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Chlorine in PDB 1c3o: Crystal Structure of the Carbamoyl Phosphate Synthetase: Small Subunit Mutant C269S with Bound Glutamine

Enzymatic activity of Crystal Structure of the Carbamoyl Phosphate Synthetase: Small Subunit Mutant C269S with Bound Glutamine

All present enzymatic activity of Crystal Structure of the Carbamoyl Phosphate Synthetase: Small Subunit Mutant C269S with Bound Glutamine:
6.3.5.5;

Protein crystallography data

The structure of Crystal Structure of the Carbamoyl Phosphate Synthetase: Small Subunit Mutant C269S with Bound Glutamine, PDB code: 1c3o was solved by J.B.Thoden, X.Huang, F.M.Raushel, H.M.Holden, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.10
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 152.500, 164.400, 332.600, 90.00, 90.00, 90.00
R / Rfree (%) n/a / n/a

Other elements in 1c3o:

The structure of Crystal Structure of the Carbamoyl Phosphate Synthetase: Small Subunit Mutant C269S with Bound Glutamine also contains other interesting chemical elements:

Potassium (K) 32 atoms
Manganese (Mn) 12 atoms

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 16;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of the Carbamoyl Phosphate Synthetase: Small Subunit Mutant C269S with Bound Glutamine (pdb code 1c3o). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 16 binding sites of Chlorine where determined in the Crystal Structure of the Carbamoyl Phosphate Synthetase: Small Subunit Mutant C269S with Bound Glutamine, PDB code: 1c3o:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 16 in 1c3o

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Chlorine binding site 1 out of 16 in the Crystal Structure of the Carbamoyl Phosphate Synthetase: Small Subunit Mutant C269S with Bound Glutamine


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 the Carbamoyl Phosphate Synthetase: Small Subunit Mutant C269S with Bound Glutamine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl4015

b:25.5
occ:1.00
 O A:HOH4028 3.0 34.4 1.0
O A:HOH4031 3.0 19.8 1.0
O A:HOH4023 3.2 20.6 1.0
N A:MET174 3.5 25.1 1.0
CG A:GLN93 3.7 14.9 1.0
CA A:THR173 3.7 28.1 1.0
CB A:GLN93 3.8 8.2 1.0
C4 A:NET4014 3.9 20.6 1.0
CB A:THR173 3.9 17.8 1.0
C1 A:NET4014 4.0 13.1 1.0
C A:THR173 4.0 31.7 1.0
O A:MET174 4.0 21.0 1.0
CB A:SER177 4.1 21.9 1.0
OG A:SER177 4.2 27.3 1.0
C2 A:NET4014 4.3 14.9 1.0
CG A:MET174 4.3 19.7 1.0
CA A:MET174 4.5 12.9 1.0
CG2 A:THR173 4.5 24.3 1.0
O A:PHE172 4.6 22.5 1.0
CD A:GLN93 4.6 30.3 1.0
C A:MET174 4.7 21.8 1.0
O A:HOH4029 4.8 25.3 1.0
OE1 A:GLN93 4.9 19.2 1.0
N A:THR173 4.9 25.3 1.0
CB A:MET174 4.9 16.2 1.0
C3 A:NET4014 5.0 25.2 1.0

Chlorine binding site 2 out of 16 in 1c3o

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Chlorine binding site 2 out of 16 in the Crystal Structure of the Carbamoyl Phosphate Synthetase: Small Subunit Mutant C269S with Bound Glutamine


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 the Carbamoyl Phosphate Synthetase: Small Subunit Mutant C269S with Bound Glutamine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl4016

b:35.6
occ:1.00
 ND2 A:ASN292 3.3 18.4 1.0
CD A:ARG294 3.4 23.2 1.0
ND2 A:ASN289 3.4 30.9 1.0
NH1 A:ARG294 3.4 80.2 1.0
NE A:ARG294 3.9 42.8 1.0
CZ A:ARG294 4.0 46.1 1.0
CZ2 A:TRP213 4.1 17.4 1.0
O A:HOH4211 4.2 53.7 1.0
CG A:ASN292 4.3 18.8 1.0
CH2 A:TRP213 4.3 19.9 1.0
CB A:ARG294 4.4 14.6 1.0
OD1 A:ASN292 4.4 22.8 1.0
CG A:ASN289 4.5 32.9 1.0
CG A:ARG294 4.6 8.7 1.0
CB A:ASN289 4.6 17.6 1.0

