Chlorine in PDB 1kee: Inactivation of the Amidotransferase Activity of Carbamoyl Phosphate Synthetase By the Antibiotic Acivicin

All present enzymatic activity of Inactivation of the Amidotransferase Activity of Carbamoyl Phosphate Synthetase By the Antibiotic Acivicin:
6.3.5.5;

The structure of Inactivation of the Amidotransferase Activity of Carbamoyl Phosphate Synthetase By the Antibiotic Acivicin, PDB code: 1kee was solved by B.W.Miles, J.B.Thoden, H.M.Holden, F.M.Raushel, 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 (°)	152.400, 164.400, 333.200, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

The structure of Inactivation of the Amidotransferase Activity of Carbamoyl Phosphate Synthetase By the Antibiotic Acivicin also contains other interesting chemical elements:

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

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 22;

Binding sites:

The binding sites of Chlorine atom in the Inactivation of the Amidotransferase Activity of Carbamoyl Phosphate Synthetase By the Antibiotic Acivicin (pdb code 1kee). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 22 binding sites of Chlorine where determined in the Inactivation of the Amidotransferase Activity of Carbamoyl Phosphate Synthetase By the Antibiotic Acivicin, PDB code: 1kee:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 22 in the Inactivation of the Amidotransferase Activity of Carbamoyl Phosphate Synthetase By the Antibiotic Acivicin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Inactivation of the Amidotransferase Activity of Carbamoyl Phosphate Synthetase By the Antibiotic Acivicin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl5017 b:29.1 occ:1.00 O A:HOH5095 3.0 27.8 1.0 O A:HOH5047 3.1 23.2 1.0 O A:HOH5093 3.1 27.3 1.0 CG A:GLN93 3.4 27.9 1.0 N A:MET174 3.5 32.7 1.0 CA A:THR173 3.7 48.8 1.0 CB A:GLN93 3.7 23.8 1.0 C1 A:NET5012 3.8 36.4 1.0 C4 A:NET5012 3.9 20.5 1.0 CB A:THR173 3.9 29.9 1.0 OG A:SER177 4.0 37.4 1.0 C A:THR173 4.0 38.5 1.0 O A:MET174 4.1 27.6 1.0 C2 A:NET5012 4.1 21.2 1.0 CB A:SER177 4.1 23.6 1.0 O A:HOH5094 4.3 28.8 1.0 CG2 A:THR173 4.3 18.2 1.0 CG A:MET174 4.4 24.1 1.0 CD A:GLN93 4.5 31.6 1.0 CA A:MET174 4.5 28.8 1.0 O A:PHE172 4.6 26.4 1.0 C A:MET174 4.7 27.3 1.0 N A:THR173 4.8 44.1 1.0 OE1 A:GLN93 4.9 19.6 1.0 O A:HOH5046 5.0 25.4 1.0 SD A:MET174 5.0 34.0 1.0

Chlorine binding site 2 out of 22 in the Inactivation of the Amidotransferase Activity of Carbamoyl Phosphate Synthetase By the Antibiotic Acivicin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Inactivation of the Amidotransferase Activity of Carbamoyl Phosphate Synthetase By the Antibiotic Acivicin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl5018 b:34.5 occ:1.00 ND2 A:ASN292 3.3 22.1 1.0 ND2 A:ASN289 3.4 24.3 1.0 NH1 A:ARG294 3.5 74.1 1.0 CD A:ARG294 3.5 25.0 1.0 CZ A:ARG294 4.0 0.0 1.0 NE A:ARG294 4.0 59.6 1.0 CZ2 A:TRP213 4.2 20.4 1.0 CH2 A:TRP213 4.3 24.0 1.0 CG A:ASN292 4.3 20.1 1.0 CG A:ASN289 4.5 25.4 1.0 OD1 A:ASN292 4.5 26.8 1.0 CB A:ARG294 4.5 19.0 1.0 O A:HOH5280 4.6 57.6 1.0 CG A:ARG294 4.7 14.1 1.0 CB A:ASN289 4.7 20.4 1.0 O A:HOH5622 4.8 42.5 1.0

