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Magnesium in PDB 1t0t: Crystallographic Structure of A Putative Chlorite Dismutase

Protein crystallography data

The structure of Crystallographic Structure of A Putative Chlorite Dismutase, PDB code: 1t0t was solved by M.Gilski, D.Borek, Y.Chen, F.Collart, A.Joachimiak, Z.Otwinowski, Midwestcenter For Structural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 25.00 / 1.75
Space group I 2 3 1
Cell size a, b, c (Å), α, β, γ (°) 202.839, 202.839, 202.839, 90.00, 90.00, 90.00
R / Rfree (%) 15.6 / 19.4

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystallographic Structure of A Putative Chlorite Dismutase (pdb code 1t0t). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 5 binding sites of Magnesium where determined in the Crystallographic Structure of A Putative Chlorite Dismutase, PDB code: 1t0t:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5;

Magnesium binding site 1 out of 5 in 1t0t

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Magnesium binding site 1 out of 5 in the Crystallographic Structure of A Putative Chlorite Dismutase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystallographic Structure of A Putative Chlorite Dismutase within 5.0Å range:
probe atom residue distance (Å) B Occ
V:Mg4004

b:21.6
occ:1.00
 O V:HOH4262 2.1 23.6 1.0
O V:HOH4263 2.1 18.6 1.0
O V:HOH4260 2.1 21.9 1.0
O Z:HOH5841 2.1 20.4 1.0
O Z:HOH5842 2.2 22.2 1.0
O V:HOH4261 2.2 22.2 1.0
O V:HOH4134 3.9 24.7 1.0
O Z:HOH5653 4.0 20.5 1.0
O Z:HOH5603 4.0 20.4 1.0
O V:LEU98 4.2 14.7 1.0
O Z:HOH5743 4.3 43.0 1.0
O Z:HOH5685 4.3 22.9 1.0
CD V:PRO100 4.3 18.5 1.0
O V:HOH4041 4.3 17.6 1.0
O V:HOH4020 4.5 20.2 1.0
CG V:PRO100 4.5 25.1 1.0
O V:HOH4131 4.6 28.6 1.0
NH1 V:ARG18 4.6 16.2 1.0
O Z:ILE20 4.6 15.9 1.0
O V:ALA95 4.6 18.2 1.0
OD1 V:ASN90 4.6 21.1 1.0
CD1 Z:TRP22 5.0 17.3 1.0

Magnesium binding site 2 out of 5 in 1t0t

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Magnesium binding site 2 out of 5 in the Crystallographic Structure of A Putative Chlorite Dismutase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystallographic Structure of A Putative Chlorite Dismutase within 5.0Å range:
probe atom residue distance (Å) B Occ
W:Mg4003

b:21.0
occ:1.00
 O W:HOH4255 2.0 18.1 1.0
O W:HOH4258 2.1 19.8 1.0
O W:HOH4256 2.1 20.3 1.0
O W:HOH4257 2.1 21.8 1.0
O V:HOH4259 2.2 24.2 1.0
O V:HOH4258 2.2 20.5 1.0
O W:HOH4033 3.9 22.7 1.0
O V:HOH4030 4.0 20.0 1.0
O V:HOH4018 4.1 23.0 1.0
O W:LEU98 4.3 18.5 1.0
O V:HOH4088 4.3 21.7 1.0
O W:HOH4024 4.3 21.0 1.0
O V:HOH4163 4.3 38.8 1.0
O W:HOH4020 4.4 22.1 1.0
CD W:PRO100 4.4 19.8 1.0
O V:HOH4233 4.5 31.1 1.0
O W:ALA95 4.6 19.9 1.0
NH1 W:ARG18 4.6 18.2 1.0
O V:ILE20 4.7 17.1 1.0
OD1 W:ASN90 4.7 23.8 1.0
CG W:PRO100 4.8 23.8 1.0

