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Magnesium in PDB 4qyi: 1.95 Angstrom Resolution Crystal Structure of A Hypoxanthine-Guanine Phosphoribosyltransferase (Hpt-2) From Bacillus Anthracis Str. 'Ames Ancestor' with Hepes Molecule in the Active Site

Enzymatic activity of 1.95 Angstrom Resolution Crystal Structure of A Hypoxanthine-Guanine Phosphoribosyltransferase (Hpt-2) From Bacillus Anthracis Str. 'Ames Ancestor' with Hepes Molecule in the Active Site

All present enzymatic activity of 1.95 Angstrom Resolution Crystal Structure of A Hypoxanthine-Guanine Phosphoribosyltransferase (Hpt-2) From Bacillus Anthracis Str. 'Ames Ancestor' with Hepes Molecule in the Active Site:
2.4.2.8;

Protein crystallography data

The structure of 1.95 Angstrom Resolution Crystal Structure of A Hypoxanthine-Guanine Phosphoribosyltransferase (Hpt-2) From Bacillus Anthracis Str. 'Ames Ancestor' with Hepes Molecule in the Active Site, PDB code: 4qyi was solved by A.S.Halavaty, G.Minasov, I.Dubrovska, J.Winsor, L.Shuvalova, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 27.99 / 1.95
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 172.779, 117.009, 56.883, 90.00, 90.96, 90.00
R / Rfree (%) 22.1 / 25.2

Magnesium Binding Sites:

The binding sites of Magnesium atom in the 1.95 Angstrom Resolution Crystal Structure of A Hypoxanthine-Guanine Phosphoribosyltransferase (Hpt-2) From Bacillus Anthracis Str. 'Ames Ancestor' with Hepes Molecule in the Active Site (pdb code 4qyi). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 9 binding sites of Magnesium where determined in the 1.95 Angstrom Resolution Crystal Structure of A Hypoxanthine-Guanine Phosphoribosyltransferase (Hpt-2) From Bacillus Anthracis Str. 'Ames Ancestor' with Hepes Molecule in the Active Site, PDB code: 4qyi:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Magnesium binding site 1 out of 9 in 4qyi

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Magnesium binding site 1 out of 9 in the 1.95 Angstrom Resolution Crystal Structure of A Hypoxanthine-Guanine Phosphoribosyltransferase (Hpt-2) From Bacillus Anthracis Str. 'Ames Ancestor' with Hepes Molecule in the Active Site


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of 1.95 Angstrom Resolution Crystal Structure of A Hypoxanthine-Guanine Phosphoribosyltransferase (Hpt-2) From Bacillus Anthracis Str. 'Ames Ancestor' with Hepes Molecule in the Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg201

b:55.5
occ:1.00
 O A:HOH314 1.8 47.6 1.0
OD1 A:ASP99 2.0 60.7 1.0
O A:HOH321 2.1 56.3 1.0
OE2 A:GLU98 2.1 52.2 1.0
O A:HOH326 2.2 56.9 1.0
O A:HOH308 2.3 47.3 1.0
CG A:ASP99 3.0 60.3 1.0
CD A:GLU98 3.1 54.2 1.0
OD2 A:ASP99 3.4 66.4 1.0
OE1 A:GLU98 3.5 53.4 1.0
O4 A:PO4202 3.5 88.5 0.8
O A:HOH317 3.6 82.3 1.0
N A:ASP99 4.1 56.2 1.0
CB A:ASP99 4.3 60.5 1.0
O A:VAL40 4.3 49.5 1.0
N A:ILE100 4.5 58.6 1.0
CG A:GLU98 4.5 52.4 1.0
CG1 A:VAL40 4.7 52.4 1.0
P A:PO4202 4.7 98.1 0.8
O A:ILE100 4.7 57.6 1.0
O3 A:PO4202 4.7 79.7 0.8
CA A:ASP99 4.7 59.2 1.0
CB A:VAL40 4.8 49.8 1.0
O A:HOH331 4.8 78.4 1.0
CB A:GLU98 4.8 53.4 1.0
CA A:GLY43 4.9 57.0 1.0
N A:SER44 4.9 54.1 1.0
CA A:GLU98 4.9 52.4 1.0
N A:GLY43 5.0 54.0 1.0

Magnesium binding site 2 out of 9 in 4qyi

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Magnesium binding site 2 out of 9 in the 1.95 Angstrom Resolution Crystal Structure of A Hypoxanthine-Guanine Phosphoribosyltransferase (Hpt-2) From Bacillus Anthracis Str. 'Ames Ancestor' with Hepes Molecule in the Active Site


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of 1.95 Angstrom Resolution Crystal Structure of A Hypoxanthine-Guanine Phosphoribosyltransferase (Hpt-2) From Bacillus Anthracis Str. 'Ames Ancestor' with Hepes Molecule in the Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg201

b:36.0
occ:1.00
 O B:HOH365 1.9 31.0 1.0
OE2 B:GLU98 2.0 33.6 1.0
OD1 B:ASP99 2.0 31.7 1.0
O B:HOH355 2.0 37.2 1.0
O B:HOH383 2.3 36.0 1.0
O B:HOH335 2.3 37.0 1.0
CD B:GLU98 3.0 34.1 1.0
CG B:ASP99 3.1 31.4 1.0
OE1 B:GLU98 3.3 35.1 1.0
OD2 B:ASP99 3.5 32.4 1.0
O3 B:PO4203 3.7 46.1 1.0
O B:HOH333 4.0 47.1 1.0
C6 B:EPE204 4.1 72.0 1.0
N B:ASP99 4.2 29.6 1.0
N1 B:EPE204 4.2 68.4 1.0
CG B:GLU98 4.3 32.3 1.0
N B:ILE100 4.3 31.6 1.0
O B:ILE100 4.4 32.2 1.0
CB B:ASP99 4.4 30.8 1.0
O4 B:PO4203 4.6 55.9 1.0
C3 B:EPE204 4.6 61.6 1.0
O B:VAL40 4.6 27.4 1.0
CB B:GLU98 4.7 31.8 1.0
CG1 B:VAL40 4.8 28.4 1.0
N4 B:EPE204 4.8 60.1 1.0
CA B:ASP99 4.8 30.3 1.0
P B:PO4203 4.9 54.6 1.0
C2 B:EPE204 4.9 56.3 1.0
CB B:VAL40 4.9 28.8 1.0
CA B:GLU98 4.9 30.1 1.0

Magnesium binding site 3 out of 9 in 4qyi

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Magnesium binding site 3 out of 9 in the 1.95 Angstrom Resolution Crystal Structure of A Hypoxanthine-Guanine Phosphoribosyltransferase (Hpt-2) From Bacillus Anthracis Str. 'Ames Ancestor' with Hepes Molecule in the Active Site


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of 1.95 Angstrom Resolution Crystal Structure of A Hypoxanthine-Guanine Phosphoribosyltransferase (Hpt-2) From Bacillus Anthracis Str. 'Ames Ancestor' with Hepes Molecule in the Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg202

b:67.2
occ:1.00
 O B:HOH337 2.2 56.0 1.0
O B:HOH402 2.2 66.6 1.0
OD1 B:ASP158 2.2 34.4 1.0
O1 B:PO4203 2.5 36.8 1.0
O8 B:EPE204 2.6 83.0 1.0
O B:HOH401 2.8 57.6 1.0
CG B:ASP158 3.1 33.6 1.0
C8 B:EPE204 3.2 87.3 1.0
OD2 B:ASP158 3.3 35.5 1.0
P B:PO4203 3.6 54.6 1.0
O4 B:PO4203 3.6 55.9 1.0
O B:HOH336 3.9 46.5 1.0
NH2 B:ARG164 4.0 33.2 1.0
O2 B:PO4203 4.4 55.3 1.0
O B:HOH316 4.5 47.8 1.0
NH1 B:ARG164 4.6 30.2 1.0
CB B:ASP158 4.6 31.2 1.0
O B:ASP158 4.6 33.6 1.0
CZ B:ARG164 4.7 31.4 1.0
O3 B:PO4203 4.7 46.1 1.0
C7 B:EPE204 4.7 83.1 1.0
N B:ASP158 4.9 28.7 1.0