Chlorine binding site 3 out of 16 in 1c3o

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Chlorine binding site 3 out of 16 in the Crystal Structure of the Carbamoyl Phosphate Synthetase: Small Subunit Mutant C269S with Bound Glutamine


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 the Carbamoyl Phosphate Synthetase: Small Subunit Mutant C269S with Bound Glutamine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl4017

b:38.7
occ:1.00
 N A:GLY902 3.2 34.8 1.0
O A:HOH4240 3.3 36.5 1.0
CD A:PRO901 3.3 29.6 1.0
CA A:PHE900 3.4 24.1 1.0
C A:PHE900 3.4 38.1 1.0
N A:PRO901 3.4 37.8 1.0
N A:ASN371 3.5 27.5 1.0
CB A:PHE900 3.8 27.3 1.0
CA A:ALA370 3.8 22.1 1.0
CA A:GLY902 3.9 31.7 1.0
CB A:ALA370 4.0 15.9 1.0
CB A:ASN371 4.0 21.5 1.0
CG A:PRO901 4.0 46.7 1.0
O A:PHE900 4.1 39.6 1.0
O A:HOH4243 4.1 55.8 1.0
C A:PRO901 4.2 27.7 1.0
C A:ALA370 4.2 26.4 1.0
CA A:PRO901 4.2 39.1 1.0
CA A:ASN371 4.3 22.2 1.0
CB A:PRO901 4.6 73.7 1.0
N A:PHE900 4.7 19.1 1.0
CD1 A:PHE900 4.8 26.6 1.0
C A:GLY902 4.8 27.4 1.0
CG A:PHE900 4.8 20.3 1.0
O A:GLY369 4.8 42.5 1.0
O A:LYS899 4.9 16.7 1.0
N A:VAL903 4.9 34.2 1.0
O A:ASN371 4.9 17.3 1.0
CG2 A:VAL903 4.9 20.7 1.0
N A:ALA370 5.0 38.6 1.0

Chlorine binding site 4 out of 16 in 1c3o

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Chlorine binding site 4 out of 16 in the Crystal Structure of the Carbamoyl Phosphate Synthetase: Small Subunit Mutant C269S with Bound Glutamine


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 the Carbamoyl Phosphate Synthetase: Small Subunit Mutant C269S with Bound Glutamine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl4018

b:32.9
occ:1.00
 O B:HOH4081 3.0 23.2 1.0
O B:HOH4073 3.2 27.1 1.0
O A:HOH4546 3.3 30.8 1.0
N B:ASP114 3.4 15.2 1.0
CD1 B:PHE15 3.8 36.0 1.0
CB B:ILE113 3.8 20.9 1.0
CG A:GLU549 3.8 65.1 1.0
CA B:ILE113 3.9 19.8 1.0
CB B:ASP114 4.0 12.2 1.0
CA B:PHE15 4.0 17.9 1.0
CB B:PHE15 4.1 20.2 1.0
C B:ILE113 4.2 21.6 1.0
N B:HIS16 4.2 38.2 1.0
CA B:ASP114 4.3 19.6 1.0
CG2 B:ILE113 4.4 21.4 1.0
CG B:PHE15 4.4 29.5 1.0
O B:HOH4083 4.5 49.2 1.0
K B:K4019 4.5 42.4 1.0
CB A:GLU549 4.5 56.0 1.0
O B:HIS16 4.6 19.8 1.0
C B:PHE15 4.6 20.8 1.0
CE1 B:PHE15 4.7 36.0 1.0
O B:HOH4208 4.7 54.6 1.0
O B:GLN14 4.9 34.2 1.0
CD A:GLU549 5.0 33.9 1.0

Chlorine binding site 5 out of 16 in 1c3o

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Chlorine binding site 5 out of 16 in the Crystal Structure of the Carbamoyl Phosphate Synthetase: Small Subunit Mutant C269S with Bound Glutamine


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 the Carbamoyl Phosphate Synthetase: Small Subunit Mutant C269S with Bound Glutamine within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl4037

