Chlorine in PDB 1cs0: Crystal Structure of Carbamoyl Phosphate Synthetase Complexed at CYS269 in the Small Subunit with the Tetrahedral Mimic L-Glutamate Gamma-Semialdehyde

All present enzymatic activity of Crystal Structure of Carbamoyl Phosphate Synthetase Complexed at CYS269 in the Small Subunit with the Tetrahedral Mimic L-Glutamate Gamma-Semialdehyde:
6.3.5.5;

The structure of Crystal Structure of Carbamoyl Phosphate Synthetase Complexed at CYS269 in the Small Subunit with the Tetrahedral Mimic L-Glutamate Gamma-Semialdehyde, PDB code: 1cs0 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 (°)	151.700, 163.800, 332.600, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

The structure of Crystal Structure of Carbamoyl Phosphate Synthetase Complexed at CYS269 in the Small Subunit with the Tetrahedral Mimic L-Glutamate Gamma-Semialdehyde also contains other interesting chemical elements:

Potassium	(K)	33 atoms
Manganese	(Mn)	12 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 29;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of Carbamoyl Phosphate Synthetase Complexed at CYS269 in the Small Subunit with the Tetrahedral Mimic L-Glutamate Gamma-Semialdehyde (pdb code 1cs0). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 29 binding sites of Chlorine where determined in the Crystal Structure of Carbamoyl Phosphate Synthetase Complexed at CYS269 in the Small Subunit with the Tetrahedral Mimic L-Glutamate Gamma-Semialdehyde, PDB code: 1cs0:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 29 in the Crystal Structure of Carbamoyl Phosphate Synthetase Complexed at CYS269 in the Small Subunit with the Tetrahedral Mimic L-Glutamate Gamma-Semialdehyde


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 Complexed at CYS269 in the Small Subunit with the Tetrahedral Mimic L-Glutamate Gamma-Semialdehyde within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl5011 b:20.0 occ:1.00 O A:HOH5133 3.1 25.6 1.0 O A:HOH5134 3.1 17.6 1.0 O A:HOH5138 3.2 12.4 1.0 N A:MET174 3.4 33.0 1.0 CA A:THR173 3.6 32.1 1.0 CG A:GLN93 3.6 15.8 1.0 CB A:THR173 3.7 23.0 1.0 CB A:GLN93 3.8 12.8 1.0 C1 A:NET5094 3.9 10.9 1.0 C4 A:NET5094 3.9 11.7 1.0 C A:THR173 3.9 45.0 1.0 OG A:SER177 4.0 20.0 1.0 CB A:SER177 4.0 19.1 1.0 O A:MET174 4.0 19.0 1.0 CG A:MET174 4.2 21.9 1.0 C2 A:NET5094 4.2 9.4 1.0 CG2 A:THR173 4.3 15.7 1.0 CA A:MET174 4.4 11.0 1.0 C A:MET174 4.6 13.2 1.0 CD A:GLN93 4.6 22.5 1.0 O A:PHE172 4.6 24.2 1.0 O A:HOH5135 4.7 28.3 1.0 N A:THR173 4.8 35.6 1.0 CB A:MET174 4.9 20.8 1.0 O A:HOH5139 4.9 22.3 1.0 SD A:MET174 4.9 25.9 1.0 OG1 A:THR173 4.9 24.4 1.0 OE1 A:GLN93 5.0 20.8 1.0

Chlorine binding site 2 out of 29 in the Crystal Structure of Carbamoyl Phosphate Synthetase Complexed at CYS269 in the Small Subunit with the Tetrahedral Mimic L-Glutamate Gamma-Semialdehyde