Magnesium binding site 3 out of 5 in 1t0t

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Magnesium binding site 3 out of 5 in the Crystallographic Structure of A Putative Chlorite Dismutase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystallographic Structure of A Putative Chlorite Dismutase within 5.0Å range:
probe atom residue distance (Å) B Occ
X:Mg4005

b:18.9
occ:1.00
 O X:HOH5600 2.1 18.9 1.0
O X:HOH5599 2.1 17.0 1.0
O X:HOH5601 2.1 17.4 1.0
O X:HOH5602 2.1 19.4 1.0
O Y:HOH5598 2.2 17.3 1.0
O Y:HOH5597 2.2 18.1 1.0
O X:HOH592 4.0 19.1 1.0
O Y:HOH777 4.0 17.4 1.0
O Y:HOH773 4.0 19.0 1.0
O Y:HOH893 4.2 36.2 1.0
O X:HOH531 4.2 19.5 1.0
O X:LEU98 4.2 15.6 1.0
O Y:HOH838 4.3 18.1 1.0
CD X:PRO100 4.3 15.8 1.0
O X:HOH664 4.4 30.8 1.0
O X:HOH502 4.4 20.8 1.0
O Y:ILE20 4.6 16.9 1.0
CG X:PRO100 4.6 18.6 1.0
NH1 X:ARG18 4.7 18.5 1.0
O X:ALA95 4.7 17.2 1.0
OD1 X:ASN90 4.8 22.7 1.0

Magnesium binding site 4 out of 5 in 1t0t

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Magnesium binding site 4 out of 5 in the Crystallographic Structure of A Putative Chlorite Dismutase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystallographic Structure of A Putative Chlorite Dismutase within 5.0Å range:
probe atom residue distance (Å) B Occ
Y:Mg4002

b:26.9
occ:1.00
 O W:HOH4254 2.0 28.0 1.0
O Y:HOH5582 2.1 24.7 1.0
O W:HOH4253 2.1 27.5 1.0
O W:HOH4252 2.2 29.2 1.0
O Y:HOH5581 2.2 23.1 1.0
O Y:HOH5583 2.3 27.9 1.0
O W:HOH4136 3.8 48.5 1.0
O W:HOH4023 3.9 24.4 1.0
O Y:HOH839 3.9 29.9 1.0
O W:HOH4019 4.0 23.0 1.0
O W:HOH4093 4.3 26.4 1.0
O Y:LEU98 4.3 17.5 1.0
CD Y:PRO100 4.3 26.4 1.0
O W:HOH4242 4.3 42.6 1.0
O Y:HOH790 4.4 25.5 1.0
NH1 Y:ARG18 4.6 20.0 1.0
O Y:HOH778 4.6 20.0 1.0
O W:ILE20 4.7 16.9 1.0
CG Y:PRO100 4.7 29.3 1.0
OD1 Y:ASN90 4.7 24.3 1.0
N Y:PRO100 4.8 23.4 1.0
O Y:ALA95 4.9 16.7 1.0
CD1 W:TRP22 4.9 14.4 1.0

Magnesium binding site 5 out of 5 in 1t0t

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Magnesium binding site 5 out of 5 in the Crystallographic Structure of A Putative Chlorite Dismutase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Crystallographic Structure of A Putative Chlorite Dismutase within 5.0Å range:
probe atom residue distance (Å) B Occ
Z:Mg4001

b:22.5
occ:1.00
 O Z:HOH5839 2.1 19.2 1.0
O Z:HOH5837 2.1 31.3 1.0
O X:HOH5575 2.1 30.7 1.0
O Z:HOH5838 2.1 26.4 1.0
O Z:HOH5840 2.1 31.0 1.0
O X:HOH5577 2.1 25.9 1.0
O Z:HOH5611 3.8 32.2 1.0
O X:HOH507 4.0 22.2 1.0
O X:HOH508 4.0 23.6 1.0
O X:HOH616 4.3 44.0 1.0
O X:HOH581 4.3 27.0 1.0
O Z:HOH5609 4.4 21.2 1.0
O Z:HOH5711 4.4 33.3 1.0
O Z:LEU98 4.4 18.2 1.0
CD Z:PRO100 4.4 23.4 1.0
O Z:HOH5600 4.5 19.5 1.0
NH1 Z:ARG18 4.7 20.9 1.0
OD1 Z:ASN90 4.7 22.0 1.0
O X:ILE20 4.7 18.6 1.0
O Z:ALA95 4.8 17.4 1.0
CG Z:PRO100 4.8 25.5 1.0
CD1 X:TRP22 4.9 15.5 1.0

Reference:

M.Gilski, D.Borek, Y.Chen, F.Collart, A.Joachimiak, Z.Otwinowski. Crystal Structure of APC35880 Protein From Bacillus Stearothermophilus To Be Published.
Page generated: Tue Aug 13 14:24:53 2024

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