Calcium in PDB 4wut: Crystal Structure of An Abc Transporter Solute Binding Protein (IPR025997) From Agrobacterium Vitis (AVI_5133, Target Efi-511220) with Bound D-Fucose

The structure of Crystal Structure of An Abc Transporter Solute Binding Protein (IPR025997) From Agrobacterium Vitis (AVI_5133, Target Efi-511220) with Bound D-Fucose, PDB code: 4wut was solved by M.W.Vetting, N.F.Al Obaidi, R.Toro, L.L.Morisco, J.Benach, 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)	26.93 / 1.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.188, 69.367, 92.434, 90.00, 90.00, 90.00
R / Rfree (%)	18.4 / 20.7

The structure of Crystal Structure of An Abc Transporter Solute Binding Protein (IPR025997) From Agrobacterium Vitis (AVI_5133, Target Efi-511220) with Bound D-Fucose also contains other interesting chemical elements:

Chlorine

(Cl)

3 atoms

The binding sites of Calcium atom in the Crystal Structure of An Abc Transporter Solute Binding Protein (IPR025997) From Agrobacterium Vitis (AVI_5133, Target Efi-511220) with Bound D-Fucose (pdb code 4wut). 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 An Abc Transporter Solute Binding Protein (IPR025997) From Agrobacterium Vitis (AVI_5133, Target Efi-511220) with Bound D-Fucose, PDB code: 4wut:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of An Abc Transporter Solute Binding Protein (IPR025997) From Agrobacterium Vitis (AVI_5133, Target Efi-511220) with Bound D-Fucose


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 An Abc Transporter Solute Binding Protein (IPR025997) From Agrobacterium Vitis (AVI_5133, Target Efi-511220) with Bound D-Fucose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca405 b:10.6 occ:1.00 OD1 A:ASP204 2.4 10.9 1.0 OD1 A:ASN200 2.4 12.8 1.0 O A:HOH556 2.5 15.0 1.0 OD2 A:ASP204 2.5 10.9 1.0 CG A:ASP204 2.8 11.4 1.0 HD22 A:ASN200 3.3 17.6 1.0 CG A:ASN200 3.4 10.9 1.0 ND2 A:ASN200 3.7 14.7 1.0 O A:HOH532 4.2 14.0 1.0 O A:HOH566 4.2 32.0 1.0 CB A:ASP204 4.3 8.2 1.0 O A:ASN200 4.4 8.6 1.0 HD21 A:ASN200 4.6 17.6 1.0 O A:HOH581 4.7 22.4 1.0 HB2 A:ASP204 4.7 9.8 1.0 HB3 A:ASP204 4.7 9.8 1.0 HA A:ASN200 4.7 10.6 1.0 O A:HOH511 4.8 14.7 1.0 CB A:ASN200 4.8 10.6 1.0 HA A:ASP204 4.9 10.3 1.0 HB A:THR203 4.9 15.1 1.0 HG22 A:THR203 5.0 13.4 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of An Abc Transporter Solute Binding Protein (IPR025997) From Agrobacterium Vitis (AVI_5133, Target Efi-511220) with Bound D-Fucose


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 An Abc Transporter Solute Binding Protein (IPR025997) From Agrobacterium Vitis (AVI_5133, Target Efi-511220) with Bound D-Fucose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca406 b:20.9 occ:1.00 O A:HOH589 2.3 34.0 1.0 O A:LYS178 2.3 17.3 1.0 O A:HOH562 2.4 21.4 1.0 O A:HOH567 2.4 26.8 1.0 O A:SER181 2.5 17.0 1.0 C A:LYS178 3.5 15.1 1.0 H A:SER181 3.7 16.2 1.0 HA A:LYS182 3.7 20.0 1.0 C A:SER181 3.7 13.1 1.0 HG3 A:LYS178 3.7 30.4 1.0 HA A:LYS178 3.8 16.9 1.0 HA A:ALA179 4.2 20.9 1.0 O A:HOH644 4.2 20.7 1.0 CA A:LYS178 4.3 14.0 1.0 HG2 A:LYS178 4.4 30.4 1.0 N A:SER181 4.4 13.5 1.0 HB3 A:LYS182 4.4 30.2 1.0 CG A:LYS178 4.5 25.3 1.0 CA A:LYS182 4.5 16.6 1.0 N A:ALA179 4.5 15.9 1.0 N A:LYS182 4.5 14.2 1.0 C A:ALA179 4.6 20.0 1.0 CA A:ALA179 4.6 17.4 1.0 CA A:SER181 4.7 14.6 1.0 O A:ALA179 4.8 22.8 1.0 O A:ILE177 4.8 13.2 1.0 N A:ASN180 4.9 14.9 1.0 HG A:SER181 4.9 16.6 1.0 H A:ASN180 5.0 17.9 1.0

M.W.Vetting, N.F.Al Obaidi, R.Toro, L.L.Morisco, J.Benach, 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 Agrobacterium Vitis (AVI_5133, Target Efi-511220) with Bound D-Fucose To Be Published.