Magnesium in PDB 3thu: Crystal Structure of An Enolase From Sphingomonas Sp. SKA58 (Efi Target Efi-501683) with Bound Mg

The structure of Crystal Structure of An Enolase From Sphingomonas Sp. SKA58 (Efi Target Efi-501683) with Bound Mg, PDB code: 3thu 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)	171.55 / 1.80
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	124.799, 124.799, 343.092, 90.00, 90.00, 90.00
R / Rfree (%)	13.8 / 16.5

The structure of Crystal Structure of An Enolase From Sphingomonas Sp. SKA58 (Efi Target Efi-501683) with Bound Mg also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Magnesium atom in the Crystal Structure of An Enolase From Sphingomonas Sp. SKA58 (Efi Target Efi-501683) with Bound Mg (pdb code 3thu). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of An Enolase From Sphingomonas Sp. SKA58 (Efi Target Efi-501683) with Bound Mg, PDB code: 3thu:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of An Enolase From Sphingomonas Sp. SKA58 (Efi Target Efi-501683) with Bound 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 Sphingomonas Sp. SKA58 (Efi Target Efi-501683) with Bound Mg within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg500 b:15.9 occ:1.00 O A:HOH459 1.9 14.9 1.0 OE2 A:GLU237 2.1 12.0 1.0 OD2 A:ASP211 2.1 12.3 1.0 O A:HOH527 2.2 18.4 1.0 OE1 A:GLU263 2.3 14.7 1.0 UNK A:UNX407 2.3 19.6 1.0 CG A:ASP211 3.0 14.1 1.0 CD A:GLU263 3.1 14.8 1.0 CD A:GLU237 3.2 15.4 1.0 OD1 A:ASP211 3.3 14.0 1.0 OE2 A:GLU263 3.3 18.7 1.0 NH2 A:ARG284 3.8 13.5 1.0 CD2 A:HIS213 3.9 22.5 1.0 OD2 A:ASP238 3.9 16.9 1.0 OE1 A:GLU237 4.0 13.3 1.0 CG A:GLU237 4.0 11.3 1.0 O A:HOH471 4.1 15.5 1.0 O A:HOH435 4.1 13.1 1.0 UNK A:UNX408 4.2 22.2 1.0 NE2 A:HIS213 4.3 25.0 1.0 CB A:ASP211 4.4 11.9 1.0 CG A:GLU263 4.5 12.5 1.0 OH A:TYR160 4.6 27.9 1.0 CG A:ASP238 4.6 15.8 1.0 NH1 A:ARG148 4.7 21.9 1.0 CZ A:ARG284 4.8 15.4 1.0 NE A:ARG284 4.9 13.5 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure of An Enolase From Sphingomonas Sp. SKA58 (Efi Target Efi-501683) with Bound 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 Sphingomonas Sp. SKA58 (Efi Target Efi-501683) with Bound Mg within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg500 b:17.7 occ:1.00 O B:HOH440 2.0 15.1 1.0 OD2 B:ASP211 2.2 12.9 1.0 OE2 B:GLU237 2.2 12.9 1.0 O B:HOH597 2.2 22.1 1.0 OE1 B:GLU263 2.2 15.8 1.0 UNK B:UNX408 2.4 19.2 1.0 CD B:GLU263 3.1 11.1 1.0 CG B:ASP211 3.1 15.7 1.0 CD B:GLU237 3.2 14.8 1.0 OE2 B:GLU263 3.3 16.9 1.0 OD1 B:ASP211 3.4 12.1 1.0 NH2 B:ARG284 3.8 14.5 1.0 CD2 B:HIS213 3.9 30.0 1.0 OE1 B:GLU237 3.9 14.7 1.0 OD2 B:ASP238 3.9 19.4 1.0 CG B:GLU237 4.1 15.0 1.0 UNK B:UNX409 4.2 22.6 1.0 O B:HOH412 4.2 11.6 1.0 NE2 B:HIS213 4.2 30.6 1.0 O B:HOH475 4.2 16.7 1.0 CB B:ASP211 4.4 14.8 1.0 CG B:GLU263 4.4 11.4 1.0 OH B:TYR160 4.6 34.6 1.0 OH C:TYR76 4.6 16.6 1.0 NH1 B:ARG148 4.6 24.4 1.0 CG B:ASP238 4.6 17.3 1.0 CZ B:ARG284 4.8 11.7 1.0 NE B:ARG284 4.9 12.2 1.0 CD2 B:HIS313 5.0 14.4 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of An Enolase From Sphingomonas Sp. SKA58 (Efi Target Efi-501683) with Bound Mg


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of An Enolase From Sphingomonas Sp. SKA58 (Efi Target Efi-501683) with Bound Mg within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg500 b:16.1 occ:1.00 O C:HOH447 2.0 15.7 1.0 O C:HOH547 2.1 22.7 1.0 OE2 C:GLU237 2.1 16.4 1.0 OD2 C:ASP211 2.2 15.7 1.0 OE1 C:GLU263 2.2 16.8 1.0 UNK C:UNX407 2.3 18.0 1.0 CD C:GLU263 3.1 19.4 1.0 CG C:ASP211 3.1 16.2 1.0 CD C:GLU237 3.2 20.4 1.0 OE2 C:GLU263 3.3 16.2 1.0 OD1 C:ASP211 3.5 14.2 1.0 NH2 C:ARG284 3.7 12.0 1.0 OE1 C:GLU237 3.9 16.3 1.0 CD2 C:HIS213 3.9 24.9 1.0 OD2 C:ASP238 4.0 19.3 1.0 O C:HOH466 4.1 16.7 1.0 CG C:GLU237 4.1 13.8 1.0 UNK C:UNX408 4.2 21.2 1.0 O C:HOH435 4.2 15.2 1.0 NE2 C:HIS213 4.2 28.3 1.0 CB C:ASP211 4.4 16.9 1.0 CG C:GLU263 4.5 12.3 1.0 OH C:TYR160 4.6 29.9 1.0 NH1 C:ARG148 4.6 20.0 1.0 OH B:TYR76 4.6 15.2 1.0 CG C:ASP238 4.7 19.0 1.0 CZ C:ARG284 4.8 13.2 1.0 NE C:ARG284 4.9 15.9 1.0 CD2 C:HIS313 4.9 13.9 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 Sphingomonas Sp. SKA58 (Efi Target Efi-501683) with Bound Mg To Be Published.