Magnesium in PDB 4yo7: Crystal Structure of An Abc Transporter Solute Binding Protein (IPR025997) From Bacillus Halodurans C-125 (BH2323, Target Efi- 511484) with Bound Myo-Inositol

The structure of Crystal Structure of An Abc Transporter Solute Binding Protein (IPR025997) From Bacillus Halodurans C-125 (BH2323, Target Efi- 511484) with Bound Myo-Inositol, PDB code: 4yo7 was solved by U.Yadava, M.W.Vetting, N.F.Al Obaidi, R.Toro, L.L.Morisco, J.Benach, J.Koss, S.R.Wasserman, J.D.Attonito, A.Scott Glenn, S.Chamala, S.Chowdhury, J.Lafleur, J.Love, R.D.Seidel, K.L.Whalen, 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)	24.54 / 1.70
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	68.155, 79.845, 118.337, 90.00, 90.00, 90.00
R / Rfree (%)	13.9 / 16.9

The structure of Crystal Structure of An Abc Transporter Solute Binding Protein (IPR025997) From Bacillus Halodurans C-125 (BH2323, Target Efi- 511484) with Bound Myo-Inositol also contains other interesting chemical elements:

Chlorine	(Cl)	1 atom
Sodium	(Na)	1 atom

The binding sites of Magnesium atom in the Crystal Structure of An Abc Transporter Solute Binding Protein (IPR025997) From Bacillus Halodurans C-125 (BH2323, Target Efi- 511484) with Bound Myo-Inositol (pdb code 4yo7). 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 Abc Transporter Solute Binding Protein (IPR025997) From Bacillus Halodurans C-125 (BH2323, Target Efi- 511484) with Bound Myo-Inositol, PDB code: 4yo7:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of An Abc Transporter Solute Binding Protein (IPR025997) From Bacillus Halodurans C-125 (BH2323, Target Efi- 511484) with Bound Myo-Inositol


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 Abc Transporter Solute Binding Protein (IPR025997) From Bacillus Halodurans C-125 (BH2323, Target Efi- 511484) with Bound Myo-Inositol within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:19.6 occ:1.00 O A:HOH568 2.1 20.6 1.0 O A:GLY38 2.1 19.1 1.0 O A:HOH559 2.1 23.7 1.0 C A:GLY38 3.2 15.6 1.0 HA3 A:GLY38 3.6 35.8 1.0 HB3 A:ASP39 3.7 24.3 1.0 CA A:GLY38 3.8 29.8 1.0 HA2 A:GLY38 3.9 35.8 1.0 HA A:ASP39 4.2 24.3 1.0 N A:ASP39 4.3 19.1 1.0 O A:HOH520 4.3 34.5 1.0 CB A:ASP39 4.5 20.3 1.0 CA A:ASP39 4.5 20.2 1.0 HB2 A:ASP39 4.9 24.3 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure of An Abc Transporter Solute Binding Protein (IPR025997) From Bacillus Halodurans C-125 (BH2323, Target Efi- 511484) with Bound Myo-Inositol


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 Abc Transporter Solute Binding Protein (IPR025997) From Bacillus Halodurans C-125 (BH2323, Target Efi- 511484) with Bound Myo-Inositol within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:37.9 occ:1.00 O A:HOH790 2.1 48.3 1.0 O A:HOH730 2.1 46.8 1.0 O A:HOH743 2.1 48.3 1.0 O A:LEU250 2.2 27.7 1.0 O A:VAL253 2.3 24.8 1.0 HG A:LEU250 3.4 32.1 1.0 HA A:ASP251 3.4 38.1 1.0 C A:LEU250 3.4 30.5 1.0 H A:VAL253 3.4 25.4 1.0 C A:VAL253 3.5 19.9 1.0 HD12 A:LEU250 3.6 29.8 1.0 OD2 A:ASP274 3.7 22.9 1.0 HA A:ILE254 3.7 22.6 1.0 HG23 A:VAL255 3.9 21.1 1.0 HD11 A:LEU250 4.0 29.8 1.0 CA A:ASP251 4.1 31.7 1.0 CD1 A:LEU250 4.1 24.8 1.0 N A:VAL253 4.1 21.2 1.0 CG A:LEU250 4.1 26.8 1.0 N A:ASP251 4.2 31.2 1.0 C A:ASP251 4.3 33.4 1.0 N A:ILE254 4.3 15.3 1.0 HA A:LEU250 4.3 28.9 1.0 H A:VAL255 4.3 16.3 1.0 CA A:VAL253 4.4 21.1 1.0 CA A:ILE254 4.4 18.9 1.0 CA A:LEU250 4.4 24.0 1.0 OD1 A:ASP274 4.5 27.0 1.0 CG A:ASP274 4.5 24.2 1.0 O A:ASP251 4.5 37.9 1.0 O A:LYS272 4.6 18.1 1.0 HB A:VAL253 4.6 26.0 1.0 N A:ASP252 4.7 26.5 1.0 N A:VAL255 4.8 13.6 1.0 CG2 A:VAL255 4.8 17.6 1.0 CB A:LEU250 4.8 25.9 1.0 H A:ASP252 4.9 31.8 1.0 C A:ILE254 4.9 18.6 1.0 HG21 A:VAL255 5.0 21.1 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of An Abc Transporter Solute Binding Protein (IPR025997) From Bacillus Halodurans C-125 (BH2323, Target Efi- 511484) with Bound Myo-Inositol


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 Abc Transporter Solute Binding Protein (IPR025997) From Bacillus Halodurans C-125 (BH2323, Target Efi- 511484) with Bound Myo-Inositol within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg403 b:19.9 occ:0.50 O A:HOH586 2.0 52.1 1.0 O A:HOH522 2.1 24.5 1.0 O A:HOH572 2.1 49.7 0.5 O A:HOH532 2.1 25.4 1.0 O A:HOH544 3.8 24.5 1.0 O A:THR140 4.0 8.4 1.0 O A:ALA139 4.2 10.9 1.0 O A:HOH638 4.4 14.7 1.0 O A:ASP137 4.4 10.2 1.0 HA A:ALA141 4.4 10.7 1.0 O A:HOH545 4.4 31.8 1.0 OD1 A:ASP303 4.5 13.5 1.0 HA A:ASP137 4.5 9.6 1.0 O A:HOH588 4.7 26.5 0.5 C A:THR140 4.7 8.3 1.0 HB2 A:ASP137 4.8 13.3 1.0 HA A:THR140 4.9 9.4 1.0

U.Yadava, M.W.Vetting, N.F.Al Obaidi, R.Toro, L.L.Morisco, J.Benach, J.Koss, S.R.Wasserman, J.D.Attonito, A.Scott Glenn, S.Chamala, S.Chowdhury, J.Lafleur, J.Love, R.D.Seidel, K.L.Whalen, J.A.Gerlt, S.C.Almo, Enzyme Function Initiative (Efi). Crystal Structure of An Abc Transporter Solute Binding Protein (IPR025997) From Bacillus Halodurans C-125 (BH2323, Target Efi-511484) with Bound Myo-Inositol To Be Published.