Chlorine in PDB 1m6v: Crystal Structure of the G359F (Small Subunit) Point Mutant of Carbamoyl Phosphate Synthetase

All present enzymatic activity of Crystal Structure of the G359F (Small Subunit) Point Mutant of Carbamoyl Phosphate Synthetase:
6.3.5.5;

The structure of Crystal Structure of the G359F (Small Subunit) Point Mutant of Carbamoyl Phosphate Synthetase, PDB code: 1m6v 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 (°)	151.500, 164.200, 331.500, 90.00, 90.00, 90.00
R / Rfree (%)	17.4 / 24.5

The structure of Crystal Structure of the G359F (Small Subunit) Point Mutant of Carbamoyl Phosphate Synthetase also contains other interesting chemical elements:

Potassium	(K)	26 atoms
Manganese	(Mn)	12 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 28;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of the G359F (Small Subunit) Point Mutant of Carbamoyl Phosphate Synthetase (pdb code 1m6v). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 28 binding sites of Chlorine where determined in the Crystal Structure of the G359F (Small Subunit) Point Mutant of Carbamoyl Phosphate Synthetase, PDB code: 1m6v:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 28 in the Crystal Structure of the G359F (Small Subunit) Point Mutant of Carbamoyl Phosphate Synthetase


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 G359F (Small Subunit) Point Mutant of Carbamoyl Phosphate Synthetase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl4015 b:23.8 occ:1.00 O A:HOH4048 2.9 31.7 1.0 O A:HOH4093 3.0 24.9 1.0 N A:MET174 3.2 25.6 1.0 O A:HOH4047 3.2 14.6 1.0 CA A:THR173 3.6 27.4 1.0 C4 A:NET4012 3.8 19.2 1.0 CB A:THR173 3.8 27.7 1.0 CG A:GLN93 3.8 23.0 1.0 C A:THR173 3.8 31.2 1.0 OG A:SER177 3.9 27.7 1.0 CB A:GLN93 4.0 16.4 1.0 CB A:SER177 4.1 11.4 1.0 C1 A:NET4012 4.1 12.2 1.0 CG A:MET174 4.1 19.6 1.0 O A:MET174 4.1 28.3 1.0 C2 A:NET4012 4.2 25.4 1.0 CG2 A:THR173 4.2 14.8 1.0 CA A:MET174 4.3 9.3 1.0 O A:HOH4094 4.5 22.4 1.0 O A:PHE172 4.6 18.2 1.0 C A:MET174 4.6 14.8 1.0 CD A:GLN93 4.6 28.9 1.0 CB A:MET174 4.7 13.5 1.0 N A:THR173 4.8 22.6 1.0 SD A:MET174 4.9 34.5 1.0 OE1 A:GLN93 4.9 21.5 1.0 OG1 A:THR173 5.0 36.6 1.0 C3 A:NET4012 5.0 19.2 1.0

Chlorine binding site 2 out of 28 in the Crystal Structure of the G359F (Small Subunit) Point Mutant of Carbamoyl Phosphate Synthetase


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 G359F (Small Subunit) Point Mutant of Carbamoyl Phosphate Synthetase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl4016 b:39.2 occ:1.00 ND2 A:ASN289 3.1 21.8 1.0 ND2 A:ASN292 3.3 24.9 1.0 O A:HOH4770 3.3 64.7 1.0 NH1 A:ARG294 3.5 79.4 1.0 CD A:ARG294 3.7 20.6 1.0 CZ2 A:TRP213 4.0 25.1 1.0 CH2 A:TRP213 4.1 20.7 1.0 CG A:ASN292 4.2 28.4 1.0 CG A:ASN289 4.3 38.7 1.0 OD1 A:ASN292 4.3 38.5 1.0 CZ A:ARG294 4.3 66.6 1.0 CB A:ARG294 4.5 10.4 1.0 NE A:ARG294 4.5 44.8 1.0 O A:HOH4260 4.5 41.6 1.0 CB A:ASN289 4.5 20.4 1.0 O A:HOH4524 4.6 62.0 1.0 O A:HOH4188 4.7 46.5 1.0 CG A:ARG294 4.8 15.2 1.0 O A:HOH4523 5.0 45.7 1.0

