Atomistry » Chlorine » PDB 4h1x-4h8x » 4h31
Atomistry »
  Chlorine »
    PDB 4h1x-4h8x »
      4h31 »

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

Go back to Chlorine Binding Sites List in 4h31
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

Go back to Chlorine Binding Sites List in 4h31
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

Go back to Chlorine Binding Sites List in 4h31
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

Go back to Chlorine Binding Sites List in 4h31
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: Sun Jul 21 15:25:18 2024

Last articles

Zn in 9J0N
Zn in 9J0O
Zn in 9J0P
Zn in 9FJX
Zn in 9EKB
Zn in 9C0F
Zn in 9CAH
Zn in 9CH0
Zn in 9CH3
Zn in 9CH1
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy