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Magnesium in PDB 8hcc: Crystal Structure of MTREX1-Rna Product Complex (Amp)

Enzymatic activity of Crystal Structure of MTREX1-Rna Product Complex (Amp)

All present enzymatic activity of Crystal Structure of MTREX1-Rna Product Complex (Amp):
3.1.11.2;

Protein crystallography data

The structure of Crystal Structure of MTREX1-Rna Product Complex (Amp), PDB code: 8hcc was solved by Y.Y.Hsiao, K.W.Huang, C.Y.Wu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 27.16 / 2.00
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 71.197, 86.433, 75.218, 90, 97.6, 90
R / Rfree (%) 16.7 / 21

Other elements in 8hcc:

The structure of Crystal Structure of MTREX1-Rna Product Complex (Amp) also contains other interesting chemical elements:

Sodium (Na) 5 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of MTREX1-Rna Product Complex (Amp) (pdb code 8hcc). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 8 binding sites of Magnesium where determined in the Crystal Structure of MTREX1-Rna Product Complex (Amp), PDB code: 8hcc:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Magnesium binding site 1 out of 8 in 8hcc

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Magnesium binding site 1 out of 8 in the Crystal Structure of MTREX1-Rna Product Complex (Amp)


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 MTREX1-Rna Product Complex (Amp) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg302

b:19.9
occ:1.00
OE1 A:GLU20 2.1 19.7 1.0
OD2 A:ASP18 2.1 20.6 1.0
O3P A:AMP301 2.2 19.3 1.0
OD2 A:ASP200 2.2 17.5 1.0
O2P A:AMP301 2.9 25.0 1.0
HB2 A:ASP200 3.0 20.9 1.0
CG A:ASP18 3.0 22.1 1.0
CD A:GLU20 3.1 19.8 1.0
P A:AMP301 3.1 24.5 1.0
HA A:HIS195 3.1 28.4 1.0
CG A:ASP200 3.1 19.2 1.0
OD1 A:ASP18 3.3 20.3 1.0
CB A:ASP200 3.4 17.4 1.0
OE2 A:GLU20 3.4 19.9 1.0
MG A:MG303 3.5 23.0 1.0
HB3 A:ASP200 3.5 20.9 1.0
O A:HOH535 3.7 21.2 1.0
HA A:ALA197 3.8 20.9 1.0
O A:LEU19 3.8 17.7 1.0
O1P A:AMP301 4.0 23.0 1.0
O A:THR196 4.0 20.2 1.0
CA A:HIS195 4.0 23.7 1.0
H5'2 A:AMP301 4.1 27.7 1.0
H A:HIS195 4.2 28.5 1.0
C A:HIS195 4.3 25.5 1.0
HG2 A:GLU20 4.3 24.3 1.0
C A:THR196 4.3 18.9 1.0
OD1 A:ASP200 4.3 18.7 1.0
HD1 A:HIS195 4.3 28.9 1.0
CG A:GLU20 4.3 20.2 1.0
O A:HOH492 4.4 17.1 1.0
CB A:ASP18 4.4 21.2 1.0
O5' A:AMP301 4.4 24.1 1.0
N A:THR196 4.4 21.2 1.0
O A:HOH424 4.5 21.9 1.0
HB3 A:ASP18 4.5 25.4 1.0
N A:HIS195 4.6 23.8 1.0
C A:LEU19 4.6 17.7 1.0
H A:THR196 4.6 25.4 1.0
CA A:ALA197 4.7 17.4 1.0
N A:ALA197 4.7 16.2 1.0
HA A:GLU20 4.7 22.9 1.0
H A:LEU19 4.7 22.9 1.0
C5' A:AMP301 4.7 23.1 1.0
H A:ASP200 4.8 19.2 1.0
O A:HOH490 4.8 23.9 1.0
HB2 A:ASP18 4.8 25.4 1.0
O A:HIS195 4.9 27.3 1.0
HG3 A:GLU20 4.9 24.3 1.0
CA A:ASP200 4.9 16.5 1.0
CA A:THR196 4.9 19.6 1.0
ND1 A:HIS195 5.0 24.1 1.0

Magnesium binding site 2 out of 8 in 8hcc

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Magnesium binding site 2 out of 8 in the Crystal Structure of MTREX1-Rna Product Complex (Amp)