Chlorine binding site 3 out of 28 in the Crystal Structure of the G359F (Small Subunit) Point Mutant of Carbamoyl Phosphate Synthetase


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 G359F (Small Subunit) Point Mutant of Carbamoyl Phosphate Synthetase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl4017 b:39.5 occ:1.00 O A:HOH4167 3.1 34.4 1.0 N A:GLY902 3.1 34.9 1.0 N A:ASN371 3.2 23.3 1.0 CD A:PRO901 3.5 26.2 1.0 CA A:PHE900 3.6 23.0 1.0 C A:PHE900 3.6 19.3 1.0 N A:PRO901 3.7 37.7 1.0 CA A:ALA370 3.7 23.7 1.0 CA A:GLY902 3.7 29.4 1.0 CB A:ASN371 3.9 18.1 1.0 C A:ALA370 4.0 35.2 1.0 O A:HOH4286 4.0 57.0 1.0 CB A:PHE900 4.1 23.9 1.0 CG A:PRO901 4.1 50.0 1.0 CA A:ASN371 4.2 19.1 1.0 O A:PHE900 4.2 38.0 1.0 C A:PRO901 4.2 42.5 1.0 CB A:ALA370 4.2 23.6 1.0 CA A:PRO901 4.4 45.8 1.0 O A:GLY369 4.5 60.9 1.0 C A:GLY902 4.7 41.7 1.0 CB A:PRO901 4.7 37.4 1.0 N A:ALA370 4.7 29.8 1.0 O A:ASN371 4.8 28.1 1.0 CD1 A:PHE900 4.8 21.8 1.0 N A:VAL903 4.8 35.1 1.0 N A:PHE900 4.9 24.0 1.0 C A:ASN371 5.0 22.7 1.0 O A:LYS899 5.0 22.5 1.0 CG A:PHE900 5.0 22.7 1.0

Chlorine binding site 4 out of 28 in the Crystal Structure of the G359F (Small Subunit) Point Mutant of Carbamoyl Phosphate Synthetase


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 G359F (Small Subunit) Point Mutant of Carbamoyl Phosphate Synthetase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl4018 b:58.5 occ:1.00 NZ A:LYS475 3.1 42.7 1.0 ND2 A:ASN485 3.5 34.6 1.0 CE A:LYS475 3.6 28.4 1.0 CB A:PHE488 3.7 28.4 1.0 CG A:PHE488 3.9 22.4 1.0 CD2 A:PHE488 4.3 17.2 1.0 CD1 A:PHE488 4.4 26.1 1.0 CG A:ASN485 4.5 99.8 1.0 O A:HOH4569 4.5 51.4 1.0 OD1 A:ASN485 4.6 43.0 1.0 O A:GLY483 4.7 37.8 1.0 CA A:PHE488 4.8 31.6 1.0

Chlorine binding site 5 out of 28 in the Crystal Structure of the G359F (Small Subunit) Point Mutant of Carbamoyl Phosphate Synthetase


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 G359F (Small Subunit) Point Mutant of Carbamoyl Phosphate Synthetase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl4020 b:45.5 occ:1.00 N A:ARG848 3.1 30.1 1.0 CZ A:ARG848 3.5 43.9 1.0 NH1 A:ARG848 3.5 22.2 1.0 CB A:ALA847 3.5 19.8 1.0 CA A:ALA847 3.5 26.7 1.0 CZ A:PHE578 3.5 28.3 1.0 CG A:ARG848 3.6 30.0 1.0 NH1 A:ARG845 3.7 43.5 1.0 NH2 A:ARG848 3.7 17.3 1.0 NH2 A:ARG845 3.8 50.0 1.0 C A:ALA847 3.8 30.0 1.0 CB A:ARG848 3.8 20.0 1.0 NE A:ARG848 3.9 31.4 1.0 CE1 A:PHE578 3.9 29.7 1.0 CA A:ARG848 4.0 27.2 1.0 CZ A:ARG845 4.2 53.6 1.0 O A:HOH4432 4.2 27.4 1.0 CD A:ARG848 4.3 30.0 1.0 O A:HOH4638 4.5 30.9 1.0 O A:ALA846 4.7 22.5 1.0 CE2 A:PHE578 4.7 36.4 1.0 N A:ALA847 4.9 23.5 1.0 O A:HOH4452 4.9 43.9 1.0

