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Chlorine in PDB 4nf2: Crystal Structure of Anabolic Ornithine Carbamoyltransferase From Bacillus Anthracis in Complex with Carbamoyl Phosphate and L- Norvaline

Enzymatic activity of Crystal Structure of Anabolic Ornithine Carbamoyltransferase From Bacillus Anthracis in Complex with Carbamoyl Phosphate and L- Norvaline

All present enzymatic activity of Crystal Structure of Anabolic Ornithine Carbamoyltransferase From Bacillus Anthracis in Complex with Carbamoyl Phosphate and L- Norvaline:
2.1.3.3;

Protein crystallography data

The structure of Crystal Structure of Anabolic Ornithine Carbamoyltransferase From Bacillus Anthracis in Complex with Carbamoyl Phosphate and L- Norvaline, PDB code: 4nf2 was solved by I.G.Shabalin, K.Handing, M.T.Cymborowski, J.Stam, J.Winsor, L.Shuvalova, W.F.Anderson, W.Minor, Center For Structural Genomics Of Infectiousdiseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.23 / 1.74
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 85.893, 99.893, 118.989, 90.00, 90.00, 90.00
R / Rfree (%) 14.5 / 17

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Anabolic Ornithine Carbamoyltransferase From Bacillus Anthracis in Complex with Carbamoyl Phosphate and L- Norvaline (pdb code 4nf2). 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 Anabolic Ornithine Carbamoyltransferase From Bacillus Anthracis in Complex with Carbamoyl Phosphate and L- Norvaline, PDB code: 4nf2:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 4nf2

Go back to Chlorine Binding Sites List in 4nf2
Chlorine binding site 1 out of 5 in the Crystal Structure of Anabolic Ornithine Carbamoyltransferase From Bacillus Anthracis in Complex with Carbamoyl Phosphate and L- Norvaline


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 Bacillus Anthracis in Complex with Carbamoyl Phosphate and L- Norvaline within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl403

b:36.0
occ:1.00
 N A:PHE291 3.1 28.3 1.0
N A:GLU292 3.4 28.7 1.0
C A:ILE289 3.4 30.8 1.0
CA A:ILE289 3.5 32.9 1.0
CB A:PHE291 3.6 30.1 1.0
CA A:PHE291 3.6 27.8 1.0
N A:VAL290 3.7 29.2 1.0
O A:ILE289 3.8 29.7 1.0
O A:SER288 3.9 35.1 1.0
C A:PHE291 4.0 28.8 1.0
CD2 A:PHE291 4.0 32.4 1.0
CG A:GLU292 4.1 34.2 1.0
C A:VAL290 4.2 26.7 1.0
CG A:PHE291 4.2 30.3 1.0
N A:ILE289 4.4 33.6 1.0
CB A:GLU292 4.4 30.2 1.0
C A:SER288 4.5 36.1 1.0
CA A:GLU292 4.5 29.6 1.0
CA A:VAL290 4.5 28.2 1.0
CB A:ILE289 4.6 34.5 1.0
O A:HOH574 4.7 45.6 1.0

Chlorine binding site 2 out of 5 in 4nf2

Go back to Chlorine Binding Sites List in 4nf2
Chlorine binding site 2 out of 5 in the Crystal Structure of Anabolic Ornithine Carbamoyltransferase From Bacillus Anthracis in Complex with Carbamoyl Phosphate and L- Norvaline


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 Bacillus Anthracis in Complex with Carbamoyl Phosphate and L- Norvaline within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl404

b:42.4
occ:1.00
 O A:HOH540 2.9 32.9 1.0
O A:HOH513 3.1 25.8 1.0
N A:GLY236 3.3 31.7 1.0
CA A:GLY236 3.4 38.6 1.0
CB A:SER234 3.5 31.0 1.0
CG A:GLN237 3.8 38.2 1.0
OD1 A:ASP132 3.9 26.1 1.0
C A:GLY236 3.9 41.9 1.0
O A:ASP132 4.1 28.9 1.0
N A:GLN237 4.1 39.9 1.0
CA A:ASP132 4.1 27.0 1.0
CG A:ASP132 4.3 30.6 1.0
ND2 A:ASN166 4.3 22.9 1.0
O A:NVA402 4.4 22.6 1.0
CB A:ASP132 4.4 26.9 1.0
C A:SER234 4.4 31.3 1.0
N A:MET235 4.5 28.5 1.0
CD A:GLN237 4.5 39.7 1.0
O A:HOH559 4.5 43.8 1.0
OG A:SER234 4.5 30.5 1.0
C A:MET235 4.5 31.3 1.0
C A:ASP132 4.5 29.1 1.0
NE2 A:GLN237 4.6 41.5 1.0
CA A:SER234 4.6 29.7 1.0
O A:GLY236 4.7 45.7 1.0
NZ A:LYS55 4.7 24.2 1.0
O A:SER234 4.8 29.2 1.0
CB A:GLN237 4.9 39.1 1.0
CA A:GLN237 5.0 42.2 1.0

Chlorine binding site 3 out of 5 in 4nf2

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Chlorine binding site 3 out of 5 in the Crystal Structure of Anabolic Ornithine Carbamoyltransferase From Bacillus Anthracis in Complex with Carbamoyl Phosphate and L- Norvaline


