:A2M9 2.4 159.6 1.0
O2' C:A2M9 2.6 147.5 1.0
CM' C:A2M9 2.9 131.1 1.0
C3' C:A2M9 3.0 132.9 1.0
C2' C:A2M9 3.0 131.9 1.0
H2' C:A2M9 3.2 158.3 1.0
HM'3 C:A2M9 3.3 157.5 1.0
P C:DC10 3.3 149.7 1.0
O3' C:A2M9 3.6 140.9 1.0
HM'1 C:A2M9 3.7 157.5 1.0
OP1 C:A2M9 3.8 100.5 1.0
O5' C:DC10 3.8 142.8 1.0
H5'' C:A2M9 4.1 128.5 1.0
C4' C:A2M9 4.3 113.4 1.0
HO3' C:A2M9 4.4 169.2 1.0
C1' C:A2M9 4.5 115.7 1.0
H6 C:DC10 4.6 167.1 1.0
C5' C:A2M9 4.6 107.0 1.0
OP1 C:DC10 4.7 153.2 1.0
P C:A2M9 4.7 121.1 1.0
H1' C:A2M9 4.7 138.9 1.0
OP2 C:A2M9 4.9 72.2 1.0
O5' C:A2M9 4.9 113.7 1.0
H4' C:A2M9 4.9 136.2 1.0
H3' C:DC10 5.0 173.6 1.0

Magnesium binding site 4 out of 6 in 8e9a

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Magnesium binding site 4 out of 6 in the Crystal Structure of Asfvpolx in Complex with 10-23 Dnazyme and Mg


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of Asfvpolx in Complex with 10-23 Dnazyme and Mg within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg101

b:103.9
occ:1.00
H1' D:A2M9 2.3 125.5 1.0
O D:HOH203 2.4 121.5 1.0
H5' D:DC10 2.5 132.5 1.0
HO3' D:A2M9 2.5 136.5 1.0
O3' D:A2M9 2.6 113.7 1.0
O4' D:A2M9 2.8 100.9 1.0
C1' D:A2M9 2.9 104.5 1.0
C5' D:DC10 3.3 110.4 1.0
P D:DC10 3.3 138.9 1.0
O5' D:DC10 3.4 108.3 1.0
C3' D:A2M9 3.5 105.1 1.0
OP1 D:DC10 3.5 116.0 1.0
C4' D:A2M9 3.6 108.8 1.0
H4' D:A2M9 3.6 130.6 1.0
C2' D:A2M9 3.8 105.0 1.0
H5'' D:DC10 3.9 132.5 1.0
N3 D:A2M9 3.9 105.4 1.0
N9 D:A2M9 4.0 99.5 1.0
O4' D:DC10 4.1 112.5 1.0
C4' D:DC10 4.3 110.3 1.0
O2' D:A2M9 4.3 107.3 1.0
C4 D:A2M9 4.3 99.3 1.0
H3' D:A2M9 4.4 126.2 1.0
H6 D:DC10 4.5 115.4 1.0
MG D:MG103 4.5 111.3 1.0
H2' D:A2M9 4.6 126.1 1.0
OP2 D:DC10 4.6 107.4 1.0
H4' D:DC10 4.7 132.5 1.0

Magnesium binding site 5 out of 6 in 8e9a

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Magnesium binding site 5 out of 6 in the Crystal Structure of Asfvpolx in Complex with 10-23 Dnazyme and Mg


