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Chlorine in PDB 4jhx: Crystal Structure of Anabolic Ornithine Carbamoyltransferase From Vibrio Vulnificus in Complex with Carbamoylphosphate and Arginine

Enzymatic activity of Crystal Structure of Anabolic Ornithine Carbamoyltransferase From Vibrio Vulnificus in Complex with Carbamoylphosphate and Arginine

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

Protein crystallography data

The structure of Crystal Structure of Anabolic Ornithine Carbamoyltransferase From Vibrio Vulnificus in Complex with Carbamoylphosphate and Arginine, PDB code: 4jhx was solved by I.G.Shabalin, P.Bacal, J.Winsor, S.Grimshaw, M.Grabowski, M.D.Chordia, L.Shuvalova, W.F.Anderson, W.Minor, 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) 36.61 / 1.85
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 76.029, 79.387, 147.169, 90.00, 90.00, 90.00
R / Rfree (%) 15.4 / 19

Chlorine Binding Sites:

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

Chlorine binding site 1 out of 4 in 4jhx

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Chlorine binding site 1 out of 4 in the Crystal Structure of Anabolic Ornithine Carbamoyltransferase From Vibrio Vulnificus in Complex with Carbamoylphosphate and Arginine


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 Carbamoylphosphate and Arginine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl402

b:22.2
occ:1.00
 OG A:SER173 2.9 20.2 1.0
O A:HOH530 3.1 19.6 1.0
N A:LEU13 3.1 20.0 1.0
CB A:SER173 3.6 18.8 1.0
CD1 A:PHE134 3.7 17.9 1.0
CG A:LEU13 3.7 21.2 1.0
CB A:PRO136 3.7 18.8 1.0
CB A:PHE134 3.8 17.5 1.0
CB A:LEU13 3.8 20.0 1.0
CA A:LYS12 3.8 18.6 1.0
CG A:PHE134 3.9 18.2 1.0
CA A:PRO136 3.9 19.3 1.0
C A:LYS12 4.0 20.3 1.0
CA A:SER173 4.0 18.3 1.0
CD1 A:LEU13 4.0 24.0 1.0
CA A:LEU13 4.0 20.0 1.0
CB A:LYS12 4.2 21.3 1.0
N A:PRO136 4.2 18.9 1.0
CD A:PRO136 4.2 19.0 1.0
CG A:PRO136 4.3 20.6 1.0
CE1 A:PHE134 4.5 19.9 1.0
N A:HIS135 4.6 17.0 1.0
CA A:PHE134 4.7 16.7 1.0
C A:HIS135 4.8 18.6 1.0
CD2 A:PHE134 4.9 19.6 1.0
N A:LEU14 4.9 21.4 1.0
O A:SER173 4.9 20.5 1.0
N A:SER173 4.9 18.4 1.0
C A:SER173 4.9 19.2 1.0
C A:LEU13 5.0 20.4 1.0
CB A:VAL176 5.0 19.5 1.0

Chlorine binding site 2 out of 4 in 4jhx

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Chlorine binding site 2 out of 4 in the Crystal Structure of Anabolic Ornithine Carbamoyltransferase From Vibrio Vulnificus in Complex with Carbamoylphosphate and Arginine


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 Carbamoylphosphate and Arginine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl401

b:29.1
occ:1.00
 OG B:SER173 3.0 29.2 1.0
O B:HOH520 3.0 30.7 1.0
N B:LEU13 3.2 28.9 1.0
CD1 B:PHE134 3.6 30.3 1.0
CG B:LEU13 3.7 31.6 1.0
CB B:SER173 3.7 26.8 1.0
CB B:PHE134 3.7 28.4 1.0
CB B:PRO136 3.7 25.7 1.0
CB B:LEU13 3.7 30.1 1.0
CG B:PHE134 3.8 29.8 1.0
CA B:PRO136 3.9 26.0 1.0
CD1 B:LEU13 3.9 33.2 1.0
CA B:LYS12 3.9 28.2 1.0
C B:LYS12 4.0 28.9 1.0
N B:PRO136 4.0 24.8 1.0
CA B:LEU13 4.1 29.2 1.0
CD B:PRO136 4.1 26.6 1.0
CA B:SER173 4.1 29.0 1.0
CB B:LYS12 4.2 30.0 1.0
CG B:PRO136 4.3 27.9 1.0
CE1 B:PHE134 4.5 35.7 1.0
N B:HIS135 4.5 25.9 1.0
C B:HIS135 4.6 26.4 1.0
CA B:PHE134 4.6 32.2 1.0
CD2 B:PHE134 4.8 30.0 1.0
N B:LEU14 4.9 31.6 1.0
O B:SER173 5.0 31.7 1.0
C B:PHE134 5.0 27.9 1.0

