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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

Protein crystallography data

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

Other elements in 4wut:

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

Calcium Binding Sites:

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 4wut

Go back to Calcium Binding Sites List in 4wut
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 4wut

Go back to Calcium Binding Sites List in 4wut
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

Reference:

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.
Page generated: Sat Dec 12 05:11:20 2020

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