Calcium in PDB 4hoj: Crystal Structure of Glutathione Transferase Homolog From Neisseria Gonorrhoeae, Target Efi-501841, with Bound Glutathione

The structure of Crystal Structure of Glutathione Transferase Homolog From Neisseria Gonorrhoeae, Target Efi-501841, with Bound Glutathione, PDB code: 4hoj was solved by M.W.Vetting, R.Toro, R.Bhosle, N.F.Al Obaidi, L.L.Morisco, S.R.Wasserman, S.Sojitra, E.Washington, A.Scott Glenn, S.Chowdhury, B.Evans, J.Hammonds, B.Hillerich, J.Love, R.D.Seidel, H.J.Imker, R.N.Armstrong, 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)	41.70 / 1.40
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	49.876, 49.876, 160.236, 90.00, 90.00, 120.00
R / Rfree (%)	17.6 / 20.7

The binding sites of Calcium atom in the Crystal Structure of Glutathione Transferase Homolog From Neisseria Gonorrhoeae, Target Efi-501841, with Bound Glutathione (pdb code 4hoj). 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 Glutathione Transferase Homolog From Neisseria Gonorrhoeae, Target Efi-501841, with Bound Glutathione, PDB code: 4hoj:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Glutathione Transferase Homolog From Neisseria Gonorrhoeae, Target Efi-501841, with Bound Glutathione


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 Glutathione Transferase Homolog From Neisseria Gonorrhoeae, Target Efi-501841, with Bound Glutathione within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:14.1 occ:1.00 OD1 A:ASP162 2.2 23.3 1.0 O A:ASP162 2.3 13.0 1.0 OD1 A:ASP165 2.4 15.5 1.0 O A:HOH454 2.4 27.4 1.0 O A:HOH636 2.6 30.2 0.5 C A:ASP162 3.3 11.3 1.0 CG A:ASP162 3.4 25.6 1.0 CG A:ASP165 3.6 17.2 1.0 O A:HOH466 3.6 29.3 1.0 CA A:ASP162 3.9 13.3 1.0 CA A:ASP165 4.2 12.5 1.0 CB A:ASP162 4.2 16.9 1.0 O A:HOH463 4.3 27.6 1.0 OD2 A:ASP162 4.3 29.4 1.0 N A:ASP165 4.3 11.7 1.0 N A:HIS163 4.4 10.4 1.0 OD2 A:ASP165 4.4 18.8 1.0 CB A:ASP165 4.5 15.2 1.0 O A:HOH448 4.6 20.7 1.0 CA A:HIS163 4.7 10.8 1.0 O A:HIS163 4.8 13.2 1.0 C A:HIS163 4.8 10.5 1.0 O A:HOH589 4.9 47.7 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Glutathione Transferase Homolog From Neisseria Gonorrhoeae, Target Efi-501841, with Bound Glutathione


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 Glutathione Transferase Homolog From Neisseria Gonorrhoeae, Target Efi-501841, with Bound Glutathione within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca304 b:61.1 occ:1.00 OE2 A:GLU180 2.4 42.5 1.0 O A:HOH491 2.5 42.0 1.0 O A:LEU176 2.9 20.4 1.0 O A:HOH639 3.0 33.8 1.0 CD A:GLU180 3.3 35.6 1.0 CG A:GLU180 3.5 28.2 1.0 C A:LEU176 3.7 21.7 1.0 CB A:LEU176 3.7 23.7 1.0 CA A:LEU176 3.7 20.9 1.0 CD2 A:LEU176 3.8 21.9 1.0 CB A:ALA179 3.9 15.5 1.0 NH2 A:ARG200 4.0 34.6 1.0 N A:GLU180 4.1 18.5 1.0 O A:HOH473 4.2 16.5 0.5 CG A:LEU176 4.3 22.9 1.0 CE2 A:PHE183 4.4 13.7 1.0 OE1 A:GLU180 4.5 33.4 1.0 CB A:GLU180 4.7 22.5 1.0 C A:ALA179 4.7 16.6 1.0 CA A:GLU180 4.8 19.3 1.0 CA A:ALA179 4.8 15.8 1.0 N A:LYS177 4.9 23.6 1.0 CD1 A:LEU176 5.0 31.1 1.0

M.W.Vetting, R.Toro, R.Bhosle, N.F.Al Obaidi, L.L.Morisco, S.R.Wasserman, S.Sojitra, E.Washington, A.Scott Glenn, S.Chowdhury, B.Evans, J.Hammonds, B.Hillerich, J.Love, R.D.Seidel, H.J.Imker, R.N.Armstrong, J.A.Gerlt, S.C.Almo. Crystal Structure of Glutathione Transferase Homolog From Neisseria Gonorrhoeae, Target Efi-501841, with Bound Glutathione To Be Published.