Chlorine binding site 6 out of 28 in the Crystal Structure of the G359F (Small Subunit) Point Mutant of Carbamoyl Phosphate Synthetase


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 G359F (Small Subunit) Point Mutant of Carbamoyl Phosphate Synthetase within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl4019 b:33.0 occ:1.00 O B:HOH4041 3.1 32.4 1.0 O A:HOH4363 3.1 28.9 1.0 N B:ASP114 3.2 28.5 1.0 O B:HOH4043 3.3 38.8 1.0 CB B:ILE113 3.6 30.0 1.0 CA B:ILE113 3.7 20.8 1.0 CD1 B:PHE15 3.7 41.0 1.0 CG A:GLU549 3.8 48.2 1.0 CB B:ASP114 3.8 20.0 1.0 C B:ILE113 4.0 25.9 1.0 CB B:PHE15 4.1 18.8 1.0 CA B:ASP114 4.2 17.2 1.0 CG2 B:ILE113 4.2 36.7 1.0 CA B:PHE15 4.2 21.3 1.0 O B:HOH4042 4.2 47.3 1.0 K B:K4014 4.3 42.8 1.0 N B:HIS16 4.3 23.7 1.0 CG B:PHE15 4.4 20.1 1.0 O B:HIS16 4.5 29.7 1.0 C B:PHE15 4.6 25.5 1.0 CB A:GLU549 4.7 34.2 1.0 CE1 B:PHE15 4.7 38.8 1.0 CG1 B:ILE113 4.7 21.6 1.0 CD1 B:ILE113 4.7 44.1 1.0 CD A:GLU549 4.8 0.0 1.0 O A:HOH4362 4.9 29.9 1.0 O B:GLN14 5.0 35.2 1.0

Chlorine binding site 7 out of 28 in the Crystal Structure of the G359F (Small Subunit) Point Mutant of Carbamoyl Phosphate Synthetase


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 G359F (Small Subunit) Point Mutant of Carbamoyl Phosphate Synthetase within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl4036 b:26.5 occ:1.00 O C:HOH4115 3.1 17.3 1.0 O C:HOH4070 3.1 29.5 1.0 O C:HOH4069 3.2 23.8 1.0 N C:MET174 3.5 30.1 1.0 C4 C:NET4032 3.6 21.4 1.0 CG C:GLN93 3.8 17.5 1.0 CA C:THR173 3.8 20.5 1.0 CB C:THR173 3.9 21.5 1.0 CB C:GLN93 3.9 13.8 1.0 C1 C:NET4032 3.9 15.2 1.0 O C:MET174 4.0 21.4 1.0 CG C:MET174 4.1 18.8 1.0 C C:THR173 4.1 28.1 1.0 OG C:SER177 4.1 26.9 1.0 CB C:SER177 4.2 14.0 1.0 C2 C:NET4032 4.2 21.3 1.0 CG2 C:THR173 4.4 15.4 1.0 CA C:MET174 4.4 32.3 1.0 C C:MET174 4.6 28.4 1.0 O C:HOH4116 4.6 28.2 1.0 CD C:GLN93 4.7 26.9 1.0 O C:PHE172 4.7 19.3 1.0 OE1 C:GLN93 4.8 38.4 1.0 C3 C:NET4032 4.8 30.2 1.0 CB C:MET174 4.9 20.7 1.0 N1 C:NET4032 4.9 26.5 1.0 OG1 C:THR173 5.0 24.3 1.0 O C:HOH4067 5.0 23.7 1.0 SD C:MET174 5.0 24.4 1.0

Chlorine binding site 8 out of 28 in the Crystal Structure of the G359F (Small Subunit) Point Mutant of Carbamoyl Phosphate Synthetase


