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Chlorine in PDB 4kwt: Crystal Structure of Unliganded Anabolic Ornithine Carbamoyltransferase From Vibrio Vulnificus at 1.86 A Resolution

Enzymatic activity of Crystal Structure of Unliganded Anabolic Ornithine Carbamoyltransferase From Vibrio Vulnificus at 1.86 A Resolution

All present enzymatic activity of Crystal Structure of Unliganded Anabolic Ornithine Carbamoyltransferase From Vibrio Vulnificus at 1.86 A Resolution:
2.1.3.3;

Protein crystallography data

The structure of Crystal Structure of Unliganded Anabolic Ornithine Carbamoyltransferase From Vibrio Vulnificus at 1.86 A Resolution, PDB code: 4kwt was solved by I.G.Shabalin, P.Bacal, J.Bajor, J.Winsor, S.Grimshaw, 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) 35.50 / 1.86
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 77.810, 82.650, 150.908, 90.00, 90.00, 90.00
R / Rfree (%) 16 / 19.5

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Unliganded Anabolic Ornithine Carbamoyltransferase From Vibrio Vulnificus at 1.86 A Resolution (pdb code 4kwt). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of Unliganded Anabolic Ornithine Carbamoyltransferase From Vibrio Vulnificus at 1.86 A Resolution, PDB code: 4kwt:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 4kwt

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Chlorine binding site 1 out of 5 in the Crystal Structure of Unliganded Anabolic Ornithine Carbamoyltransferase From Vibrio Vulnificus at 1.86 A Resolution


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 Unliganded Anabolic Ornithine Carbamoyltransferase From Vibrio Vulnificus at 1.86 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:53.2
occ:1.00
 OG1 A:THR60 3.1 27.0 1.0
NE2 A:HIS135 3.3 31.0 1.0
NH1 A:ARG320 3.4 31.6 1.0
NH1 A:ARG108 3.4 48.2 1.0
OG A:SER57 3.6 40.2 1.0
NH2 A:ARG108 3.9 47.9 1.0
CE1 A:HIS135 4.0 32.9 1.0
CZ A:ARG108 4.1 48.0 1.0
CZ A:ARG320 4.3 29.6 1.0
CB A:THR60 4.4 28.1 1.0
NH2 A:ARG320 4.4 29.5 1.0
CD2 A:HIS135 4.4 31.9 1.0
CB A:ARG59 4.5 29.8 1.0
OE1 A:GLN138 4.5 31.3 1.0
O A:HOH531 4.5 28.9 0.5
N A:THR60 4.6 27.8 1.0
CB A:SER57 4.7 43.0 1.0

Chlorine binding site 2 out of 5 in 4kwt

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Chlorine binding site 2 out of 5 in the Crystal Structure of Unliganded Anabolic Ornithine Carbamoyltransferase From Vibrio Vulnificus at 1.86 A Resolution


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 Unliganded Anabolic Ornithine Carbamoyltransferase From Vibrio Vulnificus at 1.86 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl402

b:31.5
occ:1.00
 OG A:SER173 2.9 29.0 1.0
O A:HOH622 3.1 27.7 1.0
N A:LEU13 3.1 26.0 1.0
CB A:PRO136 3.5 24.4 1.0
CB A:SER173 3.6 29.2 1.0
CG A:LEU13 3.6 28.0 1.0
CB A:PHE134 3.7 31.5 1.0
CB A:LEU13 3.7 27.2 1.0
CD1 A:PHE134 3.8 29.4 1.0
CA A:PRO136 3.8 22.8 1.0
CA A:LYS12 3.9 28.9 1.0
CG A:PHE134 3.9 31.9 1.0
N A:PRO136 4.0 23.8 1.0
CD A:PRO136 4.0 24.4 1.0
CD1 A:LEU13 4.0 30.5 1.0
CA A:LEU13 4.0 26.5 1.0
C A:LYS12 4.0 31.7 1.0
CA A:SER173 4.1 29.6 1.0
CB A:LYS12 4.2 27.6 1.0
CG A:PRO136 4.3 23.8 1.0
N A:HIS135 4.4 28.8 1.0
C A:HIS135 4.5 26.2 1.0
CA A:PHE134 4.6 29.4 1.0
CE1 A:PHE134 4.6 31.4 1.0
C A:PHE134 4.9 27.9 1.0
CD2 A:PHE134 4.9 30.7 1.0
N A:LEU14 4.9 26.9 1.0
O A:HIS135 5.0 25.6 1.0

Chlorine binding site 3 out of 5 in 4kwt

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Chlorine binding site 3 out of 5 in the Crystal Structure of Unliganded Anabolic Ornithine Carbamoyltransferase From Vibrio Vulnificus at 1.86 A Resolution


