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Chlorine in PDB 1c30: Crystal Structure of Carbamoyl Phosphate Synthetase: Small Subunit Mutation C269S

Enzymatic activity of Crystal Structure of Carbamoyl Phosphate Synthetase: Small Subunit Mutation C269S

All present enzymatic activity of Crystal Structure of Carbamoyl Phosphate Synthetase: Small Subunit Mutation C269S:
6.3.5.5;

Protein crystallography data

The structure of Crystal Structure of Carbamoyl Phosphate Synthetase: Small Subunit Mutation C269S, PDB code: 1c30 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 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 152.600, 164.600, 332.700, 90.00, 90.00, 90.00
R / Rfree (%) n/a / n/a

Other elements in 1c30:

The structure of Crystal Structure of Carbamoyl Phosphate Synthetase: Small Subunit Mutation C269S 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 Carbamoyl Phosphate Synthetase: Small Subunit Mutation C269S (pdb code 1c30). 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 Carbamoyl Phosphate Synthetase: Small Subunit Mutation C269S, PDB code: 1c30:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 16 in 1c30

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Chlorine binding site 1 out of 16 in the Crystal Structure of Carbamoyl Phosphate Synthetase: Small Subunit Mutation C269S


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 Carbamoyl Phosphate Synthetase: Small Subunit Mutation C269S within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl4012

b:25.2
occ:1.00
 O A:HOH4078 3.0 24.2 1.0
O A:HOH4081 3.2 18.9 1.0
O A:HOH4073 3.2 23.1 1.0
N A:MET174 3.3 30.3 1.0
CA A:THR173 3.6 24.6 1.0
CG A:GLN93 3.7 20.7 1.0
CB A:GLN93 3.8 12.2 1.0
CB A:THR173 3.8 16.4 1.0
C A:THR173 3.9 42.9 1.0
CG A:MET174 4.0 21.8 1.0
C4 A:NET4011 4.1 22.5 1.0
O A:MET174 4.1 23.6 1.0
OG A:SER177 4.1 25.7 1.0
C1 A:NET4011 4.2 17.3 1.0
C2 A:NET4011 4.2 18.6 1.0
CB A:SER177 4.2 23.0 1.0
CA A:MET174 4.4 19.9 1.0
CG2 A:THR173 4.5 27.6 1.0
CD A:GLN93 4.5 30.6 1.0
O A:HOH4079 4.5 27.5 1.0
O A:PHE172 4.5 18.3 1.0
C A:MET174 4.6 15.7 1.0
CB A:MET174 4.8 16.1 1.0
N A:THR173 4.8 40.0 1.0
OE1 A:GLN93 4.9 18.4 1.0
SD A:MET174 4.9 33.5 1.0
C3 A:NET4011 4.9 25.9 1.0
OG1 A:THR173 5.0 34.0 1.0

Chlorine binding site 2 out of 16 in 1c30

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Chlorine binding site 2 out of 16 in the Crystal Structure of Carbamoyl Phosphate Synthetase: Small Subunit Mutation C269S


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 Carbamoyl Phosphate Synthetase: Small Subunit Mutation C269S within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl4013

b:38.7
occ:1.00
 ND2 A:ASN289 3.2 19.1 1.0
ND2 A:ASN292 3.3 17.6 1.0
CD A:ARG294 3.6 18.1 1.0
NH1 A:ARG294 4.0 68.1 1.0
NE A:ARG294 4.1 39.7 1.0
CZ2 A:TRP213 4.1 27.9 1.0
CZ A:ARG294 4.2 0.0 1.0
CG A:ASN292 4.3 18.5 1.0
CH2 A:TRP213 4.3 26.2 1.0
CG A:ASN289 4.4 17.6 1.0
OD1 A:ASN292 4.4 33.4 1.0
CB A:ARG294 4.5 9.3 1.0
CB A:ASN289 4.6 13.1 1.0
CG A:ARG294 4.7 17.0 1.0

Chlorine binding site 3 out of 16 in 1c30

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Chlorine binding site 3 out of 16 in the Crystal Structure of Carbamoyl Phosphate Synthetase: Small Subunit Mutation C269S