Magnesium binding site 4 out of 9 in 4qyi

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Magnesium binding site 4 out of 9 in the 1.95 Angstrom Resolution Crystal Structure of A Hypoxanthine-Guanine Phosphoribosyltransferase (Hpt-2) From Bacillus Anthracis Str. 'Ames Ancestor' with Hepes Molecule in the Active Site


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of 1.95 Angstrom Resolution Crystal Structure of A Hypoxanthine-Guanine Phosphoribosyltransferase (Hpt-2) From Bacillus Anthracis Str. 'Ames Ancestor' with Hepes Molecule in the Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg201

b:35.2
occ:1.00
 O C:HOH377 1.7 33.4 1.0
O C:HOH361 1.9 31.4 1.0
OD1 C:ASP99 2.0 34.7 1.0
OE2 C:GLU98 2.0 33.6 1.0
O C:HOH360 2.3 32.6 1.0
O C:HOH352 2.3 35.5 1.0
CG C:ASP99 3.0 34.4 1.0
CD C:GLU98 3.1 41.1 1.0
OE1 C:GLU98 3.4 36.2 1.0
OD2 C:ASP99 3.4 39.3 1.0
O4 C:PO4203 3.7 43.9 1.0
O C:HOH376 4.0 57.8 1.0
N C:ASP99 4.2 29.6 1.0
N C:ILE100 4.3 32.5 1.0
N1 C:EPE204 4.3 64.2 1.0
CB C:ASP99 4.4 31.6 1.0
C5 C:EPE204 4.4 56.0 1.0
O C:ILE100 4.4 35.5 1.0
CG C:GLU98 4.4 38.1 1.0
O1 C:PO4203 4.6 53.2 1.0
O C:VAL40 4.7 28.7 1.0
N4 C:EPE204 4.7 64.6 1.0
CB C:GLU98 4.7 35.6 1.0
CA C:ASP99 4.8 30.9 1.0
C2 C:EPE204 4.8 54.7 1.0
C6 C:EPE204 4.8 62.4 1.0
P C:PO4203 4.8 52.7 1.0
CG1 C:VAL40 4.9 32.1 1.0
CA C:GLU98 5.0 30.6 1.0
CB C:VAL40 5.0 31.7 1.0

Magnesium binding site 5 out of 9 in 4qyi

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Magnesium binding site 5 out of 9 in the 1.95 Angstrom Resolution Crystal Structure of A Hypoxanthine-Guanine Phosphoribosyltransferase (Hpt-2) From Bacillus Anthracis Str. 'Ames Ancestor' with Hepes Molecule in the Active Site


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of 1.95 Angstrom Resolution Crystal Structure of A Hypoxanthine-Guanine Phosphoribosyltransferase (Hpt-2) From Bacillus Anthracis Str. 'Ames Ancestor' with Hepes Molecule in the Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg202

b:63.8
occ:1.00
 OD1 C:ASP158 2.2 42.2 1.0
O C:HOH348 2.3 38.1 0.4
O3 C:PO4203 2.5 41.7 1.0
O C:HOH359 2.6 65.0 1.0
CG C:ASP158 3.2 42.3 1.0
OD2 C:ASP158 3.4 44.0 1.0
P C:PO4203 3.6 52.7 1.0
O1 C:PO4203 3.7 53.2 1.0
O C:HOH386 3.9 70.0 1.0
O C:HOH347 3.9 34.4 0.6
C7 C:EPE204 4.0 70.4 1.0
NH2 C:ARG164 4.2 42.5 1.0
O C:ASP158 4.4 41.9 1.0
O8 C:EPE204 4.5 85.3 1.0
O C:HOH395 4.5 60.6 1.0
O2 C:PO4203 4.6 50.1 1.0
CB C:ASP158 4.6 40.7 1.0
O4 C:PO4203 4.6 43.9 1.0
NH1 C:ARG164 4.7 37.5 1.0
N C:ASP158 4.7 37.9 1.0
C8 C:EPE204 4.7 90.7 1.0
C C:ASP158 4.8 43.0 1.0
CZ C:ARG164 4.8 39.3 1.0
CA C:ASP158 5.0 40.1 1.0