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 Unliganded Anabolic Ornithine Carbamoyltransferase From Vibrio Vulnificus at 1.86 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl401

b:31.1
occ:1.00
 OG B:SER173 3.0 28.6 1.0
N B:LEU13 3.1 28.0 1.0
O B:HOH545 3.2 29.0 1.0
CB B:PRO136 3.6 23.6 1.0
CG B:LEU13 3.6 31.0 1.0
CB B:LEU13 3.6 30.1 1.0
CB B:SER173 3.7 29.2 1.0
CB B:PHE134 3.7 29.5 1.0
CD1 B:PHE134 3.7 33.8 1.0
CA B:PRO136 3.7 24.9 1.0
CG B:PHE134 3.9 30.4 1.0
CD1 B:LEU13 3.9 34.2 1.0
CA B:LYS12 4.0 26.8 1.0
CA B:LEU13 4.0 28.7 1.0
C B:LYS12 4.0 26.9 1.0
N B:PRO136 4.0 25.3 1.0
CD B:PRO136 4.1 24.6 1.0
CA B:SER173 4.1 29.5 1.0
CB B:LYS12 4.2 29.5 1.0
CG B:PRO136 4.3 25.1 1.0
N B:HIS135 4.5 29.4 1.0
C B:HIS135 4.7 25.7 1.0
CA B:PHE134 4.7 30.7 1.0
CE1 B:PHE134 4.7 33.4 1.0
CD2 B:PHE134 4.9 32.5 1.0
N B:LEU14 4.9 31.8 1.0
C B:PHE134 4.9 29.6 1.0
CD2 B:LEU13 5.0 29.2 1.0
C B:LEU13 5.0 30.6 1.0

Chlorine binding site 4 out of 5 in 4kwt

Go back to Chlorine Binding Sites List in 4kwt
Chlorine binding site 4 out of 5 in the Crystal Structure of Unliganded Anabolic Ornithine Carbamoyltransferase From Vibrio Vulnificus at 1.86 A Resolution


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 Unliganded Anabolic Ornithine Carbamoyltransferase From Vibrio Vulnificus at 1.86 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl401

b:54.6
occ:1.00
 O C:HOH536 2.8 43.9 1.0
OG1 C:THR60 3.2 30.9 1.0
NH1 C:ARG108 3.5 36.1 1.0
NE2 C:HIS135 3.6 24.5 1.0
OG C:SER57 3.6 43.8 1.0
NH1 C:ARG320 3.6 30.2 1.0
NH2 C:ARG108 3.8 36.8 1.0
CZ C:ARG108 4.1 36.8 1.0
CE1 C:HIS135 4.3 27.6 1.0
CB C:THR60 4.5 28.2 1.0
CZ C:ARG320 4.5 29.4 1.0
NH2 C:ARG320 4.6 29.1 1.0
N C:THR60 4.6 27.1 1.0
CD2 C:HIS135 4.6 25.6 1.0
CB C:ARG59 4.6 35.7 1.0
CB C:SER57 4.7 42.7 1.0
OE1 C:GLN138 4.7 26.3 1.0
O C:HOH595 4.7 37.8 1.0
O C:HOH580 5.0 49.4 1.0

Chlorine binding site 5 out of 5 in 4kwt

Go back to Chlorine Binding Sites List in 4kwt
Chlorine binding site 5 out of 5 in the Crystal Structure of Unliganded Anabolic Ornithine Carbamoyltransferase From Vibrio Vulnificus at 1.86 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Unliganded Anabolic Ornithine Carbamoyltransferase From Vibrio Vulnificus at 1.86 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl402

b:28.7
occ:1.00
 OG C:SER173 3.0 25.3 1.0
O C:HOH516 3.0 26.2 1.0
N C:LEU13 3.1 26.8 1.0
CB C:SER173 3.6 24.3 1.0
CD1 C:PHE134 3.7 29.2 1.0
CB C:PRO136 3.7 28.0 1.0
CB C:LEU13 3.7 26.6 1.0
CB C:PHE134 3.7 25.8 1.0
CG C:LEU13 3.7 26.6 1.0
CG C:PHE134 3.8 27.9 1.0
CA C:LYS12 3.9 25.7 1.0
CA C:PRO136 3.9 27.0 1.0
C C:LYS12 4.0 26.7 1.0
CA C:LEU13 4.0 26.1 1.0
CD1 C:LEU13 4.0 29.2 1.0
CA C:SER173 4.1 24.7 1.0
N C:PRO136 4.1 25.0 1.0
CB C:LYS12 4.1 27.1 1.0
CD C:PRO136 4.2 25.5 1.0
CG C:PRO136 4.4 28.0 1.0
CE1 C:PHE134 4.5 31.5 1.0
N C:HIS135 4.5 25.8 1.0
CA C:PHE134 4.7 26.0 1.0
C C:HIS135 4.7 26.1 1.0
CD2 C:PHE134 4.8 28.4 1.0
N C:LEU14 4.9 27.8 1.0
O C:SER173 5.0 26.0 1.0
C C:PHE134 5.0 25.9 1.0
C C:LEU13 5.0 25.6 1.0
N C:SER173 5.0 26.3 1.0
CB C:VAL176 5.0 26.4 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 18:37:04 2024

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