Magnesium in PDB 3cq3: Structure of the Dtdp-4-Keto-L-Rhamnose Reductase Related Protein (Other Form) From Thermus Thermophilus HB8

The structure of Structure of the Dtdp-4-Keto-L-Rhamnose Reductase Related Protein (Other Form) From Thermus Thermophilus HB8, PDB code: 3cq3 was solved by J.Jeyakanthan, S.P.Kanaujia, K.Sekar, S.Satoh, Y.Kitamura, S.Yokoyama, S.Kuramitsu, Riken Structural Genomics/Proteomics Initiative (Rsgi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.61 / 2.10
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	175.122, 175.122, 99.095, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 22

The binding sites of Magnesium atom in the Structure of the Dtdp-4-Keto-L-Rhamnose Reductase Related Protein (Other Form) From Thermus Thermophilus HB8 (pdb code 3cq3). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 5 binding sites of Magnesium where determined in the Structure of the Dtdp-4-Keto-L-Rhamnose Reductase Related Protein (Other Form) From Thermus Thermophilus HB8, PDB code: 3cq3:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5;

Magnesium binding site 1 out of 5 in the Structure of the Dtdp-4-Keto-L-Rhamnose Reductase Related Protein (Other Form) From Thermus Thermophilus HB8


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of the Dtdp-4-Keto-L-Rhamnose Reductase Related Protein (Other Form) From Thermus Thermophilus HB8 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg104 b:5.8 occ:1.00 OG1 A:THR88 3.0 10.1 1.0 O A:HOH304 3.0 14.2 1.0 NE A:ARG91 3.4 12.1 1.0 CG A:ARG91 3.8 8.7 1.0 CG2 A:THR88 3.8 9.2 1.0 CB A:THR88 3.9 9.4 1.0 CD A:ARG91 3.9 10.7 1.0 N A:THR88 4.1 8.6 1.0 O A:PRO86 4.1 14.2 1.0 CZ A:ARG91 4.3 11.7 1.0 CB A:ALA90 4.3 9.5 1.0 NH2 A:ARG91 4.4 15.3 1.0 CA A:THR88 4.5 11.3 1.0 O A:THR88 4.6 10.6 1.0 C A:TRP87 4.8 9.7 1.0 O A:HOH468 4.8 38.7 1.0 C A:THR88 4.9 9.9 1.0 N A:ARG91 4.9 12.4 1.0 CA A:TRP87 5.0 10.7 1.0

Magnesium binding site 2 out of 5 in the Structure of the Dtdp-4-Keto-L-Rhamnose Reductase Related Protein (Other Form) From Thermus Thermophilus HB8


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of the Dtdp-4-Keto-L-Rhamnose Reductase Related Protein (Other Form) From Thermus Thermophilus HB8 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg104 b:15.4 occ:1.00 O B:HOH209 3.0 16.1 1.0 OG1 B:THR88 3.0 14.5 1.0 NH2 E:ARG91 3.2 17.8 1.0 NE B:ARG91 3.4 14.9 1.0 NH1 E:ARG91 3.8 17.2 1.0 CG B:ARG91 3.8 12.4 1.0 CG2 B:THR88 3.8 8.3 1.0 CB B:THR88 3.9 13.8 1.0 CD B:ARG91 3.9 14.4 1.0 CZ E:ARG91 4.0 17.3 1.0 N B:THR88 4.0 15.5 1.0 O B:PRO86 4.1 18.5 1.0 O1 E:PG4108 4.1 58.3 1.0 CZ B:ARG91 4.2 13.3 1.0 CB B:ALA90 4.3 13.1 1.0 NH2 B:ARG91 4.3 14.6 1.0 CA B:THR88 4.5 15.6 1.0 O B:THR88 4.5 19.2 1.0 CG E:PRO85 4.6 13.1 1.0 C B:TRP87 4.8 17.0 1.0 C B:THR88 4.8 18.1 1.0 N B:ARG91 4.8 19.2 1.0 O5 E:PG4108 4.9 52.9 1.0 CA B:TRP87 5.0 14.8 1.0 CB B:ARG91 5.0 16.1 1.0

Magnesium binding site 3 out of 5 in the Structure of the Dtdp-4-Keto-L-Rhamnose Reductase Related Protein (Other Form) From Thermus Thermophilus HB8