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 Complexed at CYS269 in the Small Subunit with the Tetrahedral Mimic L-Glutamate Gamma-Semialdehyde within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl5012 b:31.7 occ:1.00 ND2 A:ASN292 3.4 23.6 1.0 ND2 A:ASN289 3.4 19.3 1.0 NH1 A:ARG294 3.4 55.5 1.0 CD A:ARG294 3.5 20.5 1.0 CZ A:ARG294 3.9 0.0 1.0 NE A:ARG294 3.9 36.1 1.0 CZ2 A:TRP213 4.2 19.5 1.0 CH2 A:TRP213 4.3 17.6 1.0 CG A:ASN292 4.4 21.8 1.0 O A:HOH5385 4.4 40.1 1.0 CB A:ARG294 4.4 15.0 1.0 CG A:ASN289 4.5 24.1 1.0 OD1 A:ASN292 4.5 31.8 1.0 O A:HOH5711 4.6 41.6 1.0 CG A:ARG294 4.6 9.2 1.0 CB A:ASN289 4.7 16.6 1.0 NH2 A:ARG294 4.9 52.1 1.0 CL A:CL5018 4.9 30.4 1.0

Chlorine binding site 3 out of 29 in the Crystal Structure of Carbamoyl Phosphate Synthetase Complexed at CYS269 in the Small Subunit with the Tetrahedral Mimic L-Glutamate Gamma-Semialdehyde


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 Complexed at CYS269 in the Small Subunit with the Tetrahedral Mimic L-Glutamate Gamma-Semialdehyde within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl5013 b:37.3 occ:1.00 O A:HOH5312 3.1 28.7 1.0 N A:GLY902 3.3 31.4 1.0 CD A:PRO901 3.3 27.8 1.0 N A:PRO901 3.4 34.9 1.0 CA A:PHE900 3.4 10.4 1.0 N A:ASN371 3.5 18.9 1.0 C A:PHE900 3.6 16.4 1.0 CA A:ALA370 3.9 20.7 1.0 CB A:PHE900 4.0 14.0 1.0 CB A:ASN371 4.0 22.1 1.0 CB A:ALA370 4.1 23.4 1.0 CA A:GLY902 4.1 27.9 1.0 CG A:PRO901 4.2 25.0 1.0 C A:PRO901 4.2 32.8 1.0 C A:ALA370 4.2 13.8 1.0 CA A:PRO901 4.3 31.6 1.0 CA A:ASN371 4.3 23.1 1.0 O A:PHE900 4.4 34.0 1.0 CB A:PRO901 4.6 47.8 1.0 N A:PHE900 4.7 11.7 1.0 O A:GLY369 4.7 33.1 1.0 O A:LYS899 4.7 22.9 1.0 CD1 A:PHE900 4.8 36.6 1.0 CG A:PHE900 4.9 15.8 1.0 N A:VAL903 4.9 28.4 1.0 O A:ASN371 4.9 20.6 1.0

Chlorine binding site 4 out of 29 in the Crystal Structure of Carbamoyl Phosphate Synthetase Complexed at CYS269 in the Small Subunit with the Tetrahedral Mimic L-Glutamate Gamma-Semialdehyde


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 Complexed at CYS269 in the Small Subunit with the Tetrahedral Mimic L-Glutamate Gamma-Semialdehyde within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl5014 b:35.6 occ:1.00 N A:LYS941 3.0 30.3 1.0 CA A:LYS940 3.3 24.2 1.0 CB A:LYS940 3.4 19.6 1.0 ND1 A:HIS942 3.5 0.0 1.0 C A:LYS940 3.6 58.3 1.0 CE1 A:HIS942 3.6 37.6 1.0 CD A:LYS940 3.9 45.6 1.0 CA A:LYS941 4.1 25.9 1.0 CB A:LYS941 4.2 31.2 1.0 CG A:LYS941 4.2 56.0 1.0 CG A:LYS940 4.2 28.0 1.0 O A:MET939 4.5 31.2 1.0 N A:LYS940 4.6 39.7 1.0 N A:HIS942 4.7 19.6 1.0 CE A:LYS940 4.7 94.9 1.0 C A:LYS941 4.8 15.1 1.0 O A:HOH5673 4.8 34.1 1.0 O A:LYS940 4.8 35.7 1.0 CG A:HIS942 4.8 35.7 1.0 NE2 A:HIS942 4.9 0.0 1.0

Chlorine binding site 5 out of 29 in the Crystal Structure of Carbamoyl Phosphate Synthetase Complexed at CYS269 in the Small Subunit with the Tetrahedral Mimic L-Glutamate Gamma-Semialdehyde


