Calcium in PDB 4n17: Crystal Structure of A Trap Periplasmic Solute Binding Protein From Burkholderia Ambifaria (BAM_6123), Target Efi-510059, with Bound Beta-D-Galacturonate

The structure of Crystal Structure of A Trap Periplasmic Solute Binding Protein From Burkholderia Ambifaria (BAM_6123), Target Efi-510059, with Bound Beta-D-Galacturonate, PDB code: 4n17 was solved by M.W.Vetting, R.Toro, R.Bhosle, N.F.Al Obaidi, S.Zhao, M.Stead, J.D.Attonito, A.Scott Glenn, S.Chowdhury, B.Evans, B.Hillerich, J.Love, R.D.Seidel, H.J.Imker, M.P.Jacobson, J.A.Gerlt, S.C.Almo, Enzyme Functioninitiative (Efi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.41 / 1.50
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	96.152, 101.369, 55.720, 90.00, 90.00, 90.00
R / Rfree (%)	17 / 20.2

The structure of Crystal Structure of A Trap Periplasmic Solute Binding Protein From Burkholderia Ambifaria (BAM_6123), Target Efi-510059, with Bound Beta-D-Galacturonate also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Calcium atom in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Burkholderia Ambifaria (BAM_6123), Target Efi-510059, with Bound Beta-D-Galacturonate (pdb code 4n17). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Burkholderia Ambifaria (BAM_6123), Target Efi-510059, with Bound Beta-D-Galacturonate, PDB code: 4n17:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Burkholderia Ambifaria (BAM_6123), Target Efi-510059, with Bound Beta-D-Galacturonate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of A Trap Periplasmic Solute Binding Protein From Burkholderia Ambifaria (BAM_6123), Target Efi-510059, with Bound Beta-D-Galacturonate within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca403 b:20.9 occ:1.00 O A:HOH549 2.1 9.0 1.0 OD1 A:ASP322 2.1 13.8 1.0 O A:HOH539 2.2 17.1 1.0 O A:HOH553 2.2 15.6 1.0 CG A:ASP322 3.1 14.0 1.0 OD2 A:ASP322 3.3 14.0 1.0 HG3 A:LYS318 3.9 35.5 1.0 O A:HOH551 3.9 13.8 1.0 O A:HOH569 4.2 20.0 1.0 HA A:ASP322 4.3 15.9 1.0 HG12 A:VAL321 4.3 25.2 1.0 CB A:ASP322 4.4 13.3 1.0 O A:LYS318 4.5 16.4 1.0 OE2 A:GLU325 4.5 16.6 1.0 OE2 A:GLU312 4.6 28.1 1.0 HB A:VAL321 4.7 19.6 1.0 HG11 A:VAL321 4.7 25.2 1.0 H A:ASP322 4.7 16.3 1.0 CG A:LYS318 4.7 29.6 1.0 CA A:ASP322 4.8 13.2 1.0 HG2 A:LYS318 4.8 35.5 1.0 N A:ASP322 4.8 13.6 1.0 HB3 A:ASP322 4.9 16.0 1.0 CG1 A:VAL321 4.9 21.0 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Burkholderia Ambifaria (BAM_6123), Target Efi-510059, with Bound Beta-D-Galacturonate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of A Trap Periplasmic Solute Binding Protein From Burkholderia Ambifaria (BAM_6123), Target Efi-510059, with Bound Beta-D-Galacturonate within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca404 b:41.6 occ:1.00 O A:HOH824 2.2 25.1 1.0 O A:HOH675 2.2 27.8 1.0 O A:HOH825 2.3 29.6 1.0 O A:HOH709 2.3 31.5 1.0 O A:HOH826 2.5 36.8 1.0 HD3 A:LYS74 3.8 43.8 1.0 OD1 A:ASP78 4.0 30.3 1.0 OD2 A:ASP78 4.1 28.3 1.0 O A:HOH668 4.2 26.2 1.0 O A:HOH547 4.3 17.1 1.0 HG3 A:LYS74 4.3 22.7 1.0 HZ3 A:LYS74 4.4 58.3 1.0 HG2 A:LYS74 4.5 22.7 1.0 CG A:ASP78 4.5 26.7 1.0 CD A:LYS74 4.6 36.5 1.0 CG A:LYS74 4.7 18.9 1.0 O A:HOH640 4.8 22.4 1.0

M.W.Vetting, R.Toro, R.Bhosle, N.F.Al Obaidi, S.Zhao, M.Stead, J.D.Attonito, A.Scott Glenn, S.Chowdhury, B.Evans, B.Hillerich, J.Love, R.D.Seidel, H.J.Imker, M.P.Jacobson, J.A.Gerlt, S.C.Almo. Crystal Structure of A Trap Periplasmic Solute Binding Protein From Burkholderia Ambifaria (BAM_6123), Target Efi-510059, with Bound Beta-D-Galacturonate To Be Published.