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 Carbamoyl Phosphate Synthetase: Small Subunit Mutation C269S within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl4014

b:37.5
occ:1.00
 N A:GLY902 3.2 44.4 1.0
O A:HOH4279 3.2 34.1 1.0
N A:ASN371 3.3 31.9 1.0
CD A:PRO901 3.5 29.8 1.0
C A:PHE900 3.5 21.0 1.0
CA A:PHE900 3.6 13.4 1.0
N A:PRO901 3.7 31.9 1.0
CA A:ALA370 3.7 20.2 1.0
CA A:GLY902 3.8 31.9 1.0
O A:HOH4769 3.9 64.4 1.0
O A:HOH4282 4.0 55.7 1.0
CB A:PHE900 4.0 18.4 1.0
CB A:ASN371 4.0 17.3 1.0
C A:ALA370 4.1 30.8 1.0
O A:PHE900 4.1 32.5 1.0
CB A:ALA370 4.1 12.3 1.0
C A:PRO901 4.3 39.4 1.0
CA A:ASN371 4.3 21.9 1.0
CG A:PRO901 4.4 42.7 1.0
CA A:PRO901 4.5 43.0 1.0
O A:GLY369 4.5 36.0 1.0
C A:GLY902 4.7 39.5 1.0
O A:ASN371 4.8 23.4 1.0
N A:VAL903 4.8 34.3 1.0
CD1 A:PHE900 4.9 29.9 1.0
N A:ALA370 4.9 27.4 1.0
N A:PHE900 4.9 18.9 1.0
CB A:PRO901 4.9 32.8 1.0
O A:LYS899 5.0 22.9 1.0
CG A:PHE900 5.0 18.3 1.0

Chlorine binding site 4 out of 16 in 1c30

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Chlorine binding site 4 out of 16 in the Crystal Structure of Carbamoyl Phosphate Synthetase: Small Subunit Mutation C269S


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 Carbamoyl Phosphate Synthetase: Small Subunit Mutation C269S within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl4015

b:37.6
occ:1.00
 O A:HOH4567 3.0 28.9 1.0
O B:HOH4067 3.1 33.4 1.0
N B:ASP114 3.2 31.7 1.0
O B:HOH4063 3.4 31.9 1.0
CB B:ASP114 3.7 15.8 1.0
CB B:ILE113 3.8 34.4 1.0
CD1 B:PHE15 3.8 28.7 1.0
CA B:ILE113 3.8 28.1 1.0
CG A:GLU549 3.8 87.9 1.0
C B:ILE113 4.0 22.1 1.0
CA B:ASP114 4.1 23.5 1.0
CB B:PHE15 4.1 19.7 1.0
CA B:PHE15 4.2 23.0 1.0
N B:HIS16 4.3 20.6 1.0
O B:HIS16 4.3 31.7 1.0
O B:HOH4069 4.4 58.3 1.0
K B:K4016 4.4 42.8 1.0
CG2 B:ILE113 4.4 18.3 1.0
CB A:GLU549 4.5 53.2 1.0
CG B:PHE15 4.5 27.8 1.0
C B:PHE15 4.6 18.8 1.0
CE1 B:PHE15 4.8 27.5 1.0
CD1 B:ILE113 4.9 20.3 1.0
CG1 B:ILE113 4.9 10.4 1.0
O A:HOH4568 5.0 34.8 1.0
C B:ASP114 5.0 31.8 1.0

Chlorine binding site 5 out of 16 in 1c30

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Chlorine binding site 5 out of 16 in the Crystal Structure of Carbamoyl Phosphate Synthetase: Small Subunit Mutation C269S


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 Carbamoyl Phosphate Synthetase: Small Subunit Mutation C269S within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl4032