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 Complexed at CYS269 in the Small Subunit with the Tetrahedral Mimic L-Glutamate Gamma-Semialdehyde within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl5015 b:36.1 occ:1.00 CD A:ARG950 3.3 58.5 1.0 N A:GLY952 3.5 46.8 1.0 CB A:ARG950 3.6 35.4 1.0 CB A:SER1018 3.7 76.3 1.0 NE A:ARG950 3.8 43.2 1.0 CB A:GLU951 4.0 52.0 1.0 CG A:ARG950 4.0 27.7 1.0 CA A:GLY952 4.1 61.4 1.0 N A:GLU951 4.1 29.6 1.0 OG A:SER1018 4.3 52.6 1.0 CZ A:ARG950 4.4 0.0 1.0 CA A:GLU951 4.5 26.9 1.0 C A:GLU951 4.5 25.2 1.0 C A:ARG950 4.6 31.8 1.0 NH1 A:ARG950 4.7 43.4 1.0 CA A:ARG950 4.8 46.4 1.0

Chlorine binding site 6 out of 29 in the Crystal Structure of Carbamoyl Phosphate Synthetase Complexed at CYS269 in the Small Subunit with the Tetrahedral Mimic L-Glutamate Gamma-Semialdehyde


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 Complexed at CYS269 in the Small Subunit with the Tetrahedral Mimic L-Glutamate Gamma-Semialdehyde within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl5018 b:30.4 occ:1.00 O A:HOH5711 3.0 41.6 1.0 NH1 A:ARG294 3.3 55.5 1.0 O A:HOH5295 3.6 59.7 1.0 OE1 A:GLU208 4.2 24.4 1.0 O A:HOH5914 4.3 48.4 1.0 OE2 A:GLU208 4.5 37.9 1.0 CD A:GLU208 4.5 37.3 1.0 CZ A:ARG294 4.5 0.0 1.0 CZ2 A:TRP213 4.5 19.5 1.0 CD2 A:LEU210 4.6 18.5 1.0 NH2 A:ARG294 4.9 52.1 1.0 CH2 A:TRP213 4.9 17.6 1.0 CL A:CL5012 4.9 31.7 1.0

Chlorine binding site 7 out of 29 in the Crystal Structure of Carbamoyl Phosphate Synthetase Complexed at CYS269 in the Small Subunit with the Tetrahedral Mimic L-Glutamate Gamma-Semialdehyde


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 Complexed at CYS269 in the Small Subunit with the Tetrahedral Mimic L-Glutamate Gamma-Semialdehyde within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl5016 b:35.8 occ:1.00 N B:LYS285 3.5 39.8 1.0 OD1 B:ASN154 4.0 72.1 1.0 CA B:VAL284 4.1 57.7 1.0 CB B:LYS285 4.1 33.8 1.0 C B:VAL284 4.3 30.2 1.0 CB B:VAL284 4.4 34.3 1.0 CA B:LYS285 4.4 31.3 1.0 ND2 B:ASN154 4.6 35.1 1.0 CG1 B:VAL284 4.6 0.0 1.0 O B:LYS285 4.7 52.9 1.0 CG B:ASN154 4.7 33.0 1.0 O B:THR283 4.8 52.7 1.0

Chlorine binding site 8 out of 29 in the Crystal Structure of Carbamoyl Phosphate Synthetase Complexed at CYS269 in the Small Subunit with the Tetrahedral Mimic L-Glutamate Gamma-Semialdehyde


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 Complexed at CYS269 in the Small Subunit with the Tetrahedral Mimic L-Glutamate Gamma-Semialdehyde within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl5017 b:30.2 occ:1.00 O B:HOH5058 3.0 25.3 1.0 O B:HOH5066 3.1 27.8 1.0 N B:ASP114 3.1 17.8 1.0 O B:HOH5067 3.4 35.4 1.0 CB B:ILE113 3.7 21.5 1.0 CA B:ILE113 3.7 30.3 1.0 CD1 B:PHE15 3.7 35.5 1.0 CB B:ASP114 3.8 16.4 1.0 C B:ILE113 3.9 12.5 1.0 CG A:GLU549 4.0 60.7 1.0 CA B:ASP114 4.1 18.1 1.0 CA B:PHE15 4.2 18.6 1.0 CB B:PHE15 4.3 25.1 1.0 N B:HIS16 4.3 24.9 1.0 CG2 B:ILE113 4.4 16.6 1.0 K B:K5020 4.5 38.8 1.0 CG B:PHE15 4.5 29.7 1.0 O B:HOH5057 4.5 45.6 1.0 O B:HIS16 4.6 27.9 1.0 CB A:GLU549 4.6 27.8 1.0 CE1 B:PHE15 4.6 21.6 1.0 C B:PHE15 4.7 25.0 1.0 CD1 B:ILE113 4.8 19.8 1.0 CG1 B:ILE113 4.9 18.9 1.0 C B:ASP114 4.9 20.1 1.0 O A:HOH5536 4.9 26.9 1.0 O B:ASP114 4.9 20.6 1.0

Chlorine binding site 9 out of 29 in the Crystal Structure of Carbamoyl Phosphate Synthetase Complexed at CYS269 in the Small Subunit with the Tetrahedral Mimic L-Glutamate Gamma-Semialdehyde


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 Complexed at CYS269 in the Small Subunit with the Tetrahedral Mimic L-Glutamate Gamma-Semialdehyde within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl5035 b:21.7 occ:1.00 O C:HOH1132 3.0 14.0 1.0 O C:HOH1133 3.1 13.7 1.0 O C:HOH1137 3.2 19.4 1.0 N C:MET174 3.2 20.9 1.0 CA C:THR173 3.6 5.5 1.0 CG C:GLN93 3.7 11.4 1.0 CB C:THR173 3.7 14.4 1.0 O C:MET174 3.8 18.0 1.0 C C:THR173 3.9 27.6 1.0 CB C:GLN93 4.0 12.7 1.0 C4 C:NET5034 4.0 8.1 1.0 OG C:SER177 4.0 21.2 1.0 CB C:SER177 4.1 12.2 1.0 CG C:MET174 4.1 13.2 1.0 C1 C:NET5034 4.2 7.9 1.0 CA C:MET174 4.3 21.2 1.0 CG2 C:THR173 4.4 10.4 1.0 C C:MET174 4.4 20.5 1.0 C2 C:NET5034 4.5 11.7 1.0 O C:HOH1134 4.5 22.0 1.0 CD C:GLN93 4.5 22.9 1.0 O C:PHE172 4.6 20.4 1.0 OE1 C:GLN93 4.7 21.3 1.0 CB C:MET174 4.8 18.6 1.0 N C:THR173 4.8 24.6 1.0 OG1 C:THR173 4.8 13.4 1.0 O C:HOH1138 5.0 14.7 1.0 SD C:MET174 5.0 20.4 1.0

Chlorine binding site 10 out of 29 in the Crystal Structure of Carbamoyl Phosphate Synthetase Complexed at CYS269 in the Small Subunit with the Tetrahedral Mimic L-Glutamate Gamma-Semialdehyde


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 Complexed at CYS269 in the Small Subunit with the Tetrahedral Mimic L-Glutamate Gamma-Semialdehyde within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl5036 b:29.8 occ:1.00 ND2 C:ASN289 3.2 18.1 1.0 NH1 C:ARG294 3.3 54.2 1.0 ND2 C:ASN292 3.3 20.6 1.0 CD C:ARG294 3.3 14.2 1.0 CZ2 C:TRP213 3.9 15.6 1.0 CZ C:ARG294 4.0 0.0 1.0 NE C:ARG294 4.0 32.7 1.0 CH2 C:TRP213 4.1 18.5 1.0 O C:HOH1397 4.2 33.4 1.0 CG C:ASN289 4.3 15.9 1.0 CG C:ASN292 4.3 22.3 1.0 CB C:ARG294 4.4 15.4 1.0 OD1 C:ASN292 4.4 23.0 1.0 CG C:ARG294 4.5 17.5 1.0 CB C:ASN289 4.5 17.8 1.0 O C:HOH1904 4.8 47.3 1.0

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