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Chlorine in PDB 4nu7: 2.05 Angstrom Crystal Structure of Ribulose-Phosphate 3-Epimerase From Toxoplasma Gondii.

Enzymatic activity of 2.05 Angstrom Crystal Structure of Ribulose-Phosphate 3-Epimerase From Toxoplasma Gondii.

All present enzymatic activity of 2.05 Angstrom Crystal Structure of Ribulose-Phosphate 3-Epimerase From Toxoplasma Gondii.:
5.1.3.1;

Protein crystallography data

The structure of 2.05 Angstrom Crystal Structure of Ribulose-Phosphate 3-Epimerase From Toxoplasma Gondii., PDB code: 4nu7 was solved by G.Minasov, J.Ruan, H.Ngo, L.Shuvalova, I.Dubrovska, K.Flores, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.88 / 2.05
Space group H 3 2
Cell size a, b, c (Å), α, β, γ (°) 138.510, 138.510, 349.329, 90.00, 90.00, 120.00
R / Rfree (%) 14.9 / 18.7

Other elements in 4nu7:

The structure of 2.05 Angstrom Crystal Structure of Ribulose-Phosphate 3-Epimerase From Toxoplasma Gondii. also contains other interesting chemical elements:

Zinc (Zn) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the 2.05 Angstrom Crystal Structure of Ribulose-Phosphate 3-Epimerase From Toxoplasma Gondii. (pdb code 4nu7). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the 2.05 Angstrom Crystal Structure of Ribulose-Phosphate 3-Epimerase From Toxoplasma Gondii., PDB code: 4nu7:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 4nu7

Go back to Chlorine Binding Sites List in 4nu7
Chlorine binding site 1 out of 5 in the 2.05 Angstrom Crystal Structure of Ribulose-Phosphate 3-Epimerase From Toxoplasma Gondii.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 2.05 Angstrom Crystal Structure of Ribulose-Phosphate 3-Epimerase From Toxoplasma Gondii. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:78.5
occ:1.00
 O C:HOH496 2.8 60.2 1.0
ND1 A:HIS44 3.3 34.9 1.0
O4 C:SO4304 4.1 53.9 0.5
CB A:HIS44 4.2 30.1 1.0
CG A:HIS44 4.2 30.0 1.0
CB D:PRO47 4.2 39.7 1.0
CE1 A:HIS44 4.3 33.1 1.0
CG D:PRO47 4.3 41.8 1.0
O C:HOH489 4.4 36.3 0.5
O D:HOH441 4.6 45.9 1.0
OE2 C:GLU76 4.6 49.7 1.0
O A:HOH448 4.7 43.3 1.0
CA A:HIS44 4.9 29.1 1.0
CD D:PRO47 5.0 39.5 1.0

Chlorine binding site 2 out of 5 in 4nu7

Go back to Chlorine Binding Sites List in 4nu7
Chlorine binding site 2 out of 5 in the 2.05 Angstrom Crystal Structure of Ribulose-Phosphate 3-Epimerase From Toxoplasma Gondii.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 2.05 Angstrom Crystal Structure of Ribulose-Phosphate 3-Epimerase From Toxoplasma Gondii. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:46.7
occ:0.50
 O1 A:SO4308 2.0 58.7 0.5
O4 A:SO4308 2.6 55.9 0.5
S A:SO4308 2.8 61.4 0.5
NH2 A:ARG112 3.1 66.5 1.0
O A:HOH413 3.2 30.0 1.0
CD A:ARG112 3.3 51.1 1.0
O2 A:SO4308 3.5 54.4 0.5
CZ A:ARG112 3.9 65.4 1.0
NE A:ARG112 4.0 57.7 1.0
NH2 A:ARG116 4.0 37.6 0.6
O3 A:SO4308 4.1 52.8 0.5
CB A:GLN82 4.1 36.5 1.0
CG A:ARG112 4.3 42.7 1.0
N A:GLN82 4.3 28.9 1.0
CB A:ILE81 4.4 25.8 1.0
NE A:ARG116 4.5 34.3 0.6
O A:GLU78 4.6 30.3 1.0
CZ A:ARG116 4.7 35.1 0.6
CG2 A:ILE81 4.7 26.3 1.0
CA A:GLN82 4.7 30.1 1.0
O A:HOH430 4.7 47.9 1.0