b:22.6
occ:1.00
 O C:HOH4049 3.1 23.1 1.0
O C:HOH4041 3.1 26.1 1.0
O C:HOH4046 3.2 26.0 1.0
N C:MET174 3.3 23.4 1.0
CA C:THR173 3.5 20.5 1.0
CB C:THR173 3.6 21.8 1.0
CG C:GLN93 3.8 11.4 1.0
C C:THR173 3.9 26.7 1.0
O C:MET174 4.0 15.8 1.0
CB C:GLN93 4.0 17.5 1.0
C1 C:NET4031 4.1 15.4 1.0
CB C:SER177 4.1 13.7 1.0
C4 C:NET4031 4.1 15.9 1.0
OG C:SER177 4.1 33.0 1.0
CG C:MET174 4.3 19.0 1.0
C2 C:NET4031 4.3 16.3 1.0
CG2 C:THR173 4.3 12.0 1.0
CA C:MET174 4.4 22.1 1.0
O C:HOH4047 4.6 22.5 1.0
C C:MET174 4.6 33.6 1.0
O C:PHE172 4.6 19.0 1.0
OG1 C:THR173 4.6 22.0 1.0
CD C:GLN93 4.7 19.0 1.0
N C:THR173 4.8 24.9 1.0
OE1 C:GLN93 4.8 19.9 1.0
CB C:MET174 4.9 32.6 1.0

Chlorine binding site 6 out of 16 in 1c30

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Chlorine binding site 6 out of 16 in the Crystal Structure of Carbamoyl Phosphate Synthetase: Small Subunit Mutation C269S


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 Carbamoyl Phosphate Synthetase: Small Subunit Mutation C269S within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl4033

b:35.8
occ:1.00
 ND2 C:ASN292 3.2 25.5 1.0
ND2 C:ASN289 3.2 24.9 1.0
CD C:ARG294 3.4 28.5 1.0
NH1 C:ARG294 3.8 78.5 1.0
NE C:ARG294 4.1 39.9 1.0
CZ2 C:TRP213 4.1 19.4 1.0
CZ C:ARG294 4.2 0.0 1.0
CG C:ASN292 4.2 25.6 1.0
CG C:ASN289 4.3 35.5 1.0
CH2 C:TRP213 4.4 13.9 1.0
OD1 C:ASN292 4.4 27.5 1.0
CB C:ARG294 4.5 15.0 1.0
CB C:ASN289 4.6 15.1 1.0
CG C:ARG294 4.6 20.4 1.0
O C:HOH4549 4.9 43.5 1.0

Chlorine binding site 7 out of 16 in 1c30

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Chlorine binding site 7 out of 16 in the Crystal Structure of Carbamoyl Phosphate Synthetase: Small Subunit Mutation C269S


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 Carbamoyl Phosphate Synthetase: Small Subunit Mutation C269S within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl4034

b:35.6
occ:1.00
 N C:GLY902 3.2 30.0 1.0
N C:ASN371 3.3 23.1 1.0
CD C:PRO901 3.5 28.1 1.0
CA C:PHE900 3.5 18.4 1.0
N C:PRO901 3.5 21.7 1.0
C C:PHE900 3.5 35.7 1.0
CA C:ALA370 3.6 30.2 1.0
O C:HOH4234 3.6 36.2 1.0
CA C:GLY902 3.8 27.5 1.0
CB C:PHE900 3.9 14.5 1.0
C C:ALA370 4.0 21.5 1.0
CB C:ALA370 4.0 22.2 1.0
CB C:ASN371 4.1 22.1 1.0
C C:PRO901 4.2 39.0 1.0
O C:PHE900 4.2 33.5 1.0
CA C:ASN371 4.3 22.0 1.0
CA C:PRO901 4.3 49.4 1.0
O C:HOH4557 4.4 56.2 1.0
CG C:PRO901 4.5 36.0 1.0
C C:GLY902 4.7 45.9 1.0
O C:GLY369 4.7 49.8 1.0
N C:ALA370 4.8 36.9 1.0
N C:VAL903 4.8 28.8 1.0
O C:ASN371 4.8 22.1 1.0
N C:PHE900 4.8 17.3 1.0
CB C:PRO901 4.9 35.4 1.0
CG C:PHE900 5.0 37.9 1.0
O C:LYS899 5.0 20.0 1.0

Chlorine binding site 8 out of 16 in 1c30

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Chlorine binding site 8 out of 16 in the Crystal Structure of Carbamoyl Phosphate Synthetase: Small Subunit Mutation C269S


