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Chlorine in PDB 4jqo: Crystal Structure of Anabolic Ornithine Carbamoyltransferase From Vibrio Vulnificus in Complex with Citrulline and Inorganic Phosphate

Enzymatic activity of Crystal Structure of Anabolic Ornithine Carbamoyltransferase From Vibrio Vulnificus in Complex with Citrulline and Inorganic Phosphate

All present enzymatic activity of Crystal Structure of Anabolic Ornithine Carbamoyltransferase From Vibrio Vulnificus in Complex with Citrulline and Inorganic Phosphate:
2.1.3.3;

Protein crystallography data

The structure of Crystal Structure of Anabolic Ornithine Carbamoyltransferase From Vibrio Vulnificus in Complex with Citrulline and Inorganic Phosphate, PDB code: 4jqo was solved by I.G.Shabalin, J.Winsor, S.Grimshaw, M.J.Domagalski, W.F.Anderson, W.Minor, 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) 36.04 / 2.08
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 81.418, 82.597, 171.968, 90.00, 90.00, 90.00
R / Rfree (%) 16.2 / 18.9

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Anabolic Ornithine Carbamoyltransferase From Vibrio Vulnificus in Complex with Citrulline and Inorganic Phosphate (pdb code 4jqo). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Anabolic Ornithine Carbamoyltransferase From Vibrio Vulnificus in Complex with Citrulline and Inorganic Phosphate, PDB code: 4jqo:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 4jqo

Go back to Chlorine Binding Sites List in 4jqo
Chlorine binding site 1 out of 3 in the Crystal Structure of Anabolic Ornithine Carbamoyltransferase From Vibrio Vulnificus in Complex with Citrulline and Inorganic Phosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Anabolic Ornithine Carbamoyltransferase From Vibrio Vulnificus in Complex with Citrulline and Inorganic Phosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl403

b:24.8
occ:1.00
OG A:SER173 2.9 20.0 1.0
O A:HOH510 3.0 22.8 1.0
N A:LEU13 3.2 22.2 1.0
CD1 A:PHE134 3.6 23.8 1.0
CG A:LEU13 3.7 22.5 1.0
CB A:PRO136 3.7 23.6 1.0
CB A:SER173 3.7 20.9 1.0
CB A:PHE134 3.7 21.9 1.0
CB A:LEU13 3.8 22.2 1.0
CG A:PHE134 3.9 22.5 1.0
CA A:LYS12 3.9 22.4 1.0
CA A:PRO136 3.9 23.0 1.0
C A:LYS12 4.0 22.7 1.0
CD1 A:LEU13 4.0 23.4 1.0
CA A:LEU13 4.1 22.3 1.0
CB A:LYS12 4.1 22.7 1.0
CA A:SER173 4.1 20.7 1.0
N A:PRO136 4.1 22.0 1.0
CD A:PRO136 4.2 22.9 1.0
CG A:PRO136 4.3 22.2 1.0
N A:HIS135 4.4 21.4 1.0
CE1 A:PHE134 4.5 24.6 1.0
CA A:PHE134 4.6 21.9 1.0
C A:HIS135 4.7 22.1 1.0
CD2 A:PHE134 4.8 24.0 1.0
C A:PHE134 4.9 21.7 1.0
N A:LEU14 5.0 24.5 1.0
O A:SER173 5.0 20.0 1.0
CD2 A:LEU13 5.0 22.1 1.0

Chlorine binding site 2 out of 3 in 4jqo

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Chlorine binding site 2 out of 3 in the Crystal Structure of Anabolic Ornithine Carbamoyltransferase From Vibrio Vulnificus in Complex with Citrulline and Inorganic Phosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Anabolic Ornithine Carbamoyltransferase From Vibrio Vulnificus in Complex with Citrulline and Inorganic Phosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl403

b:30.8
occ:1.00
OG B:SER173 2.9 29.8 1.0
O B:HOH522 3.1 25.9 1.0
N B:LEU13 3.2 27.9 1.0
CG B:LEU13 3.6 27.7 1.0
CB B:PRO136 3.7 25.8 1.0
CB B:PHE134 3.7 27.3 1.0
CB B:LEU13 3.7 28.6 1.0
CD1 B:PHE134 3.7 29.1 1.0
CB B:SER173 3.8 28.7 1.0
CG B:PHE134 3.9 28.1 1.0
CA B:PRO136 3.9 25.1 1.0
CA B:LYS12 3.9 27.5 1.0
CD1 B:LEU13 4.0 28.3 1.0
CA B:LEU13 4.1 27.8 1.0
C B:LYS12 4.1 28.0 1.0
N B:PRO136 4.1 25.2 1.0
CD B:PRO136 4.1 25.8 1.0
CB B:LYS12 4.1 28.3 1.0
CA B:SER173 4.2 28.2 1.0
CG B:PRO136 4.3 26.1 1.0
N B:HIS135 4.4 25.6 1.0
CE1 B:PHE134 4.6 29.4 1.0
C B:HIS135 4.6 25.5 1.0
CA B:PHE134 4.6 28.2 1.0
CD2 B:PHE134 4.8 29.6 1.0
C B:PHE134 4.9 28.2 1.0
CD2 B:LEU13 4.9 28.6 1.0
O B:SER173 5.0 26.9 1.0

Chlorine binding site 3 out of 3 in 4jqo

Go back to Chlorine Binding Sites List in 4jqo
Chlorine binding site 3 out of 3 in the Crystal Structure of Anabolic Ornithine Carbamoyltransferase From Vibrio Vulnificus in Complex with Citrulline and Inorganic Phosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Anabolic Ornithine Carbamoyltransferase From Vibrio Vulnificus in Complex with Citrulline and Inorganic Phosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl403

b:32.1
occ:1.00
OG C:SER173 2.9 27.4 1.0
N C:LEU13 3.1 30.7 1.0
O C:HOH554 3.2 35.2 1.0
CG C:LEU13 3.6 31.2 1.0
CB C:LEU13 3.7 30.5 1.0
CB C:SER173 3.7 31.4 1.0
CD1 C:PHE134 3.7 36.6 1.0
CB C:PRO136 3.7 29.9 1.0
CB C:PHE134 3.7 32.8 1.0
CG C:PHE134 3.9 36.4 1.0
CA C:PRO136 3.9 28.9 1.0
CA C:LYS12 3.9 33.6 1.0
CD1 C:LEU13 4.0 31.6 1.0
CA C:LEU13 4.0 31.3 1.0
C C:LYS12 4.0 33.3 1.0
CA C:SER173 4.1 33.4 1.0
N C:PRO136 4.1 29.7 1.0
CD C:PRO136 4.2 28.9 1.0
CB C:LYS12 4.2 36.9 1.0
CG C:PRO136 4.4 28.6 1.0
N C:HIS135 4.4 29.8 1.0
CE1 C:PHE134 4.5 38.8 1.0
C C:HIS135 4.6 28.6 1.0
CA C:PHE134 4.7 32.2 1.0
CD2 C:PHE134 4.8 38.9 1.0
CD2 C:LEU13 4.9 30.9 1.0
C C:PHE134 4.9 30.6 1.0
O C:SER173 4.9 30.3 1.0
N C:LEU14 5.0 33.4 1.0

Reference:

I.G.Shabalin, J.Winsor, S.Grimshaw, W.Minor. Crystal Structures and Kinetic Properties of Anabolic Ornithine Carbamoyltransferase From Human Pathogens Vibrio Vulnificus and Bacillus Anthracis To Be Published.
Page generated: Sat Dec 12 10:48:39 2020

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