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 Bacillus Anthracis in Complex with Carbamoyl Phosphate and L- Norvaline within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl401

b:31.3
occ:1.00
 O B:HOH619 3.1 37.6 1.0
N B:GLU292 3.3 21.0 1.0
N B:PHE291 3.3 19.2 1.0
C B:ILE289 3.6 20.3 1.0
CB B:PHE291 3.6 21.8 1.0
CA B:ILE289 3.6 20.9 1.0
CA B:PHE291 3.7 19.6 1.0
CG B:GLU292 3.8 33.1 1.0
O B:ILE289 3.8 18.6 1.0
N B:VAL290 3.9 18.3 1.0
O B:HOH653 3.9 42.7 1.0
C B:PHE291 3.9 20.1 1.0
O B:SER288 4.0 22.7 1.0
CB B:GLU292 4.2 27.2 1.0
CD2 B:PHE291 4.2 23.4 1.0
CA B:GLU292 4.3 22.8 1.0
C B:VAL290 4.4 18.4 1.0
CG B:PHE291 4.4 19.6 1.0
N B:ILE289 4.5 22.4 1.0
CB B:ILE289 4.6 22.8 1.0
C B:SER288 4.6 21.9 1.0
CA B:VAL290 4.7 17.4 1.0
CD B:GLU292 4.9 39.4 1.0
O B:HOH693 4.9 39.1 1.0
OE1 B:GLU292 5.0 47.3 1.0

Chlorine binding site 4 out of 5 in 4nf2

Go back to Chlorine Binding Sites List in 4nf2
Chlorine binding site 4 out of 5 in the Crystal Structure of Anabolic Ornithine Carbamoyltransferase From Bacillus Anthracis in Complex with Carbamoyl Phosphate and L- Norvaline


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 Bacillus Anthracis in Complex with Carbamoyl Phosphate and L- Norvaline within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl404

b:31.2
occ:1.00
 O B:HOH667 2.8 34.3 1.0
O B:HOH666 3.0 20.1 1.0
O B:HOH749 3.1 23.2 1.0
N B:GLY236 3.3 21.9 1.0
CA B:GLY236 3.3 32.0 1.0
CB B:SER234 3.5 19.2 1.0
C B:GLY236 3.8 35.4 1.0
CG B:GLN237 3.8 25.6 1.0
OD1 B:ASP132 3.8 21.1 1.0
N B:GLN237 4.1 29.7 1.0
CA B:ASP132 4.1 19.3 1.0
O B:ASP132 4.2 20.8 1.0
CG B:ASP132 4.2 21.2 1.0
OXT B:NVA402 4.4 18.7 1.0
CB B:ASP132 4.4 21.2 1.0
ND2 B:ASN166 4.4 17.9 1.0
CD B:GLN237 4.4 25.1 1.0
O B:GLY236 4.4 37.0 1.0
C B:SER234 4.4 19.3 1.0
N B:MET235 4.5 18.4 1.0
OG B:SER234 4.5 19.4 1.0
NE2 B:GLN237 4.5 25.4 1.0
O B:HOH668 4.5 35.5 1.0
C B:MET235 4.5 23.5 1.0
CA B:SER234 4.6 18.5 1.0
NZ B:LYS55 4.7 21.1 1.0
C B:ASP132 4.7 21.0 1.0
O B:SER234 4.8 20.4 1.0
CB B:GLN237 4.9 27.9 1.0
CA B:GLN237 5.0 30.7 1.0

Chlorine binding site 5 out of 5 in 4nf2

Go back to Chlorine Binding Sites List in 4nf2
Chlorine binding site 5 out of 5 in the Crystal Structure of Anabolic Ornithine Carbamoyltransferase From Bacillus Anthracis in Complex with Carbamoyl Phosphate and L- Norvaline


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 Anabolic Ornithine Carbamoyltransferase From Bacillus Anthracis in Complex with Carbamoyl Phosphate and L- Norvaline within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl403

b:34.9
occ:1.00
 O A:HOH689 2.7 49.3 1.0
O C:HOH632 3.1 39.8 1.0
N C:PHE291 3.3 22.8 1.0
N C:GLU292 3.3 26.2 1.0
C C:ILE289 3.6 23.9 1.0
CB C:PHE291 3.6 24.7 1.0
CA C:ILE289 3.6 25.6 1.0
CA C:PHE291 3.7 22.9 1.0
O C:ILE289 3.8 23.3 1.0
CG C:GLU292 3.9 36.6 1.0
N C:VAL290 3.9 23.1 1.0
C C:PHE291 3.9 25.5 1.0
O C:SER288 4.1 27.1 1.0
CB C:GLU292 4.2 30.7 1.0
CD2 C:PHE291 4.2 28.3 1.0
CA C:GLU292 4.4 26.9 1.0
C C:VAL290 4.4 23.1 1.0
CG C:PHE291 4.4 25.0 1.0
N C:ILE289 4.5 25.4 1.0
CB C:ILE289 4.6 26.4 1.0
C C:SER288 4.7 25.1 1.0
CA C:VAL290 4.8 21.5 1.0
O C:HOH768 4.8 52.5 1.0
CD C:GLU292 5.0 41.3 1.0

Reference:

I.G.Shabalin, K.Handing, M.T.Cymborowski, J.Stam, J.Winsor, L.Shuvalova, W.F.Anderson, 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 20:39:59 2024

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