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 MTREX1-Rna Product Complex (Amp) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg303

b:23.0
occ:1.00
O A:HOH492 2.0 17.1 1.0
OD1 A:ASP18 2.0 20.3 1.0
O3P A:AMP301 2.1 19.3 1.0
O A:HOH490 2.1 23.9 1.0
O A:HOH433 2.2 21.8 1.0
O A:HOH535 2.2 21.2 1.0
CG A:ASP18 3.1 22.1 1.0
P A:AMP301 3.4 24.5 1.0
MG A:MG302 3.5 19.9 1.0
OD2 A:ASP18 3.6 20.6 1.0
O1P A:AMP301 3.8 23.0 1.0
H A:LEU19 3.8 22.9 1.0
H5'2 A:AMP301 3.9 27.7 1.0
OD2 A:ASP130 3.9 28.1 1.0
O A:LEU19 3.9 17.7 1.0
O5' A:AMP301 4.0 24.1 1.0
H5'1 A:AMP301 4.0 27.7 1.0
O A:HOH441 4.0 16.6 1.0
O A:HOH424 4.1 21.9 1.0
OD1 A:ASP130 4.1 30.9 1.0
O A:HIS124 4.1 23.3 1.0
C5' A:AMP301 4.2 23.1 1.0
HA A:ASP18 4.2 24.7 1.0
O A:HOH546 4.2 37.8 1.0
O A:HOH531 4.3 21.6 1.0
CB A:ASP18 4.4 21.2 1.0
CG A:ASP130 4.4 27.9 1.0
HB3 A:HIS124 4.5 22.6 1.0
N A:LEU19 4.5 19.0 1.0
HB2 A:ASP18 4.5 25.4 1.0
O2P A:AMP301 4.5 25.0 1.0
HB3 A:ASP200 4.6 20.9 1.0
CA A:ASP18 4.8 20.6 1.0
O A:HOH560 4.8 44.0 1.0
OD2 A:ASP200 4.8 17.5 1.0
C A:LEU19 5.0 17.7 1.0

Magnesium binding site 3 out of 8 in 8hcc

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Magnesium binding site 3 out of 8 in the Crystal Structure of MTREX1-Rna Product Complex (Amp)


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 MTREX1-Rna Product Complex (Amp) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg302

b:23.4
occ:1.00
OE1 B:GLU20 2.0 24.4 1.0
OD2 B:ASP200 2.1 22.2 1.0
OD2 B:ASP18 2.2 21.3 1.0
O2P B:AMP301 2.3 24.1 1.0
O1P B:AMP301 2.8 33.0 1.0
CD B:GLU20 3.0 25.2 1.0
P B:AMP301 3.0 28.5 1.0
HA B:HIS195 3.0 36.2 1.0
CG B:ASP18 3.1 20.1 1.0
HB2 B:ASP200 3.1 26.1 1.0
CG B:ASP200 3.1 23.0 1.0
OE2 B:GLU20 3.3 23.6 1.0
OD1 B:ASP18 3.4 19.5 1.0
CB B:ASP200 3.5 21.8 1.0
MG B:MG303 3.5 21.5 1.0
HB3 B:ASP200 3.6 26.1 1.0
O B:HOH509 3.8 19.1 1.0
HA B:ALA197 3.9 22.9 1.0
H5'2 B:AMP301 3.9 31.8 1.0
CA B:HIS195 3.9 30.2 1.0
O3P B:AMP301 4.0 24.1 1.0
O B:LEU19 4.0 17.4 1.0
O B:THR196 4.0 20.1 1.0
H B:HIS195 4.1 35.9 1.0
C B:HIS195 4.2 28.7 1.0
HD1 B:HIS195 4.2 43.8 1.0
O5' B:AMP301 4.3 27.8 1.0
OD1 B:ASP200 4.3 23.5 1.0
HG2 B:GLU20 4.3 27.5 1.0
CG B:GLU20 4.3 22.9 1.0
C B:THR196 4.3 21.7 1.0
O B:HOH466 4.5 17.7 1.0
N B:THR196 4.5 25.8 1.0
CB B:ASP18 4.5 20.6 1.0
N B:HIS195 4.5 29.9 1.0
C5' B:AMP301 4.6 26.5 1.0
O B:HOH411 4.6 26.3 1.0
HB3 B:ASP18 4.6 24.8 1.0
CA B:ALA197 4.7 19.1 1.0
N B:ALA197 4.7 20.4 1.0
C B:LEU19 4.7 17.2 1.0
H B:THR196 4.7 31.0 1.0
HG3 B:GLU20 4.8 27.5 1.0
O B:HIS195 4.8 29.1 1.0
O B:HOH462 4.8 24.3 1.0
HA B:GLU20 4.8 20.8 1.0
H B:ASP200 4.9 19.9 1.0
H B:LEU19 4.9 24.6 1.0
ND1 B:HIS195 4.9 36.5 1.0
HB2 B:ASP18 4.9 24.8 1.0
HB3 B:HIS195 4.9 39.0 1.0
CA B:THR196 5.0 24.8 1.0
CB B:HIS195 5.0 32.5 1.0
CA B:ASP200 5.0 18.7 1.0