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Crystal Structure of Asfvpolx in Complex with 10-23 Dnazyme and Mg within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg102

b:92.2
occ:1.00
O D:HOH208 2.2 67.2 1.0
O D:HOH201 2.2 60.2 1.0
HM'1 D:A2M9 2.8 118.2 1.0
OP2 D:DC10 3.0 107.4 1.0
H3' D:A2M9 3.0 126.2 1.0
HM'2 D:A2M9 3.1 118.2 1.0
CM' D:A2M9 3.4 98.5 1.0
OP1 D:A2M9 3.9 87.0 1.0
C3' D:A2M9 3.9 105.1 1.0
O2' D:A2M9 4.0 107.3 1.0
O5' D:A2M9 4.0 106.8 1.0
HM'3 D:A2M9 4.1 118.2 1.0
H2' D:A2M9 4.4 126.1 1.0
P D:DC10 4.4 138.9 1.0
C2' D:A2M9 4.4 105.0 1.0
O3' D:A2M9 4.5 113.7 1.0
P D:A2M9 4.6 88.9 1.0

Magnesium binding site 6 out of 6 in 8e9a

Go back to Magnesium Binding Sites List in 8e9a
Magnesium binding site 6 out of 6 in the Crystal Structure of Asfvpolx in Complex with 10-23 Dnazyme and Mg


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Crystal Structure of Asfvpolx in Complex with 10-23 Dnazyme and Mg within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg103

b:111.3
occ:1.00
H3' D:DC10 1.6 140.9 1.0
O5' D:DC10 1.8 108.3 1.0
H6 D:DC10 2.0 115.4 1.0
C3' D:DC10 2.1 117.4 1.0
O4' D:DC10 2.2 112.5 1.0
C4' D:DC10 2.2 110.3 1.0
C5' D:DC10 2.4 110.4 1.0
O2' D:A2M9 2.4 107.3 1.0
H2' D:DC10 2.5 146.1 1.0
C2' D:DC10 2.5 121.7 1.0
C1' D:DC10 2.6 113.0 1.0
C6 D:DC10 2.7 96.1 1.0
H5' D:DC10 3.0 132.5 1.0
N1 D:DC10 3.0 104.0 1.0
HM'2 D:A2M9 3.1 118.2 1.0
H5'' D:DC10 3.1 132.5 1.0
H4' D:DC10 3.2 132.5 1.0
CM' D:A2M9 3.3 98.5 1.0
P D:DC10 3.3 138.9 1.0
H1' D:A2M9 3.4 125.5 1.0
O3' D:DC10 3.5 123.9 1.0
H2'' D:DC10 3.5 146.1 1.0
HM'3 D:A2M9 3.5 118.2 1.0
H1' D:DC10 3.6 135.7 1.0
C2' D:A2M9 3.6 105.0 1.0
OP2 D:DC10 3.7 107.4 1.0
C5 D:DC10 3.8 84.9 1.0
C1' D:A2M9 4.0 104.5 1.0
O3' D:A2M9 4.0 113.7 1.0
H5 D:DC10 4.1 102.0 1.0
HM'1 D:A2M9 4.1 118.2 1.0
OP2 D:DA11 4.1 129.4 1.0
C3' D:A2M9 4.2 105.1 1.0
H2' D:A2M9 4.3 126.1 1.0
OP1 D:DC10 4.3 116.0 1.0
C2 D:DC10 4.4 106.4 1.0
MG D:MG101 4.5 103.9 1.0
P D:DA11 4.5 144.3 1.0
N3 D:A2M9 4.5 105.4 1.0
H3' D:A2M9 4.6 126.2 1.0
H8 D:DA11 4.7 146.9 1.0
N9 D:A2M9 4.7 99.5 1.0
HO3' D:A2M9 4.8 136.5 1.0
C4 D:A2M9 4.9 99.3 1.0
C4 D:DC10 5.0 99.7 1.0

Reference:

E.R.Cramer, S.A.Starcovic, R.M.Avey, A.I.Kaya, A.R.Robart. Structure of A 10-23 Deoxyribozyme Exhibiting A Homodimer Conformation. Commun Chem V. 6 119 2023.
ISSN: ESSN 2399-3669
PubMed: 37301907
DOI: 10.1038/S42004-023-00924-3
Page generated: Fri Oct 4 01:06:31 2024

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