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Structure of the Dtdp-4-Keto-L-Rhamnose Reductase Related Protein (Other Form) From Thermus Thermophilus HB8 within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg105 b:12.9 occ:1.00 OG1 C:THR88 3.0 13.6 1.0 O C:HOH205 3.1 14.9 1.0 NE C:ARG91 3.4 16.9 1.0 CG2 C:THR88 3.8 10.2 1.0 CB C:THR88 3.9 17.7 1.0 CG C:ARG91 3.9 18.1 1.0 CD C:ARG91 4.0 14.9 1.0 N C:THR88 4.1 16.0 1.0 O C:PRO86 4.2 12.2 1.0 CZ C:ARG91 4.3 15.3 1.0 CB C:ALA90 4.4 12.4 1.0 NH2 C:ARG91 4.4 17.3 1.0 CA C:THR88 4.5 15.0 1.0 O C:THR88 4.6 15.2 1.0 C C:THR88 4.8 18.2 1.0 C C:TRP87 4.8 15.4 1.0 N C:ARG91 4.9 17.1 1.0

Magnesium binding site 4 out of 5 in the Structure of the Dtdp-4-Keto-L-Rhamnose Reductase Related Protein (Other Form) From Thermus Thermophilus HB8


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Structure of the Dtdp-4-Keto-L-Rhamnose Reductase Related Protein (Other Form) From Thermus Thermophilus HB8 within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg106 b:13.3 occ:1.00 OG1 D:THR88 3.0 15.3 1.0 O D:HOH405 3.1 24.7 1.0 NH2 C:ARG91 3.2 17.3 1.0 NE D:ARG91 3.4 18.9 1.0 NH1 C:ARG91 3.7 11.1 1.0 CG2 D:THR88 3.8 9.4 1.0 CG D:ARG91 3.8 18.4 1.0 CZ C:ARG91 3.9 15.3 1.0 CD D:ARG91 3.9 18.4 1.0 CB D:THR88 3.9 12.9 1.0 N D:THR88 4.1 16.0 1.0 O D:PRO86 4.2 21.7 1.0 CB D:ALA90 4.2 16.6 1.0 CZ D:ARG91 4.3 18.4 1.0 NH2 D:ARG91 4.5 21.7 1.0 CG C:PRO85 4.5 9.5 1.0 CA D:THR88 4.5 17.1 1.0 O D:THR88 4.6 15.9 1.0 N D:ARG91 4.8 19.4 1.0 C D:THR88 4.8 19.2 1.0 C D:TRP87 4.9 15.8 1.0 CB D:ARG91 5.0 18.1 1.0

Magnesium binding site 5 out of 5 in the Structure of the Dtdp-4-Keto-L-Rhamnose Reductase Related Protein (Other Form) From Thermus Thermophilus HB8


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Structure of the Dtdp-4-Keto-L-Rhamnose Reductase Related Protein (Other Form) From Thermus Thermophilus HB8 within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg107 b:14.6 occ:1.00 O E:HOH577 3.0 20.8 1.0 OG1 E:THR88 3.0 15.7 1.0 NE E:ARG91 3.4 18.4 1.0 C7 E:PG4108 3.8 54.7 1.0 CG E:ARG91 3.9 17.7 1.0 CG2 E:THR88 3.9 15.4 1.0 CD E:ARG91 3.9 16.9 1.0 CB E:THR88 3.9 14.6 1.0 N E:THR88 4.1 16.5 1.0 O E:PRO86 4.1 20.9 1.0 CB E:ALA90 4.3 12.4 1.0 CZ E:ARG91 4.3 17.3 1.0 C8 E:PG4108 4.3 53.6 1.0 NH2 E:ARG91 4.4 17.8 1.0 CA E:THR88 4.5 16.7 1.0 O5 E:PG4108 4.5 52.9 1.0 O E:THR88 4.6 17.6 1.0 C E:TRP87 4.8 14.7 1.0 O4 E:PG4108 4.8 56.4 1.0 C E:THR88 4.9 18.4 1.0 N E:ARG91 4.9 17.3 1.0 O E:HOH485 4.9 62.9 1.0 C6 E:PG4108 5.0 54.7 1.0 CB E:ARG91 5.0 20.8 1.0

J.Jeyakanthan, S.P.Kanaujia, K.Sekar, S.Satoh, Y.Kitamura, S.Yokoyama, S.Kurmamitsu. Structure of the Dtdp-4-Keto-L-Rhamnose Reductase Related Protein (Other Form) From Thermus Thermophilus HB8 To Be Published.