Magnesium binding site 4 out of 8 in 8hcc

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Magnesium binding site 4 out of 8 in the Crystal Structure of MTREX1-Rna Product Complex (Amp)


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 MTREX1-Rna Product Complex (Amp) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg303

b:21.5
occ:1.00
O2P B:AMP301 2.0 24.1 1.0
O B:HOH509 2.0 19.1 1.0
OD1 B:ASP18 2.0 19.5 1.0
O B:HOH466 2.1 17.7 1.0
O B:HOH462 2.1 24.3 1.0
O B:HOH423 2.1 21.8 1.0
CG B:ASP18 3.1 20.1 1.0
P B:AMP301 3.3 28.5 1.0
MG B:MG302 3.5 23.4 1.0
OD2 B:ASP18 3.6 21.3 1.0
O3P B:AMP301 3.8 24.1 1.0
H B:LEU19 3.9 24.6 1.0
H5'1 B:AMP301 3.9 31.8 1.0
H5'2 B:AMP301 3.9 31.8 1.0
OD2 B:ASP130 4.0 25.9 1.0
O B:LEU19 4.0 17.4 1.0
O5' B:AMP301 4.1 27.8 1.0
O B:HOH411 4.1 26.3 1.0
O B:HOH425 4.1 17.4 1.0
C5' B:AMP301 4.2 26.5 1.0
O B:HIS124 4.2 24.5 1.0
OD1 B:ASP130 4.2 26.8 1.0
HA B:ASP18 4.2 23.3 1.0
O B:HOH534 4.3 21.1 1.0
O B:HOH499 4.3 33.0 1.0
CB B:ASP18 4.4 20.6 1.0
CG B:ASP130 4.5 25.9 1.0
HB3 B:HIS124 4.5 26.3 1.0
HB2 B:ASP18 4.5 24.8 1.0
HB3 B:ASP200 4.6 26.1 1.0
O1P B:AMP301 4.6 33.0 1.0
N B:LEU19 4.6 20.5 1.0
OD2 B:ASP200 4.7 22.2 1.0
CA B:ASP18 4.8 19.4 1.0

Magnesium binding site 5 out of 8 in 8hcc

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Magnesium binding site 5 out of 8 in the Crystal Structure of MTREX1-Rna Product Complex (Amp)


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 MTREX1-Rna Product Complex (Amp) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg302

b:28.6
occ:1.00
O3P C:AMP301 1.9 29.0 1.0
OD2 C:ASP200 2.0 27.4 1.0
OD2 C:ASP18 2.1 28.9 1.0
OE2 C:GLU20 2.1 29.8 1.0
O C:HOH429 2.9 47.2 1.0
CG C:ASP18 3.0 28.2 1.0
CG C:ASP200 3.0 26.3 1.0
CD C:GLU20 3.1 30.8 1.0
HB2 C:ASP200 3.2 29.8 1.0
HA C:HIS195 3.3 48.1 1.0
P C:AMP301 3.3 34.1 1.0
OD1 C:ASP18 3.4 27.6 1.0
OE1 C:GLU20 3.4 30.9 1.0
CB C:ASP200 3.5 24.8 1.0
MG C:MG303 3.5 32.3 1.0
HB3 C:ASP200 3.6 29.8 1.0
O2P C:AMP301 3.8 33.5 1.0
O C:HOH488 3.8 25.5 1.0
HA C:ALA197 3.9 26.9 1.0
O C:LEU19 4.0 31.7 1.0
O C:THR196 4.0 27.5 1.0
O5' C:AMP301 4.0 31.6 1.0
CA C:HIS195 4.1 40.1 1.0
H5'2 C:AMP301 4.1 39.1 1.0
OD1 C:ASP200 4.2 26.7 1.0
O C:HOH428 4.3 23.2 1.0
O C:HOH404 4.3 38.4 1.0
C C:HIS195 4.3 34.0 1.0
HG2 C:GLU20 4.3 35.9 1.0
C C:THR196 4.3 24.6 1.0
CG C:GLU20 4.4 29.9 1.0
O1P C:AMP301 4.4 34.5 1.0
CB C:ASP18 4.4 26.3 1.0
H C:HIS195 4.4 47.8 1.0
HB3 C:ASP18 4.5 31.6 1.0
N C:THR196 4.5 28.7 1.0
C5' C:AMP301 4.7 32.6 1.0
C C:LEU19 4.7 27.9 1.0
CA C:ALA197 4.7 22.4 1.0
N C:ALA197 4.7 21.0 1.0
HA C:GLU20 4.8 30.0 1.0
N C:HIS195 4.8 39.8 1.0
H C:THR196 4.8 34.4 1.0
O C:HIS195 4.8 35.2 1.0
H C:ASP200 4.8 27.0 1.0
HB2 C:ASP18 4.9 31.6 1.0
HO3' C:AMP301 4.9 36.5 1.0
HG3 C:GLU20 4.9 35.9 1.0
H C:LEU19 5.0 27.6 1.0
CA C:THR196 5.0 26.6 1.0
CA C:ASP200 5.0 23.9 1.0

