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Chlorine in PDB 6slr: Structure of Saposin B in Complex with Atovaquone

Protein crystallography data

The structure of Structure of Saposin B in Complex with Atovaquone, PDB code: 6slr was solved by C.Zubieta, B.Milliken, R.Doyle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.62 / 2.38
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 75.707, 75.707, 95.475, 90.00, 90.00, 120.00
R / Rfree (%) 23.3 / 27.8

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of Saposin B in Complex with Atovaquone (pdb code 6slr). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Structure of Saposin B in Complex with Atovaquone, PDB code: 6slr:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 6slr

Go back to Chlorine Binding Sites List in 6slr
Chlorine binding site 1 out of 3 in the Structure of Saposin B in Complex with Atovaquone


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Saposin B in Complex with Atovaquone within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl203

b:71.4
occ:0.50
CL B:AOQ203 0.0 71.4 0.5
C20 B:AOQ203 1.7 58.4 0.5
C21 B:AOQ203 2.7 58.3 0.5
C19 B:AOQ203 2.7 60.1 0.5
C22 B:AOQ203 4.0 57.4 0.5
C18 B:AOQ203 4.0 58.1 0.5
CG B:MET61 4.0 92.5 0.5
CE B:MET61 4.1 82.7 0.5
CD2 B:LEU73 4.2 76.8 1.0
CE B:MET61 4.3 0.4 0.5
C17 B:AOQ203 4.5 55.0 0.5
SD B:MET61 4.7 88.4 0.5
SD B:MET65 4.9 68.6 1.0

Chlorine binding site 2 out of 3 in 6slr

Go back to Chlorine Binding Sites List in 6slr
Chlorine binding site 2 out of 3 in the Structure of Saposin B in Complex with Atovaquone


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Saposin B in Complex with Atovaquone within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl201

b:84.3
occ:0.50
CL C:AOQ201 0.0 84.3 0.5
C20 C:AOQ201 1.7 70.5 0.5
C19 C:AOQ201 2.7 72.7 0.5
C21 C:AOQ201 2.7 70.0 0.5
CE C:MET61 3.1 92.7 1.0
C18 C:AOQ201 4.0 71.4 0.5
C22 C:AOQ201 4.0 70.9 0.5
SD C:MET61 4.3 92.9 1.0
O C:HOH320 4.4 68.2 1.0
C17 C:AOQ201 4.5 70.0 0.5

Chlorine binding site 3 out of 3 in 6slr

Go back to Chlorine Binding Sites List in 6slr
Chlorine binding site 3 out of 3 in the Structure of Saposin B in Complex with Atovaquone


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Saposin B in Complex with Atovaquone within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl201

b:84.3
occ:0.50
CL C:AOQ201 0.0 84.3 0.5
C20 C:AOQ201 1.7 70.5 0.5
C21 C:AOQ201 2.7 70.0 0.5
C19 C:AOQ201 2.7 72.7 0.5
CB C:HIS64 3.8 74.0 1.0
C22 C:AOQ201 4.0 70.9 0.5
C18 C:AOQ201 4.0 71.4 0.5
O C:HIS64 4.4 69.0 1.0
C17 C:AOQ201 4.5 70.0 0.5
CG C:HIS64 4.6 77.4 1.0
C C:HIS64 4.8 69.6 1.0
CA C:HIS64 4.9 70.4 1.0

Reference:

C.Zubieta, B.Milliken, R.Doyle. Structure of Saposin B in Complex with Atovaquone To Be Published.
Page generated: Mon Jul 29 15:01:56 2024

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