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 Carbamoyl Phosphate Synthetase: Small Subunit Mutation C269S within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl4035

b:27.3
occ:1.00
 O D:HOH1598 2.9 24.8 1.0
O C:HOH4519 3.2 29.0 1.0
N D:ASP114 3.2 28.5 1.0
O D:HOH1506 3.5 27.7 1.0
CG C:GLU549 3.8 0.0 1.0
CD1 D:PHE15 3.8 22.2 1.0
CB D:ASP114 3.9 16.9 1.0
CA D:ILE113 3.9 24.3 1.0
CB D:ILE113 3.9 25.3 1.0
CA D:PHE15 4.0 25.8 1.0
C D:ILE113 4.0 14.6 1.0
CB D:PHE15 4.1 22.9 1.0
N D:HIS16 4.1 27.8 1.0
CA D:ASP114 4.2 19.6 1.0
O D:HIS16 4.4 22.5 1.0
CG D:PHE15 4.4 26.0 1.0
O D:HOH1603 4.4 42.9 1.0
C D:PHE15 4.4 25.1 1.0
CG2 D:ILE113 4.4 15.6 1.0
K D:K4036 4.5 32.0 1.0
CB C:GLU549 4.5 24.2 1.0
CE1 D:PHE15 4.8 15.2 1.0
CD C:GLU549 4.8 30.9 1.0
O D:GLN14 4.8 30.0 1.0

Chlorine binding site 9 out of 16 in 1c30

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Chlorine binding site 9 out of 16 in the Crystal Structure of Carbamoyl Phosphate Synthetase: Small Subunit Mutation C269S


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 Carbamoyl Phosphate Synthetase: Small Subunit Mutation C269S within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl4053

b:29.0
occ:1.00
 O E:HOH4084 3.0 15.1 1.0
O E:HOH4081 3.2 27.9 1.0
O E:HOH4076 3.2 28.7 1.0
N E:MET174 3.4 27.1 1.0
C4 E:NET4052 3.6 27.4 1.0
CA E:THR173 3.7 27.8 1.0
CG E:GLN93 3.7 28.3 1.0
CB E:THR173 3.8 20.5 1.0
C1 E:NET4052 3.9 20.6 1.0
CB E:GLN93 3.9 24.3 1.0
CB E:SER177 3.9 10.1 1.0
OG E:SER177 4.0 23.6 1.0
O E:MET174 4.0 29.9 1.0
C E:THR173 4.1 37.3 1.0
O E:HOH4082 4.2 22.3 1.0
CG E:MET174 4.3 33.5 1.0
C2 E:NET4052 4.3 28.5 1.0
CA E:MET174 4.4 36.9 1.0
CG2 E:THR173 4.4 14.1 1.0
O E:PHE172 4.5 21.6 1.0
C E:MET174 4.6 24.4 1.0
CD E:GLN93 4.6 19.1 1.0
OE1 E:GLN93 4.8 22.3 1.0
C3 E:NET4052 4.9 15.3 1.0
N E:THR173 4.9 21.9 1.0
N1 E:NET4052 4.9 25.8 1.0
OG1 E:THR173 4.9 28.6 1.0
CB E:MET174 4.9 25.0 1.0

Chlorine binding site 10 out of 16 in 1c30

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Chlorine binding site 10 out of 16 in the Crystal Structure of Carbamoyl Phosphate Synthetase: Small Subunit Mutation C269S


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 Carbamoyl Phosphate Synthetase: Small Subunit Mutation C269S within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl4054

b:39.8
occ:1.00
 ND2 E:ASN289 3.4 24.8 1.0
CD E:ARG294 3.5 36.2 1.0
ND2 E:ASN292 3.7 28.4 1.0
CZ2 E:TRP213 4.0 32.6 1.0
NE E:ARG294 4.0 76.5 1.0
NH1 E:ARG294 4.0 74.4 1.0
CZ E:ARG294 4.2 0.0 1.0
CH2 E:TRP213 4.2 27.7 1.0
OD1 E:ASN292 4.5 34.2 1.0
O E:HOH4293 4.5 41.2 1.0
CG E:ASN289 4.5 27.8 1.0
CB E:ARG294 4.5 18.8 1.0
CG E:ASN292 4.5 26.8 1.0
CG E:ARG294 4.6 23.0 1.0
CB E:ASN289 4.7 22.8 1.0
O E:HOH4632 4.8 48.0 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: Sat Dec 12 08:32:22 2020

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