Magnesium binding site 6 out of 8 in 8hcc

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Magnesium binding site 6 out of 8 in the Crystal Structure of MTREX1-Rna Product Complex (Amp)


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 MTREX1-Rna Product Complex (Amp) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg303

b:32.3
occ:1.00
O C:HOH427 2.0 29.9 1.0
OD1 C:ASP18 2.1 27.6 1.0
O C:HOH488 2.1 25.5 1.0
O C:HOH428 2.1 23.2 1.0
O3P C:AMP301 2.2 29.0 1.0
O1P C:AMP301 2.4 34.5 1.0
P C:AMP301 2.8 34.1 1.0
CG C:ASP18 3.1 28.2 1.0
MG C:MG302 3.5 28.6 1.0
OD2 C:ASP18 3.6 28.9 1.0
H5'2 C:AMP301 3.7 39.1 1.0
O C:HOH404 3.8 38.4 1.0
OD2 C:ASP130 3.9 30.9 1.0
H C:LEU19 4.0 27.6 1.0
O2P C:AMP301 4.0 33.5 1.0
O C:HOH446 4.0 26.1 1.0
O5' C:AMP301 4.0 31.6 1.0
H5'1 C:AMP301 4.0 39.1 1.0
O C:LEU19 4.1 31.7 1.0
OD1 C:ASP130 4.1 32.2 1.0
C5' C:AMP301 4.1 32.6 1.0
O C:HIS124 4.1 25.5 1.0
O C:HOH476 4.1 41.6 1.0
HA C:ASP18 4.3 28.6 1.0
CG C:ASP130 4.4 31.1 1.0
CB C:ASP18 4.4 26.3 1.0
O C:HOH509 4.5 28.9 1.0
HB2 C:ASP18 4.7 31.6 1.0
N C:LEU19 4.7 23.0 1.0
HB3 C:ASP200 4.7 29.8 1.0
OD2 C:ASP200 4.7 27.4 1.0
HB3 C:HIS124 4.7 32.3 1.0
HD2 C:TYR129 4.8 42.0 1.0
CA C:ASP18 4.8 23.8 1.0

Magnesium binding site 7 out of 8 in 8hcc

Go back to Magnesium Binding Sites List in 8hcc
Magnesium binding site 7 out of 8 in the Crystal Structure of MTREX1-Rna Product Complex (Amp)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Crystal Structure of MTREX1-Rna Product Complex (Amp) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg302

