Calcium in PDB 4yzz: Crystal Structure of A Trap Transporter Solute Binding Protein (IPR025997) From Bordetella Bronchiseptica RB50 (BB0280, Target Efi- 500035) Mixed Occupancy Dimer, Copurified Calcium and Picolinate Bound Active Site Versus Apo Site

The structure of Crystal Structure of A Trap Transporter Solute Binding Protein (IPR025997) From Bordetella Bronchiseptica RB50 (BB0280, Target Efi- 500035) Mixed Occupancy Dimer, Copurified Calcium and Picolinate Bound Active Site Versus Apo Site, PDB code: 4yzz was solved by 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, Enzymefunction Initiative (Efi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.20 / 1.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	64.249, 50.104, 96.556, 90.00, 104.47, 90.00
R / Rfree (%)	13.9 / 16.3

The binding sites of Calcium atom in the Crystal Structure of A Trap Transporter Solute Binding Protein (IPR025997) From Bordetella Bronchiseptica RB50 (BB0280, Target Efi- 500035) Mixed Occupancy Dimer, Copurified Calcium and Picolinate Bound Active Site Versus Apo Site (pdb code 4yzz). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Crystal Structure of A Trap Transporter Solute Binding Protein (IPR025997) From Bordetella Bronchiseptica RB50 (BB0280, Target Efi- 500035) Mixed Occupancy Dimer, Copurified Calcium and Picolinate Bound Active Site Versus Apo Site, PDB code: 4yzz:

Calcium binding site 1 out of 1 in the Crystal Structure of A Trap Transporter Solute Binding Protein (IPR025997) From Bordetella Bronchiseptica RB50 (BB0280, Target Efi- 500035) Mixed Occupancy Dimer, Copurified Calcium and Picolinate Bound Active Site Versus Apo Site


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 Transporter Solute Binding Protein (IPR025997) From Bordetella Bronchiseptica RB50 (BB0280, Target Efi- 500035) Mixed Occupancy Dimer, Copurified Calcium and Picolinate Bound Active Site Versus Apo Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:9.2 occ:1.00 OE1 A:GLN158 2.3 12.5 1.0 O A:TRP217 2.4 7.9 1.0 O1 A:6PC404 2.4 9.0 1.0 O A:HOH667 2.4 11.0 1.0 OE1 A:GLU216 2.4 8.6 1.0 OE2 A:GLU216 2.5 9.7 1.0 N2 A:6PC404 2.6 8.8 1.0 CD A:GLU216 2.8 9.0 1.0 C2 A:6PC404 3.3 8.8 1.0 C1 A:6PC404 3.4 10.8 1.0 CD A:GLN158 3.4 9.8 1.0 C3 A:6PC404 3.5 9.4 1.0 C A:TRP217 3.5 7.9 1.0 HH12 A:ARG179 3.7 9.7 1.0 HA A:TRP217 3.9 9.5 1.0 H A:GLY181 3.9 10.3 1.0 HE22 A:GLN158 3.9 12.7 1.0 HA A:ILE218 4.0 9.6 1.0 NE2 A:GLN158 4.1 10.6 1.0 HG12 A:ILE218 4.2 11.3 1.0 CA A:TRP217 4.2 7.9 1.0 NH1 A:ARG179 4.3 8.1 1.0 CG A:GLU216 4.4 7.8 1.0 O A:HOH605 4.4 7.6 1.0 HH11 A:ARG179 4.4 9.7 1.0 HD2 A:PHE241 4.4 11.3 1.0 HA3 A:GLY181 4.4 9.9 1.0 HG2 A:GLN158 4.4 9.6 1.0 O2 A:6PC404 4.5 9.9 1.0 CG A:GLN158 4.5 8.0 1.0 N A:ILE218 4.6 7.9 1.0 HG13 A:ILE218 4.6 11.3 1.0 O A:GLY181 4.6 9.7 1.0 N A:TRP217 4.6 7.8 1.0 N A:GLY181 4.6 8.6 1.0 HB3 A:GLN158 4.7 9.3 1.0 C6 A:6PC404 4.7 8.2 1.0 OE1 A:GLU242 4.8 11.7 1.0 HG3 A:GLU216 4.8 9.4 1.0 CA A:ILE218 4.8 8.0 1.0 HG2 A:GLU216 4.8 9.4 1.0 O A:GLU216 4.8 7.9 1.0 C A:GLU216 4.8 7.8 1.0 C4 A:6PC404 4.8 11.1 1.0 CG1 A:ILE218 4.8 9.4 1.0 HG13 A:ILE180 4.9 10.2 1.0 HB2 A:GLU216 4.9 10.4 1.0 CA A:GLY181 4.9 8.3 1.0 HE21 A:GLN158 4.9 12.7 1.0 HE3 A:TRP217 5.0 11.2 1.0

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 A Trap Transporter Solute Binding Protein (IPR025997) From Bordetella Bronchiseptica RB50 (BB0280, Target Efi-500035) Mixed Occupancy Dimer, Copurified Calcium and Picolinate Bound Active Site Versus Apo Site To Be Published.