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Chlorine in PDB 4nml: 2.60 Angstrom Resolution Crystal Structure of Putative Ribose 5- Phosphate Isomerase From Toxoplasma Gondii ME49 in Complex with Dl- Malic Acid

Enzymatic activity of 2.60 Angstrom Resolution Crystal Structure of Putative Ribose 5- Phosphate Isomerase From Toxoplasma Gondii ME49 in Complex with Dl- Malic Acid

All present enzymatic activity of 2.60 Angstrom Resolution Crystal Structure of Putative Ribose 5- Phosphate Isomerase From Toxoplasma Gondii ME49 in Complex with Dl- Malic Acid:
5.3.1.6;

Protein crystallography data

The structure of 2.60 Angstrom Resolution Crystal Structure of Putative Ribose 5- Phosphate Isomerase From Toxoplasma Gondii ME49 in Complex with Dl- Malic Acid, PDB code: 4nml was solved by A.S.Halavaty, I.Dubrovska, K.Flores, D.Shanmugam, L.Shuvalova, D.Roos, J.Ruan, H.Ngo, W.F.Anderson, Center For Structural Genomics Ofinfectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.53 / 2.60
Space group P 41 2 2
Cell size a, b, c (Å), α, β, γ (°) 95.590, 95.590, 112.694, 90.00, 90.00, 90.00
R / Rfree (%) 16.4 / 20.5

Chlorine Binding Sites:

The binding sites of Chlorine atom in the 2.60 Angstrom Resolution Crystal Structure of Putative Ribose 5- Phosphate Isomerase From Toxoplasma Gondii ME49 in Complex with Dl- Malic Acid (pdb code 4nml). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the 2.60 Angstrom Resolution Crystal Structure of Putative Ribose 5- Phosphate Isomerase From Toxoplasma Gondii ME49 in Complex with Dl- Malic Acid, PDB code: 4nml:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 4nml

Go back to Chlorine Binding Sites List in 4nml
Chlorine binding site 1 out of 2 in the 2.60 Angstrom Resolution Crystal Structure of Putative Ribose 5- Phosphate Isomerase From Toxoplasma Gondii ME49 in Complex with Dl- Malic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 2.60 Angstrom Resolution Crystal Structure of Putative Ribose 5- Phosphate Isomerase From Toxoplasma Gondii ME49 in Complex with Dl- Malic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:48.7
occ:1.00
 O A:HOH415 3.1 41.9 1.0
OE1 A:GLU111 3.2 45.6 1.0
O A:HOH433 3.3 55.1 1.0
N A:GLY105 3.3 45.7 1.0
N A:ALA107 3.3 38.4 1.0
OE2 A:GLU111 3.5 42.3 1.0
N A:GLY106 3.5 43.2 1.0
CA A:GLY105 3.6 42.3 1.0
C A:GLY105 3.6 45.6 1.0
CA A:GLY103 3.6 37.4 1.0
CD A:GLU111 3.7 40.3 1.0
C A:GLY103 3.7 38.7 1.0
N A:GLY103 3.8 35.2 1.0
CB A:ALA107 3.8 38.4 1.0
CA A:ALA107 3.9 36.9 1.0
N A:ARG104 4.1 39.4 1.0
O A:GLY103 4.1 42.5 1.0
O A:GLY105 4.2 46.8 1.0
C A:ALA107 4.2 36.5 1.0
N A:LEU108 4.3 37.1 1.0
C A:GLY106 4.3 42.0 1.0
CA A:GLY106 4.4 43.7 1.0
C A:ARG104 4.5 42.4 1.0
CG2 A:THR30 4.6 44.0 1.0
O A:THR30 4.8 48.8 1.0
NZ A:LYS102 4.8 46.4 1.0
CB A:THR30 4.8 43.5 1.0
CA A:ARG104 4.9 41.0 1.0
O A:ALA107 4.9 34.7 1.0
O A:HOH456 5.0 72.9 1.0

Chlorine binding site 2 out of 2 in 4nml

Go back to Chlorine Binding Sites List in 4nml
Chlorine binding site 2 out of 2 in the 2.60 Angstrom Resolution Crystal Structure of Putative Ribose 5- Phosphate Isomerase From Toxoplasma Gondii ME49 in Complex with Dl- Malic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 2.60 Angstrom Resolution Crystal Structure of Putative Ribose 5- Phosphate Isomerase From Toxoplasma Gondii ME49 in Complex with Dl- Malic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:56.8
occ:1.00
 N A:PHE172 3.2 49.5 1.0
NZ A:LYS154 3.4 66.4 1.0
N A:ILE190 3.4 62.9 1.0
CA A:ASP189 3.7 75.7 1.0
CD2 A:PHE172 3.8 51.5 1.0
CA A:GLU171 3.8 57.3 1.0
C A:ASP189 4.0 69.2 1.0
CB A:PHE172 4.0 50.9 1.0
C A:GLU171 4.0 52.7 1.0
CG2 A:ILE190 4.0 61.2 1.0
O A:GLU188 4.1 96.6 1.0
CG1 A:ILE190 4.1 56.8 1.0
CA A:PHE172 4.2 47.7 1.0
CG A:PHE172 4.3 49.5 1.0
CB A:ILE190 4.4 61.1 1.0
CB A:GLU171 4.4 61.4 1.0
CA A:ILE190 4.4 62.6 1.0
CG A:GLU171 4.5 69.7 1.0
CB A:ASP189 4.5 79.5 1.0
CE A:LYS154 4.6 59.8 1.0
CD A:LYS154 4.6 55.4 1.0
N A:ASP189 4.7 83.4 1.0
O A:PHE172 4.8 48.9 1.0
CE2 A:PHE172 4.8 54.9 1.0
C A:GLU188 4.8 96.8 1.0
OD1 A:ASP189 4.9 84.3 1.0
CD1 A:ILE190 5.0 57.4 1.0
C A:PHE172 5.0 46.5 1.0

Reference:

A.S.Halavaty, I.Dubrovska, K.Flores, D.Shanmugam, L.Shuvalova, D.Roos, J.Ruan, H.Ngo, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid). 2.60 Angstrom Resolution Crystal Structure of Putative Ribose 5-Phosphate Isomerase From Toxoplasma Gondii ME49 in Complex with Dl-Malic Acid To Be Published.
Page generated: Sat Dec 12 10:58:54 2020

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