b:41.9
occ:1.00
O2P D:AMP301 2.2 44.5 1.0
OD2 D:ASP18 2.2 29.4 1.0
OE1 D:GLU20 2.3 44.4 1.0
OD2 D:ASP200 2.4 27.1 1.0
O1P D:AMP301 2.9 57.3 1.0
CG D:ASP18 3.0 28.1 1.0
P D:AMP301 3.0 55.4 1.0
OD1 D:ASP18 3.0 29.2 1.0
HB2 D:ASP200 3.2 27.4 1.0
CD D:GLU20 3.2 42.9 1.0
HA D:HIS195 3.3 60.4 1.0
MG D:MG303 3.3 34.3 1.0
CG D:ASP200 3.3 25.3 1.0
O D:HOH461 3.5 25.7 1.0
OE2 D:GLU20 3.5 44.5 1.0
CB D:ASP200 3.6 22.8 1.0
HB3 D:ASP200 3.7 27.4 1.0
O3P D:AMP301 3.8 57.7 1.0
O D:LEU19 4.0 26.2 1.0
HA D:ALA197 4.0 28.4 1.0
O D:HOH411 4.0 26.1 1.0
H5'2 D:AMP301 4.2 68.2 1.0
CA D:HIS195 4.2 50.4 1.0
O5' D:AMP301 4.4 56.9 1.0
O D:THR196 4.4 30.1 1.0
CB D:ASP18 4.4 25.7 1.0
C D:HIS195 4.4 47.4 1.0
OD1 D:ASP200 4.5 26.6 1.0
H D:HIS195 4.5 60.5 1.0
HG2 D:GLU20 4.5 44.8 1.0
O D:HOH436 4.5 37.5 1.0
CG D:GLU20 4.5 37.4 1.0
HD1 D:HIS195 4.5 63.6 1.0
O D:HOH415 4.5 29.8 1.0
HB3 D:ASP18 4.6 30.8 1.0
C D:THR196 4.6 28.9 1.0
N D:THR196 4.7 41.8 1.0
C D:LEU19 4.7 26.9 1.0
HB2 D:ASP18 4.8 30.8 1.0
C5' D:AMP301 4.8 56.8 1.0
H D:LEU19 4.8 32.0 1.0
N D:HIS195 4.8 50.4 1.0
H D:THR196 4.9 50.1 1.0
CA D:ALA197 4.9 23.7 1.0
N D:ALA197 4.9 24.8 1.0
HA D:GLU20 4.9 31.7 1.0
O D:HIS195 4.9 48.3 1.0
H D:ASP200 5.0 26.9 1.0

Magnesium binding site 8 out of 8 in 8hcc

Go back to Magnesium Binding Sites List in 8hcc
Magnesium binding site 8 out of 8 in the Crystal Structure of MTREX1-Rna Product Complex (Amp)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of Crystal Structure of MTREX1-Rna Product Complex (Amp) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg303

b:34.3
occ:1.00
O2P D:AMP301 2.0 44.5 1.0
O D:HOH425 2.0 26.6 1.0
O D:HOH411 2.1 26.1 1.0
OD1 D:ASP18 2.1 29.2 1.0
O D:HOH415 2.1 29.8 1.0
O D:HOH461 2.1 25.7 1.0
CG D:ASP18 3.2 28.1 1.0
P D:AMP301 3.3 55.4 1.0
MG D:MG302 3.3 41.9 1.0
O3P D:AMP301 3.4 57.7 1.0
OD2 D:ASP18 3.8 29.4 1.0
OD2 D:ASP130 3.9 30.1 1.0
H5'2 D:AMP301 3.9 68.2 1.0
O D:HOH426 4.0 23.3 1.0
O D:HIS124 4.0 26.5 1.0
H D:LEU19 4.0 32.0 1.0
OD1 D:ASP130 4.1 31.9 1.0
O D:HOH436 4.1 37.5 1.0
O5' D:AMP301 4.2 56.9 1.0
O D:LEU19 4.2 26.2 1.0
H5'1 D:AMP301 4.2 68.2 1.0
HA D:ASP18 4.3 29.6 1.0
C5' D:AMP301 4.3 56.8 1.0
CG D:ASP130 4.4 29.5 1.0
HB3 D:HIS124 4.4 24.6 1.0
CB D:ASP18 4.5 25.7 1.0
O1P D:AMP301 4.5 57.3 1.0
O D:HOH482 4.5 25.7 1.0
HB2 D:ASP18 4.6 30.8 1.0
HB3 D:ASP200 4.7 27.4 1.0
N D:LEU19 4.8 26.6 1.0
OD2 D:ASP200 4.8 27.1 1.0
HD12 D:LEU19 4.8 37.0 1.0
CA D:ASP18 4.9 24.6 1.0

Reference:

Y.Y.Hsiao, K.W.Huang, C.Y.Wu. Molecular Insight Into the Specific Enzymatic Properties of TREX1 Revealing the Diverse Functions in Processing Rna and Dna/Rna Hybrids. Nucleic Acids Res. 2023.
ISSN: ESSN 1362-4962
DOI: 10.1093/NAR/GKAD910
Page generated: Fri Oct 4 04:47:28 2024

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