Magnesium in PDB 3tte: Crystal Structure of Enolase BRADO_4202 (Target Efi-501651) From Bradyrhizobium Complexed with Magnesium and Mandelic Acid

All present enzymatic activity of Crystal Structure of Enolase BRADO_4202 (Target Efi-501651) From Bradyrhizobium Complexed with Magnesium and Mandelic Acid:
5.1.2.2; 5.5.1.1;

The structure of Crystal Structure of Enolase BRADO_4202 (Target Efi-501651) From Bradyrhizobium Complexed with Magnesium and Mandelic Acid, PDB code: 3tte was solved by Y.Patskovsky, J.Kim, R.Toro, R.Bhosle, B.Hillerich, R.D.Seidel, E.Washington, A.Scott Glenn, S.Chowdhury, B.Evans, J.Hammond, W.D.Zencheck, H.J.Imker, J.A.Gerlt, S.C.Almo, Enzyme Function Initiative(Efi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.00
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	109.949, 118.867, 130.571, 90.00, 90.00, 90.00
R / Rfree (%)	20.4 / 26.3

The binding sites of Magnesium atom in the Crystal Structure of Enolase BRADO_4202 (Target Efi-501651) From Bradyrhizobium Complexed with Magnesium and Mandelic Acid (pdb code 3tte). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Enolase BRADO_4202 (Target Efi-501651) From Bradyrhizobium Complexed with Magnesium and Mandelic Acid, PDB code: 3tte:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Enolase BRADO_4202 (Target Efi-501651) From Bradyrhizobium Complexed with Magnesium and Mandelic Acid


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 Enolase BRADO_4202 (Target Efi-501651) From Bradyrhizobium Complexed with Magnesium and Mandelic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg361 b:36.0 occ:1.00 OE2 A:GLU222 1.8 32.3 1.0 O A:HOH442 2.0 36.4 1.0 O12 A:SMN362 2.0 61.5 1.0 OD2 A:ASP196 2.1 35.0 1.0 OE1 A:GLU248 2.1 39.2 1.0 O8 A:SMN362 2.2 45.1 1.0 C10 A:SMN362 2.7 43.8 1.0 C7 A:SMN362 2.9 76.2 1.0 CD A:GLU222 2.9 55.0 1.0 CD A:GLU248 2.9 49.6 1.0 OE2 A:GLU248 3.1 49.2 1.0 CG A:ASP196 3.2 52.9 1.0 OD1 A:ASP196 3.6 46.7 1.0 CG A:GLU222 3.7 34.3 1.0 OE1 A:GLU222 3.9 35.3 1.0 O A:HOH414 3.9 35.5 1.0 O11 A:SMN362 3.9 71.8 1.0 ND2 A:ASN198 3.9 49.0 1.0 OE1 A:GLU223 3.9 46.4 1.0 NZ A:LYS165 4.0 32.6 1.0 C1 A:SMN362 4.2 69.1 1.0 O A:HOH450 4.2 49.9 1.0 CG A:GLU248 4.3 43.2 1.0 CB A:ASP196 4.4 39.8 1.0 CE A:MET269 4.5 33.5 1.0 C6 A:SMN362 4.6 84.9 1.0 O A:HOH469 4.6 52.9 1.0 CE A:LYS165 4.7 31.7 1.0 CG A:ASN198 4.7 52.7 1.0 CD2 A:HIS298 4.7 29.5 1.0 NE2 A:HIS298 4.8 45.9 1.0 OD1 A:ASN198 4.9 55.6 1.0 CD A:GLU223 4.9 59.5 1.0 CB A:GLU222 4.9 33.0 1.0 CB A:GLU248 4.9 33.1 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Enolase BRADO_4202 (Target Efi-501651) From Bradyrhizobium Complexed with Magnesium and Mandelic Acid


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 Enolase BRADO_4202 (Target Efi-501651) From Bradyrhizobium Complexed with Magnesium and Mandelic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg361 b:34.8 occ:1.00 O B:HOH487 1.9 46.5 1.0 OE1 B:GLU248 2.0 41.5 1.0 O B:HOH428 2.1 38.4 1.0 OD2 B:ASP196 2.1 34.9 1.0 OE2 B:GLU222 2.2 41.3 1.0 O1 B:FMT363 2.2 44.7 1.0 CD B:GLU248 3.0 49.2 1.0 CD B:GLU222 3.1 39.3 1.0 C B:FMT363 3.1 56.3 1.0 CG B:ASP196 3.2 41.4 1.0 OE2 B:GLU248 3.4 45.3 1.0 CG B:GLU222 3.7 27.6 1.0 OD1 B:ASP196 3.7 45.0 1.0 NZ B:LYS165 3.8 34.4 1.0 O B:HOH391 4.0 36.2 1.0 OE1 B:GLU222 4.0 43.5 1.0 ND2 B:ASN198 4.2 41.6 1.0 O2 B:FMT363 4.3 55.6 1.0 OE1 B:GLU223 4.3 58.6 1.0 CG B:GLU248 4.4 37.5 1.0 CB B:ASP196 4.4 27.1 1.0 CE B:LYS165 4.4 34.6 1.0 CE B:MET269 4.4 31.5 1.0 CD2 B:HIS298 4.5 34.1 1.0 NE2 B:HIS298 4.6 35.8 1.0 CB B:GLU222 4.8 35.9 1.0 SD B:MET269 4.9 37.9 1.0 CG B:ASN198 4.9 61.2 1.0 O B:HOH392 4.9 42.7 1.0 CB B:GLU248 5.0 39.5 1.0

Y.Patskovsky, J.Kim, R.Toro, R.Bhosle, B.Hillerich, R.D.Seidel, E.Washington, A.Scott Glenn, S.Chowdhury, B.Evans, J.Hammond, W.D.Zencheck, H.J.Imker, J.A.Gerlt, S.C.Almo. Crystal Structure of Mandelate Racemase From Bradyrhizobium Sp. ORS278 To Be Published.