Magnesium in PDB 3t6c: Crystal Structure of An Enolase From Pantoea Ananatis (Efi Target Efi- 501676) with Bound D-Gluconate and Mg

The structure of Crystal Structure of An Enolase From Pantoea Ananatis (Efi Target Efi- 501676) with Bound D-Gluconate and Mg, PDB code: 3t6c was solved by M.W.Vetting, R.Toro, R.Bhosle, S.R.Wasserman, L.L.Morisco, B.Hillerich, E.Washington, A.Scott Glenn, S.Chowdhury, B.Evans, J.Hammonds, 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)	21.22 / 1.60
Space group	P 4 21 2
Cell size a, b, c (Å), α, β, γ (°)	130.790, 130.790, 104.680, 90.00, 90.00, 90.00
R / Rfree (%)	13.9 / 16.8

The structure of Crystal Structure of An Enolase From Pantoea Ananatis (Efi Target Efi- 501676) with Bound D-Gluconate and Mg also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Magnesium atom in the Crystal Structure of An Enolase From Pantoea Ananatis (Efi Target Efi- 501676) with Bound D-Gluconate and Mg (pdb code 3t6c). 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 An Enolase From Pantoea Ananatis (Efi Target Efi- 501676) with Bound D-Gluconate and Mg, PDB code: 3t6c:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of An Enolase From Pantoea Ananatis (Efi Target Efi- 501676) with Bound D-Gluconate and Mg


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 An Enolase From Pantoea Ananatis (Efi Target Efi- 501676) with Bound D-Gluconate and Mg within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg501 b:8.0 occ:1.00 OD2 A:ASP223 2.0 8.4 1.0 OE2 A:GLU249 2.1 8.9 1.0 O A:HOH420 2.1 8.6 1.0 O12 A:GCO601 2.1 9.4 1.0 OE1 A:GLU275 2.2 9.8 1.0 O2 A:GCO601 2.2 10.2 1.0 C1 A:GCO601 2.9 12.6 1.0 C2 A:GCO601 3.0 13.4 1.0 CD A:GLU249 3.0 9.7 1.0 CG A:ASP223 3.0 8.7 1.0 CD A:GLU275 3.1 11.1 1.0 OE2 A:GLU275 3.3 9.5 1.0 OD1 A:ASP223 3.4 9.0 1.0 OE1 A:GLU249 3.7 11.2 1.0 NH2 A:ARG296 3.9 9.2 1.0 O A:HOH453 4.0 11.5 1.0 CG A:GLU249 4.0 8.4 1.0 CD2 A:HIS225 4.1 9.9 1.0 O11 A:GCO601 4.1 11.7 1.0 O A:HOH450 4.2 11.0 1.0 OD2 A:ASP250 4.2 10.0 1.0 CB A:ASP223 4.3 10.2 1.0 NH1 A:ARG152 4.4 16.7 1.0 C3 A:GCO601 4.4 15.7 1.0 CG A:GLU275 4.4 8.9 1.0 OH A:TYR158 4.5 20.0 1.0 NE2 A:HIS225 4.7 11.2 1.0 O3 A:GCO601 4.8 15.7 1.0 CG A:ASP250 4.8 10.5 1.0 CZ A:ARG296 4.9 9.1 1.0 NE A:ARG296 4.9 9.4 1.0 CG A:HIS225 5.0 8.8 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of An Enolase From Pantoea Ananatis (Efi Target Efi- 501676) with Bound D-Gluconate and Mg


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 An Enolase From Pantoea Ananatis (Efi Target Efi- 501676) with Bound D-Gluconate and Mg within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg501 b:8.2 occ:1.00 OE2 B:GLU249 2.1 8.6 1.0 OD2 B:ASP223 2.1 10.3 1.0 O B:HOH440 2.1 10.5 1.0 OE1 B:GLU275 2.1 8.9 1.0 O12 B:GCO601 2.1 10.8 1.0 O2 B:GCO601 2.2 11.4 1.0 C1 B:GCO601 2.9 14.6 1.0 C2 B:GCO601 3.0 15.4 1.0 CD B:GLU249 3.0 9.1 1.0 CD B:GLU275 3.0 9.4 1.0 CG B:ASP223 3.1 10.8 1.0 OE2 B:GLU275 3.2 10.4 1.0 OD1 B:ASP223 3.4 9.9 1.0 OE1 B:GLU249 3.7 11.6 1.0 NH2 B:ARG296 3.8 10.3 1.0 CG B:GLU249 4.0 7.3 1.0 O B:HOH455 4.0 10.9 1.0 O B:HOH437 4.1 10.3 1.0 CD2 B:HIS225 4.2 13.2 1.0 O11 B:GCO601 4.2 13.0 1.0 OD2 B:ASP250 4.2 11.8 1.0 NH2 B:ARG152 4.2 30.6 1.0 CB B:ASP223 4.4 9.1 1.0 CG B:GLU275 4.4 8.3 1.0 C3 B:GCO601 4.4 23.7 1.0 O3 B:GCO601 4.6 26.8 1.0 NE2 B:HIS225 4.7 14.4 1.0 CG B:ASP250 4.8 10.0 1.0 CZ B:ARG296 4.9 9.7 1.0 NE B:ARG296 4.9 9.5 1.0 CG B:HIS225 5.0 10.2 1.0 CB B:GLU275 5.0 6.4 1.0 CD2 B:HIS325 5.0 14.1 1.0

M.W.Vetting, R.Toro, R.Bhosle, S.R.Wasserman, L.L.Morisco, B.Hillerich, E.Washington, A.Scott Glenn, S.Chowdhury, B.Evans, J.Hammonds, W.D.Zencheck, H.J.Imker, J.A.Gerlt, S.C.Almo, Enzyme Function Initiative (Efi). Crystal Structure of An Enolase From Pantoea Ananatis (Efi Target Efi-501676) with Bound D-Gluconate and Mg To Be Published.