b:28.1
occ:1.00
 O C:HOH4050 3.0 18.0 1.0
O C:HOH4045 3.2 25.4 1.0
O C:HOH4053 3.3 14.3 1.0
N C:MET174 3.3 14.4 1.0
CA C:THR173 3.6 13.8 1.0
CB C:THR173 3.6 22.1 1.0
CG C:GLN93 3.8 18.5 1.0
O C:MET174 3.9 25.2 1.0
C1 C:NET4036 3.9 11.1 1.0
C C:THR173 3.9 15.9 1.0
CB C:GLN93 4.0 14.5 1.0
CB C:SER177 4.0 20.5 1.0
OG C:SER177 4.1 17.9 1.0
C4 C:NET4036 4.1 13.4 1.0
CG C:MET174 4.3 11.5 1.0
CG2 C:THR173 4.3 11.8 1.0
C2 C:NET4036 4.3 16.2 1.0
CA C:MET174 4.4 25.9 1.0
C C:MET174 4.5 24.0 1.0
CD C:GLN93 4.6 26.3 1.0
O C:PHE172 4.6 19.8 1.0
O C:HOH4051 4.6 24.1 1.0
OE1 C:GLN93 4.7 31.1 1.0
OG1 C:THR173 4.7 15.9 1.0
N C:THR173 4.8 27.8 1.0
CB C:MET174 4.9 17.8 1.0

Chlorine binding site 6 out of 16 in 1c3o

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Chlorine binding site 6 out of 16 in the Crystal Structure of the Carbamoyl Phosphate Synthetase: Small Subunit Mutant C269S with Bound Glutamine


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 the Carbamoyl Phosphate Synthetase: Small Subunit Mutant C269S with Bound Glutamine within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl4038

b:34.5
occ:1.00
 ND2 C:ASN289 3.0 20.1 1.0
ND2 C:ASN292 3.1 26.4 1.0
CD C:ARG294 3.3 32.4 1.0
NH1 C:ARG294 3.7 67.5 1.0
CZ2 C:TRP213 3.9 25.1 1.0
NE C:ARG294 4.0 34.4 1.0
CH2 C:TRP213 4.1 19.9 1.0
CG C:ASN289 4.1 29.1 1.0
CZ C:ARG294 4.1 0.0 1.0
CG C:ASN292 4.1 31.7 1.0
OD1 C:ASN292 4.3 24.6 1.0
CB C:ARG294 4.3 20.1 1.0
CB C:ASN289 4.4 17.9 1.0
CG C:ARG294 4.4 25.3 1.0
O C:HOH4592 4.8 44.2 1.0

Chlorine binding site 7 out of 16 in 1c3o

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Chlorine binding site 7 out of 16 in the Crystal Structure of the Carbamoyl Phosphate Synthetase: Small Subunit Mutant C269S with Bound Glutamine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of the Carbamoyl Phosphate Synthetase: Small Subunit Mutant C269S with Bound Glutamine within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl4039

b:40.3
occ:1.00
 N C:GLY902 3.1 44.2 1.0
CD C:PRO901 3.2 29.4 1.0
N C:PRO901 3.4 32.8 1.0
C C:PHE900 3.4 27.1 1.0
N C:ASN371 3.5 22.3 1.0
CA C:PHE900 3.5 17.5 1.0
O C:HOH4256 3.5 41.0 1.0
CA C:ALA370 3.8 24.1 1.0
CA C:GLY902 3.9 35.3 1.0
O C:PHE900 4.0 35.9 1.0
CB C:PHE900 4.0 19.1 1.0
C C:PRO901 4.0 42.7 1.0
CA C:PRO901 4.1 63.8 1.0
CB C:ASN371 4.1 15.0 1.0
C C:ALA370 4.2 33.6 1.0
CG C:PRO901 4.2 51.4 1.0
CB C:ALA370 4.2 24.4 1.0
O C:HOH4604 4.4 51.1 1.0
CA C:ASN371 4.4 20.8 1.0
CB C:PRO901 4.5 46.0 1.0
O C:HOH4603 4.6 53.6 1.0
N C:PHE900 4.7 20.5 1.0
C C:GLY902 4.8 51.2 1.0
O C:GLY369 4.8 43.8 1.0
N C:ALA370 4.9 50.6 1.0
N C:VAL903 4.9 27.5 1.0
O C:LYS899 5.0 23.1 1.0

Chlorine binding site 8 out of 16 in 1c3o

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Chlorine binding site 8 out of 16 in the Crystal Structure of the Carbamoyl Phosphate Synthetase: Small Subunit Mutant C269S with Bound Glutamine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of the Carbamoyl Phosphate Synthetase: Small Subunit Mutant C269S with Bound Glutamine within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl4040

