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Chlorine in PDB 4h31: Crystal Structure of Anabolic Ornithine Carbamoyltransferase From Vibrio Vulnificus in Complex with Carbamoyl Phosphate and L-Norvaline

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

All present enzymatic activity of Crystal Structure of Anabolic Ornithine Carbamoyltransferase From Vibrio Vulnificus 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 Vibrio Vulnificus in Complex with Carbamoyl Phosphate and L-Norvaline, PDB code: 4h31 was solved by I.G.Shabalin, J.Winsor, S.Grimshaw, T.Osinski, M.D.Chordia, 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) 50.00 / 1.70
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 74.262, 80.911, 152.733, 90.00, 90.00, 90.00
R / Rfree (%) 13.5 / 16.7

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Anabolic Ornithine Carbamoyltransferase From Vibrio Vulnificus in Complex with Carbamoyl Phosphate and L-Norvaline (pdb code 4h31). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structure of Anabolic Ornithine Carbamoyltransferase From Vibrio Vulnificus in Complex with Carbamoyl Phosphate and L-Norvaline, PDB code: 4h31:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 4h31

Go back to Chlorine Binding Sites List in 4h31
Chlorine binding site 1 out of 6 in the Crystal Structure of Anabolic Ornithine Carbamoyltransferase From Vibrio Vulnificus 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 Vibrio Vulnificus in Complex with Carbamoyl Phosphate and L-Norvaline within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl407

b:16.1
occ:1.00
 OG A:SER173 2.9 14.5 1.0
O A:HOH505 3.0 15.6 1.0
N A:LEU13 3.2 16.4 1.0
CB A:SER173 3.6 14.4 1.0
CG A:LEU13 3.6 16.5 1.0
CD1 A:PHE134 3.7 15.3 1.0
CB A:LEU13 3.7 16.3 1.0
CB A:PHE134 3.8 14.4 1.0
CB A:PRO136 3.8 14.0 1.0
CA A:PRO136 3.9 13.8 1.0
CA A:LYS12 3.9 15.0 1.0
CG A:PHE134 3.9 14.6 1.0
C A:LYS12 4.0 14.9 1.0
CA A:LEU13 4.0 15.8 1.0
CA A:SER173 4.1 14.0 1.0
CD1 A:LEU13 4.1 17.8 1.0
CB A:LYS12 4.1 15.4 1.0
N A:PRO136 4.1 13.6 1.0
CD A:PRO136 4.1 13.8 1.0
CG A:PRO136 4.4 13.7 1.0
N A:HIS135 4.5 13.9 1.0
CE1 A:PHE134 4.5 15.5 1.0
CA A:PHE134 4.7 14.0 1.0
C A:HIS135 4.7 13.6 1.0
CD2 A:PHE134 4.9 15.4 1.0
N A:LEU14 4.9 15.9 1.0
O A:SER173 4.9 14.2 1.0
N A:SER173 5.0 13.9 1.0
C A:PHE134 5.0 14.0 1.0

Chlorine binding site 2 out of 6 in 4h31

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Chlorine binding site 2 out of 6 in the Crystal Structure of Anabolic Ornithine Carbamoyltransferase From Vibrio Vulnificus 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 Vibrio Vulnificus in Complex with Carbamoyl Phosphate and L-Norvaline within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl411

b:30.7
occ:1.00
 OG1 A:THR302 3.0 18.0 1.0
N A:MET259 3.2 19.5 1.0
CB A:ASN258 3.6 20.2 1.0
O A:HOH588 3.7 42.7 1.0
CB A:THR302 3.7 17.8 1.0
CG2 A:THR302 3.8 18.0 1.0
CG A:MET259 3.8 25.9 1.0
CB A:GLU304 3.8 27.8 1.0
CA A:ASN258 3.8 18.8 1.0
CB A:MET259 3.9 23.1 1.0
C A:ASN258 4.0 18.8 1.0
CA A:MET259 4.1 20.8 1.0
CG2 A:VAL305 4.4 17.4 1.0
OE1 A:GLU304 4.5 30.8 1.0
CG A:GLU304 4.5 32.9 1.0
N A:VAL305 4.8 19.1 1.0
CD A:GLU304 4.8 36.4 1.0
CG A:ASN258 4.8 21.4 1.0
CA A:GLU304 4.9 23.6 1.0

Chlorine binding site 3 out of 6 in 4h31

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Chlorine binding site 3 out of 6 in the Crystal Structure of Anabolic Ornithine Carbamoyltransferase From Vibrio Vulnificus 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 Vibrio Vulnificus in Complex with Carbamoyl Phosphate and L-Norvaline within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl404

b:19.0
occ:1.00
 OG B:SER173 3.0 18.3 1.0
O B:HOH533 3.1 19.7 1.0
N B:LEU13 3.2 18.5 1.0
CD1 B:PHE134 3.7 18.9 1.0
CB B:SER173 3.7 18.3 1.0
CG B:LEU13 3.7 20.1 1.0
CB B:LEU13 3.7 19.5 1.0
CB B:PRO136 3.7 17.5 1.0
CB B:PHE134 3.8 17.4 1.0
CA B:PRO136 3.8 17.4 1.0
CG B:PHE134 3.9 17.6 1.0
CA B:LYS12 3.9 19.1 1.0
CD1 B:LEU13 4.0 20.9 1.0
CA B:LEU13 4.0 18.9 1.0
C B:LYS12 4.0 19.3 1.0
N B:PRO136 4.1 17.1 1.0
CA B:SER173 4.1 18.0 1.0
CD B:PRO136 4.1 17.0 1.0
CB B:LYS12 4.2 19.9 1.0
CG B:PRO136 4.4 17.2 1.0
N B:HIS135 4.4 17.1 1.0
CE1 B:PHE134 4.5 19.6 1.0
C B:HIS135 4.7 17.4 1.0
CA B:PHE134 4.7 17.2 1.0
CD2 B:PHE134 4.9 18.8 1.0
N B:LEU14 4.9 20.1 1.0
O B:SER173 5.0 17.2 1.0
C B:PHE134 5.0 16.6 1.0
C B:LEU13 5.0 19.7 1.0

Chlorine binding site 4 out of 6 in 4h31

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Chlorine binding site 4 out of 6 in the Crystal Structure of Anabolic Ornithine Carbamoyltransferase From Vibrio Vulnificus 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 Vibrio Vulnificus in Complex with Carbamoyl Phosphate and L-Norvaline within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl406

b:41.8
occ:1.00
 OE1 B:GLU304 2.8 54.7 1.0
OG1 B:THR302 2.9 25.4 1.0
N B:MET259 3.0 28.0 1.0
CB B:ASN258 3.5 26.9 1.0
O B:HOH600 3.6 34.3 1.0
CB B:THR302 3.7 24.9 1.0
CG2 B:THR302 3.7 26.1 1.0
CB B:GLU304 3.7 37.9 1.0
CA B:ASN258 3.7 26.0 1.0
CB B:MET259 3.8 34.2 1.0
C B:ASN258 3.8 26.0 1.0
CD B:GLU304 3.8 50.6 1.0
CG B:MET259 4.0 38.8 1.0
CA B:MET259 4.0 30.8 1.0
CG B:GLU304 4.3 44.7 1.0
CG2 B:VAL305 4.4 24.0 1.0
O B:HOH557 4.5 31.2 1.0
N B:VAL305 4.8 26.4 1.0
CG B:ASN258 4.8 27.8 1.0
CA B:GLU304 4.9 33.0 1.0
OE2 B:GLU304 4.9 57.4 1.0