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 G359F (Small Subunit) Point Mutant of Carbamoyl Phosphate Synthetase within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl4037 b:81.8 occ:1.00 N C:TRP71 3.2 15.2 1.0 O C:HOH4632 3.8 62.3 1.0 CB C:TRP71 3.9 46.2 1.0 O C:HOH4106 3.9 43.1 1.0 CA C:HIS70 4.0 24.4 1.0 C C:HIS70 4.0 28.6 1.0 O C:ILE69 4.0 29.6 1.0 CD1 C:TRP71 4.1 41.3 1.0 CA C:TRP71 4.1 25.8 1.0 CG C:TRP71 4.4 39.6 1.0 SG C:CYS98 4.5 34.9 1.0 CA C:CYS98 4.5 14.2 1.0 CB C:GLU101 4.6 17.1 1.0 CB C:CYS98 4.6 22.1 1.0 CG C:GLU101 4.7 34.2 1.0 CG C:HIS70 4.8 38.5 1.0 C C:ILE69 4.8 33.8 1.0 N C:HIS70 4.8 46.9 1.0 CD2 C:HIS70 4.8 32.9 1.0 O C:HOH4058 4.9 32.8 1.0 CB C:HIS70 5.0 29.6 1.0

Chlorine binding site 9 out of 28 in the Crystal Structure of the G359F (Small Subunit) Point Mutant of Carbamoyl Phosphate Synthetase


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 G359F (Small Subunit) Point Mutant of Carbamoyl Phosphate Synthetase within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl4038 b:33.2 occ:1.00 ND2 C:ASN289 3.1 22.3 1.0 NH1 C:ARG294 3.3 80.6 1.0 ND2 C:ASN292 3.4 21.8 1.0 CD C:ARG294 3.5 36.5 1.0 CZ2 C:TRP213 3.9 25.5 1.0 CZ C:ARG294 3.9 69.2 1.0 NE C:ARG294 4.0 46.7 1.0 CH2 C:TRP213 4.1 13.9 1.0 O C:HOH4275 4.1 53.5 1.0 CG C:ASN289 4.2 29.5 1.0 CG C:ASN292 4.4 27.2 1.0 CB C:ARG294 4.4 22.5 1.0 OD1 C:ASN292 4.4 26.0 1.0 CG C:ARG294 4.5 16.9 1.0 CB C:ASN289 4.5 20.0 1.0 O C:HOH4539 4.6 44.8 1.0 O C:HOH4623 4.8 92.9 1.0 NH2 C:ARG294 5.0 99.5 1.0

Chlorine binding site 10 out of 28 in the Crystal Structure of the G359F (Small Subunit) Point Mutant of Carbamoyl Phosphate Synthetase


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 G359F (Small Subunit) Point Mutant of Carbamoyl Phosphate Synthetase within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl4039 b:45.5 occ:1.00 N C:GLY902 3.1 23.3 1.0 N C:ASN371 3.2 18.5 1.0 CD C:PRO901 3.4 27.9 1.0 C C:PHE900 3.6 30.3 1.0 N C:PRO901 3.6 24.1 1.0 CA C:ALA370 3.6 34.9 1.0 CA C:PHE900 3.7 17.9 1.0 CA C:GLY902 3.7 40.6 1.0 O C:HOH4185 3.9 35.2 1.0 O C:HOH4529 3.9 54.9 1.0 C C:ALA370 3.9 25.7 1.0 CB C:ASN371 4.0 18.1 1.0 O C:PHE900 4.1 29.9 1.0 CB C:PHE900 4.1 23.6 1.0 C C:PRO901 4.1 33.5 1.0 CG C:PRO901 4.2 35.3 1.0 CB C:ALA370 4.2 25.5 1.0 CA C:PRO901 4.2 34.0 1.0 CA C:ASN371 4.2 18.4 1.0 O C:GLY369 4.3 70.2 1.0 CB C:PRO901 4.5 36.4 1.0 C C:GLY902 4.6 38.5 1.0 N C:ALA370 4.7 39.2 1.0 O C:HOH4624 4.9 75.3 1.0 O C:ASN371 4.9 22.5 1.0 C C:GLY369 4.9 45.4 1.0 N C:VAL903 4.9 37.4 1.0

J.B.Thoden, X.Huang, F.M.Raushel, H.M.Holden. Carbamoyl-Phosphate Synthetase. Creation of An Escape Route For Ammonia J.Biol.Chem. V. 277 39722 2002.
ISSN: ISSN 0021-9258
PubMed: 12130656
DOI: 10.1074/JBC.M206915200