Chlorine binding site 3 out of 5 in 4nu7

Go back to Chlorine Binding Sites List in 4nu7
Chlorine binding site 3 out of 5 in the 2.05 Angstrom Crystal Structure of Ribulose-Phosphate 3-Epimerase From Toxoplasma Gondii.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 2.05 Angstrom Crystal Structure of Ribulose-Phosphate 3-Epimerase From Toxoplasma Gondii. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl301

b:78.5
occ:1.00
 OE2 B:GLU188 2.5 85.6 1.0
CD B:GLU188 3.6 80.0 1.0
CA B:GLY187 3.8 33.2 1.0
O B:HOH426 4.0 36.6 1.0
C B:GLY187 4.2 35.8 1.0
OE1 B:GLU188 4.2 95.7 1.0
CG B:GLU188 4.5 64.3 1.0
N B:GLY187 4.6 31.6 1.0
O B:GLY187 4.6 37.0 1.0
N B:GLU188 4.6 36.7 1.0

Chlorine binding site 4 out of 5 in 4nu7

Go back to Chlorine Binding Sites List in 4nu7
Chlorine binding site 4 out of 5 in the 2.05 Angstrom Crystal Structure of Ribulose-Phosphate 3-Epimerase From Toxoplasma Gondii.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of 2.05 Angstrom Crystal Structure of Ribulose-Phosphate 3-Epimerase From Toxoplasma Gondii. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl302

b:66.2
occ:1.00
 NH1 B:ARG116 3.2 62.2 1.0
CG B:ARG116 3.5 54.1 1.0
CD B:ARG116 3.5 57.8 1.0
CB B:ARG116 3.7 49.4 1.0
CB B:ALA85 3.7 39.4 1.0
CZ B:ARG116 4.1 62.1 1.0
NE B:ARG116 4.3 64.4 1.0
NE C:ARG112 4.3 61.2 1.0
CD C:ARG112 4.3 59.9 1.0
O B:ARG116 4.6 45.9 1.0
CA B:ARG116 4.6 47.1 1.0
O C:HOH447 4.6 49.5 1.0
C B:ALA85 4.8 39.7 1.0
CA B:ALA85 4.8 38.8 1.0
CZ C:ARG112 4.9 60.5 1.0

Chlorine binding site 5 out of 5 in 4nu7

Go back to Chlorine Binding Sites List in 4nu7
Chlorine binding site 5 out of 5 in the 2.05 Angstrom Crystal Structure of Ribulose-Phosphate 3-Epimerase From Toxoplasma Gondii.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of 2.05 Angstrom Crystal Structure of Ribulose-Phosphate 3-Epimerase From Toxoplasma Gondii. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl301

b:63.6
occ:1.00
 OG1 C:THR218 3.4 31.4 1.0
NH1 C:ARG221 3.4 34.7 1.0
CG2 C:THR218 3.8 32.1 1.0
CD C:ARG221 3.9 36.1 1.0
CB C:THR218 4.0 29.7 1.0
CA C:THR218 4.3 29.4 1.0
CZ C:ARG221 4.3 36.2 1.0
NE C:ARG221 4.4 37.1 1.0
O C:HOH419 4.9 32.4 1.0
O C:HOH497 4.9 56.4 1.0
CG C:ARG221 4.9 33.9 1.0

Reference:

G.Minasov, J.Ruan, H.Ngo, L.Shuvalova, I.Dubrovska, K.Flores, D.Shanmugam, D.Roos, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid). 2.05 Angstrom Crystal Structure of Ribulose-Phosphate 3-Epimerase From Toxoplasma Gondii. To Be Published.
Page generated: Thu Jul 25 23:01:57 2024

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