Chlorine binding site 5 out of 6 in 4h31

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Chlorine binding site 5 out of 6 in the Crystal Structure of Anabolic Ornithine Carbamoyltransferase From Vibrio Vulnificus 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 Vibrio Vulnificus in Complex with Carbamoyl Phosphate and L-Norvaline within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl402

b:21.7
occ:1.00
 OG C:SER173 3.0 18.8 1.0
O C:HOH609 3.1 23.7 1.0
N C:LEU13 3.1 22.0 1.0
CG C:LEU13 3.6 21.6 1.0
CB C:LEU13 3.7 21.9 1.0
CB C:SER173 3.7 19.4 1.0
CD1 C:PHE134 3.7 21.7 1.0
CB C:PRO136 3.8 18.4 1.0
CB C:PHE134 3.8 20.6 1.0
CA C:PRO136 3.9 17.7 1.0
CA C:LYS12 3.9 21.5 1.0
CG C:PHE134 3.9 21.8 1.0
CD1 C:LEU13 4.0 21.9 1.0
C C:LYS12 4.0 21.8 1.0
CA C:LEU13 4.0 21.9 1.0
N C:PRO136 4.0 17.4 1.0
CD C:PRO136 4.1 17.8 1.0
CA C:SER173 4.1 19.4 1.0
CB C:LYS12 4.2 22.9 1.0
CG C:PRO136 4.4 18.3 1.0
N C:HIS135 4.4 18.3 1.0
CE1 C:PHE134 4.5 23.4 1.0
C C:HIS135 4.7 17.3 1.0
CA C:PHE134 4.7 20.4 1.0
CD2 C:PHE134 4.8 22.8 1.0
N C:LEU14 4.9 23.9 1.0
CD2 C:LEU13 4.9 22.3 1.0
O C:SER173 5.0 20.1 1.0
C C:LEU13 5.0 23.5 1.0
C C:PHE134 5.0 18.9 1.0

Chlorine binding site 6 out of 6 in 4h31

Go back to Chlorine Binding Sites List in 4h31
Chlorine binding site 6 out of 6 in the Crystal Structure of Anabolic Ornithine Carbamoyltransferase From Vibrio Vulnificus 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 6 of Crystal Structure of Anabolic Ornithine Carbamoyltransferase From Vibrio Vulnificus in Complex with Carbamoyl Phosphate and L-Norvaline within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl408

b:36.3
occ:1.00
 OE1 C:GLU304 2.7 37.2 0.5
OG1 C:THR302 3.0 23.5 1.0
N C:MET259 3.2 24.5 1.0
CB C:ASN258 3.7 28.0 1.0
CB C:GLU304 3.7 28.0 0.5
CD C:GLU304 3.7 34.1 0.5
CB C:THR302 3.7 22.7 1.0
CG C:MET259 3.8 30.5 1.0
CB C:GLU304 3.8 28.9 0.5
CG2 C:THR302 3.8 24.6 1.0
CA C:ASN258 3.9 24.7 1.0
CB C:MET259 3.9 29.9 1.0
C C:ASN258 4.0 24.6 1.0
CG C:GLU304 4.0 30.0 0.5
O C:HOH627 4.1 46.6 1.0
CA C:MET259 4.1 27.6 1.0
CG2 C:VAL305 4.4 21.8 1.0
CG C:GLU304 4.5 32.0 0.5
OE1 C:GLU304 4.5 32.3 0.5
O C:HOH523 4.6 23.7 0.5
N C:VAL305 4.7 21.3 1.0
OE2 C:GLU304 4.8 34.0 0.5
CA C:GLU304 4.9 26.0 0.5
CA C:GLU304 4.9 26.3 0.5
CD C:GLU304 4.9 34.4 0.5
CG C:ASN258 4.9 30.1 1.0

Reference:

I.G.Shabalin, J.Winsor, S.Grimshaw, T.Osinski, M.D.Chordia, W.F.Anderson, W.Minor. Structural Studies of Ornithine Carbamoyltransferase From Various Pathogens To Be Published.
Page generated: Fri Jul 11 16:07:01 2025

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