Magnesium binding site 6 out of 9 in 4qyi

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Magnesium binding site 6 out of 9 in the 1.95 Angstrom Resolution Crystal Structure of A Hypoxanthine-Guanine Phosphoribosyltransferase (Hpt-2) From Bacillus Anthracis Str. 'Ames Ancestor' with Hepes Molecule in the Active Site


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of 1.95 Angstrom Resolution Crystal Structure of A Hypoxanthine-Guanine Phosphoribosyltransferase (Hpt-2) From Bacillus Anthracis Str. 'Ames Ancestor' with Hepes Molecule in the Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg201

b:67.0
occ:1.00
 O D:HOH316 2.0 57.1 1.0
O D:HOH319 2.0 66.1 1.0
OD1 D:ASP99 2.1 65.5 1.0
OE2 D:GLU98 2.1 57.0 1.0
O D:HOH302 2.5 52.3 1.0
CG D:ASP99 3.1 65.6 1.0
CD D:GLU98 3.1 57.7 1.0
OE1 D:GLU98 3.4 60.6 1.0
OD2 D:ASP99 3.4 72.2 1.0
O2 D:PO4202 3.6 75.2 1.0
N D:ASP99 4.2 58.7 1.0
CB D:ASP99 4.4 62.8 1.0
N D:ILE100 4.4 61.8 1.0
O D:HOH322 4.4 71.6 1.0
O D:ILE100 4.5 61.0 1.0
CG D:GLU98 4.5 58.5 1.0
O1 D:PO4202 4.6 56.1 1.0
O D:VAL40 4.6 49.5 1.0
P D:PO4202 4.7 77.0 1.0
O D:HOH306 4.7 51.4 0.5
CG1 D:VAL40 4.8 54.4 1.0
CA D:ASP99 4.8 61.4 1.0
CB D:GLU98 4.9 57.2 1.0
CB D:VAL40 5.0 51.5 1.0

Magnesium binding site 7 out of 9 in 4qyi

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Magnesium binding site 7 out of 9 in the 1.95 Angstrom Resolution Crystal Structure of A Hypoxanthine-Guanine Phosphoribosyltransferase (Hpt-2) From Bacillus Anthracis Str. 'Ames Ancestor' with Hepes Molecule in the Active Site


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of 1.95 Angstrom Resolution Crystal Structure of A Hypoxanthine-Guanine Phosphoribosyltransferase (Hpt-2) From Bacillus Anthracis Str. 'Ames Ancestor' with Hepes Molecule in the Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mg201

b:52.0
occ:1.00
 OD1 E:ASP99 1.9 51.6 1.0
O E:HOH349 2.0 44.1 1.0
OE2 E:GLU98 2.0 48.1 1.0
O E:HOH372 2.1 50.6 1.0
O E:HOH350 2.2 50.1 1.0
O E:HOH367 2.2 49.9 1.0
CG E:ASP99 3.0 42.2 1.0
CD E:GLU98 3.0 49.5 1.0
OE1 E:GLU98 3.4 48.1 1.0
OD2 E:ASP99 3.4 46.9 1.0
N E:ASP99 4.1 40.9 1.0
O E:HOH366 4.1 60.3 1.0
O1 E:PO4205 4.1 64.4 1.0
N E:ILE100 4.2 41.2 1.0
C2 E:EPE207 4.2 51.8 0.5
O E:ILE100 4.3 46.3 1.0
CB E:ASP99 4.3 38.7 1.0
CG E:GLU98 4.4 46.3 1.0
C3 E:EPE207 4.4 49.4 0.5
C5 E:EPE207 4.7 55.9 0.5
CB E:GLU98 4.7 43.0 1.0
CA E:ASP99 4.7 38.3 1.0
C6 E:EPE207 4.8 52.3 0.5
O E:VAL40 4.8 45.9 1.0
O4 E:PO4205 4.8 74.3 1.0
CA E:GLU98 4.9 41.8 1.0
CG1 E:VAL40 5.0 50.6 1.0
N1 E:EPE207 5.0 56.9 0.5
C E:ASP99 5.0 37.9 1.0