b:32.3
occ:1.00
 O D:HOH1501 3.0 29.3 1.0
O C:HOH4558 3.1 21.9 1.0
N D:ASP114 3.4 11.5 1.0
O D:HOH1399 3.4 42.2 1.0
CG C:GLU549 3.6 68.9 1.0
CD1 D:PHE15 3.7 24.4 1.0
CB D:ILE113 3.9 59.9 1.0
CB D:ASP114 3.9 12.2 1.0
CA D:ILE113 4.0 26.7 1.0
C D:ILE113 4.2 10.8 1.0
O C:HOH4561 4.2 36.1 1.0
CA D:PHE15 4.2 23.3 1.0
CA D:ASP114 4.2 16.7 1.0
CB D:PHE15 4.3 30.7 1.0
N D:HIS16 4.3 31.0 1.0
CB C:GLU549 4.4 23.1 1.0
CG2 D:ILE113 4.5 16.3 1.0
CG D:PHE15 4.5 31.7 1.0
K D:K4041 4.5 36.3 1.0
O D:HIS16 4.5 25.7 1.0
CE1 D:PHE15 4.6 18.6 1.0
CD C:GLU549 4.7 0.0 1.0
C D:PHE15 4.7 17.4 1.0
O D:GLN14 4.9 16.7 1.0
O C:HOH4559 5.0 34.0 1.0
CD1 D:ILE113 5.0 32.3 1.0

Chlorine binding site 9 out of 16 in 1c3o

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Chlorine binding site 9 out of 16 in the Crystal Structure of the Carbamoyl Phosphate Synthetase: Small Subunit Mutant C269S with Bound Glutamine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of the Carbamoyl Phosphate Synthetase: Small Subunit Mutant C269S with Bound Glutamine within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl4059

b:24.4
occ:1.00
 O E:HOH4083 3.1 16.0 1.0
O E:HOH4080 3.1 34.0 1.0
O E:HOH4075 3.1 20.0 1.0
N E:MET174 3.2 24.8 1.0
CA E:THR173 3.6 19.5 1.0
CB E:THR173 3.7 19.6 1.0
CG E:GLN93 3.7 11.7 1.0
O E:MET174 3.7 18.6 1.0
OG E:SER177 3.8 17.8 1.0
CB E:SER177 3.8 17.0 1.0
C4 E:NET4058 3.9 18.5 1.0
C E:THR173 3.9 27.6 1.0
CB E:GLN93 3.9 19.0 1.0
C1 E:NET4058 4.1 26.0 1.0
CG E:MET174 4.1 38.1 1.0
CA E:MET174 4.2 23.2 1.0
CG2 E:THR173 4.3 16.3 1.0
C E:MET174 4.4 27.0 1.0
C2 E:NET4058 4.4 24.4 1.0
CD E:GLN93 4.5 15.9 1.0
O E:HOH4081 4.5 25.6 1.0
O E:PHE172 4.5 23.4 1.0
OE1 E:GLN93 4.7 22.8 1.0
CB E:MET174 4.7 10.2 1.0
OG1 E:THR173 4.8 27.8 1.0
N E:THR173 4.8 15.8 1.0
O E:HOH4076 4.9 23.7 1.0
SD E:MET174 5.0 24.2 1.0

Chlorine binding site 10 out of 16 in 1c3o

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Chlorine binding site 10 out of 16 in the Crystal Structure of the Carbamoyl Phosphate Synthetase: Small Subunit Mutant C269S with Bound Glutamine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of the Carbamoyl Phosphate Synthetase: Small Subunit Mutant C269S with Bound Glutamine within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl4060

b:39.0
occ:1.00
 ND2 E:ASN289 3.3 20.5 1.0
CD E:ARG294 3.5 39.4 1.0
ND2 E:ASN292 3.7 37.6 1.0
NH1 E:ARG294 3.8 52.3 1.0
CZ2 E:TRP213 4.0 22.8 1.0
NE E:ARG294 4.0 45.6 1.0
CZ E:ARG294 4.2 0.0 1.0
CH2 E:TRP213 4.2 34.8 1.0
OD1 E:ASN292 4.5 40.4 1.0
CG E:ASN289 4.5 34.5 1.0
CG E:ASN292 4.5 19.1 1.0
CB E:ARG294 4.6 27.5 1.0
CG E:ARG294 4.6 28.5 1.0
O E:HOH4675 4.6 38.4 1.0
CB E:ASN289 4.7 16.1 1.0
O E:HOH4306 4.8 56.3 1.0

Reference:

J.B.Thoden, X.Huang, F.M.Raushel, H.M.Holden. The Small Subunit of Carbamoyl Phosphate Synthetase: Snapshots Along the Reaction Pathway. Biochemistry V. 38 16158 1999.
ISSN: ISSN 0006-2960
PubMed: 10587438
DOI: 10.1021/BI991741J
Page generated: Fri Jul 19 21:10:22 2024

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