Chlorine binding site 3 out of 4 in 4jhx

Go back to Chlorine Binding Sites List in 4jhx
Chlorine binding site 3 out of 4 in the Crystal Structure of Anabolic Ornithine Carbamoyltransferase From Vibrio Vulnificus in Complex with Carbamoylphosphate and Arginine


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 Carbamoylphosphate and Arginine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl402

b:50.2
occ:1.00
 O B:HOH502 2.9 23.9 1.0
CB B:SER57 3.1 44.0 1.0
OG1 B:THR60 3.3 25.3 1.0
N B:THR60 3.4 26.2 1.0
O B:HOH647 3.4 39.0 1.0
CB B:ARG59 3.4 42.8 1.0
CA B:SER57 3.5 34.3 1.0
C B:SER57 3.6 31.3 1.0
O B:SER57 3.8 33.3 1.0
CB B:THR60 3.9 24.4 1.0
N B:ARG59 3.9 30.3 1.0
CA B:ARG59 4.1 32.2 1.0
N B:THR58 4.2 28.4 1.0
C B:ARG59 4.2 29.9 1.0
CA B:THR60 4.2 25.8 1.0
OG B:SER57 4.3 48.5 1.0
CG B:ARG59 4.6 56.6 1.0
C B:THR58 4.8 30.6 1.0
N B:SER57 4.9 33.5 1.0
CD B:ARG59 5.0 65.6 1.0
NH1 B:ARG320 5.0 26.8 1.0

Chlorine binding site 4 out of 4 in 4jhx

Go back to Chlorine Binding Sites List in 4jhx
Chlorine binding site 4 out of 4 in the Crystal Structure of Anabolic Ornithine Carbamoyltransferase From Vibrio Vulnificus in Complex with Carbamoylphosphate and Arginine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Anabolic Ornithine Carbamoyltransferase From Vibrio Vulnificus in Complex with Carbamoylphosphate and Arginine within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl401

b:25.6
occ:1.00
 OG C:SER173 3.0 23.0 1.0
N C:LEU13 3.1 23.8 1.0
O C:HOH579 3.3 24.9 1.0
CB C:PRO136 3.6 22.0 1.0
CG C:LEU13 3.6 27.8 1.0
CB C:SER173 3.7 23.9 1.0
CB C:PHE134 3.7 25.4 1.0
CB C:LEU13 3.7 26.3 1.0
CD1 C:PHE134 3.8 29.9 1.0
CA C:PRO136 3.8 21.6 1.0
CA C:LYS12 3.9 25.5 1.0
CD1 C:LEU13 3.9 28.3 1.0
CG C:PHE134 3.9 27.2 1.0
C C:LYS12 4.0 25.1 1.0
CA C:LEU13 4.0 25.3 1.0
N C:PRO136 4.0 20.8 1.0
CD C:PRO136 4.0 21.3 1.0
CA C:SER173 4.2 23.3 1.0
CB C:LYS12 4.2 25.4 1.0
CG C:PRO136 4.2 22.5 1.0
N C:HIS135 4.5 23.5 1.0
C C:HIS135 4.6 22.5 1.0
CA C:PHE134 4.6 26.1 1.0
CE1 C:PHE134 4.6 28.1 1.0
CD2 C:PHE134 4.9 29.9 1.0
C C:PHE134 4.9 23.8 1.0
N C:LEU14 4.9 27.4 1.0
CD2 C:LEU13 5.0 28.4 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: Sun Jul 21 17:27:29 2024

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