Magnesium binding site 8 out of 9 in 4qyi

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Magnesium binding site 8 out of 9 in the 1.95 Angstrom Resolution Crystal Structure of A Hypoxanthine-Guanine Phosphoribosyltransferase (Hpt-2) From Bacillus Anthracis Str. 'Ames Ancestor' with Hepes Molecule in the Active Site


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of 1.95 Angstrom Resolution Crystal Structure of A Hypoxanthine-Guanine Phosphoribosyltransferase (Hpt-2) From Bacillus Anthracis Str. 'Ames Ancestor' with Hepes Molecule in the Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mg202

b:71.8
occ:1.00
 O E:HOH341 1.9 58.1 1.0
O E:HOH370 2.0 65.3 1.0
O E:HOH369 2.2 61.4 1.0
O E:HOH371 2.2 58.9 1.0
O E:HOH340 2.6 55.9 1.0
OG1 E:THR60 3.8 45.3 1.0
OE1 E:GLU34 4.3 74.1 1.0
OD2 E:ASP58 4.4 66.3 1.0
O E:HOH325 4.4 48.5 1.0
OD1 E:ASP58 4.7 54.7 1.0
CG E:ASP58 5.0 56.4 1.0

Magnesium binding site 9 out of 9 in 4qyi

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Magnesium binding site 9 out of 9 in the 1.95 Angstrom Resolution Crystal Structure of A Hypoxanthine-Guanine Phosphoribosyltransferase (Hpt-2) From Bacillus Anthracis Str. 'Ames Ancestor' with Hepes Molecule in the Active Site


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 9 of 1.95 Angstrom Resolution Crystal Structure of A Hypoxanthine-Guanine Phosphoribosyltransferase (Hpt-2) From Bacillus Anthracis Str. 'Ames Ancestor' with Hepes Molecule in the Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mg203

b:62.6
occ:1.00
 O2 E:PO4205 2.2 56.3 1.0
O E:HOH381 2.2 74.4 1.0
O E:HOH373 2.3 48.7 0.5
O8 E:EPE207 2.3 57.0 0.5
OD1 E:ASP158 2.3 44.7 1.0
O E:HOH373 2.8 43.4 0.5
O E:HOH374 3.0 64.5 1.0
CG E:ASP158 3.2 45.4 1.0
OD2 E:ASP158 3.3 46.9 1.0
P E:PO4205 3.4 58.9 1.0
O4 E:PO4205 3.5 74.3 1.0
C8 E:EPE207 3.5 59.8 0.5
NH2 E:ARG164 3.8 40.2 1.0
O E:HOH346 3.9 54.5 1.0
O3 E:PO4205 4.2 50.8 1.0
O1 E:PO4205 4.5 64.4 1.0
NH1 E:ARG164 4.5 38.7 1.0
CZ E:ARG164 4.6 39.5 1.0
CB E:ASP158 4.6 41.0 1.0
C7 E:EPE207 4.7 61.5 0.5
O E:ASP158 4.8 42.1 1.0
N E:ASP158 5.0 39.4 1.0

Reference:

A.S.Halavaty, G.Minasov, I.Dubrovska, J.Winsor, L.Shuvalova, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid). 1.95 Angstrom Resolution Crystal Structure of A Hypoxanthine-Guanine Phosphoribosyltransferase (Hpt-2) From Bacillus Anthracis Str. 'Ames Ancestor' with Hepes Molecule in the Active Site To Be Published.
Page generated: Tue Aug 20 02:35:25 2024

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