Chlorine binding site 3 out of 22 in the Inactivation of the Amidotransferase Activity of Carbamoyl Phosphate Synthetase By the Antibiotic Acivicin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Inactivation of the Amidotransferase Activity of Carbamoyl Phosphate Synthetase By the Antibiotic Acivicin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl5019 b:40.4 occ:1.00 N A:GLY902 3.2 33.8 1.0 O A:HOH5317 3.2 32.6 1.0 N A:ASN371 3.4 31.1 1.0 CD A:PRO901 3.5 30.2 1.0 N A:PRO901 3.5 35.6 1.0 CA A:PHE900 3.5 22.3 1.0 C A:PHE900 3.5 24.5 1.0 CA A:ALA370 3.8 25.9 1.0 CB A:ALA370 3.9 19.9 1.0 CA A:GLY902 4.0 52.4 1.0 CB A:PHE900 4.0 19.5 1.0 CB A:ASN371 4.0 19.2 1.0 O A:PHE900 4.1 45.0 1.0 C A:ALA370 4.1 22.2 1.0 C A:PRO901 4.2 35.6 1.0 CA A:PRO901 4.2 38.1 1.0 CG A:PRO901 4.2 50.9 1.0 CA A:ASN371 4.3 20.3 1.0 O A:GLY369 4.6 47.1 1.0 CB A:PRO901 4.6 81.8 1.0 N A:PHE900 4.7 22.5 1.0 O A:ASN371 4.8 23.6 1.0 CD1 A:PHE900 4.8 44.5 1.0 N A:VAL903 4.8 36.7 1.0 O A:LYS899 4.8 28.6 1.0 O A:HOH5315 4.8 79.0 1.0 CG A:PHE900 4.9 29.7 1.0 C A:GLY902 4.9 25.6 1.0 N A:ALA370 5.0 46.3 1.0

Chlorine binding site 4 out of 22 in the Inactivation of the Amidotransferase Activity of Carbamoyl Phosphate Synthetase By the Antibiotic Acivicin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Inactivation of the Amidotransferase Activity of Carbamoyl Phosphate Synthetase By the Antibiotic Acivicin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl5020 b:61.5 occ:1.00 NZ A:LYS475 3.0 24.9 1.0 O A:HOH5692 3.5 40.4 1.0 ND2 A:ASN485 3.6 40.8 1.0 CB A:PHE488 3.8 18.4 1.0 CE A:LYS475 3.8 30.9 1.0 CG A:PHE488 4.1 23.0 1.0 OD1 A:ASN485 4.2 43.2 1.0 CG A:ASN485 4.3 56.8 1.0 CD2 A:PHE488 4.5 26.5 1.0 CD1 A:PHE488 4.6 38.4 1.0 O A:HOH5389 4.7 33.1 1.0 CA A:PHE488 4.7 27.9 1.0 O A:HOH5390 4.8 54.9 1.0 N A:PHE488 4.9 22.0 1.0 O A:GLY483 5.0 37.8 1.0

Chlorine binding site 5 out of 22 in the Inactivation of the Amidotransferase Activity of Carbamoyl Phosphate Synthetase By the Antibiotic Acivicin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Inactivation of the Amidotransferase Activity of Carbamoyl Phosphate Synthetase By the Antibiotic Acivicin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl5022 b:74.1 occ:1.00 O A:LYS412 4.3 37.0 1.0 O A:PRO411 4.5 33.6 1.0 O A:HOH5678 4.5 68.5 1.0 C A:LYS412 4.6 31.9 1.0 C A:VAL413 5.0 29.2 1.0

Chlorine binding site 6 out of 22 in the Inactivation of the Amidotransferase Activity of Carbamoyl Phosphate Synthetase By the Antibiotic Acivicin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Inactivation of the Amidotransferase Activity of Carbamoyl Phosphate Synthetase By the Antibiotic Acivicin within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl5021 b:33.8 occ:1.00 O B:HOH5069 3.1 26.3 1.0 O A:HOH5421 3.1 31.4 1.0 O B:HOH5060 3.2 32.7 1.0 N B:ASP114 3.2 21.6 1.0 CG A:GLU549 3.6 47.9 1.0 CD1 B:PHE15 3.7 38.3 1.0 CB B:ILE113 3.8 39.7 1.0 CB B:ASP114 3.8 16.4 1.0 CA B:ILE113 3.9 25.2 1.0 C B:ILE113 4.1 17.5 1.0 CA B:PHE15 4.1 34.0 1.0 CA B:ASP114 4.1 22.0 1.0 CB B:PHE15 4.1 28.6 1.0 O B:HOH5068 4.4 46.4 1.0 N B:HIS16 4.4 32.5 1.0 CG2 B:ILE113 4.4 24.2 1.0 CG B:PHE15 4.4 25.5 1.0 K B:K5016 4.5 45.1 1.0 O B:HIS16 4.5 27.7 1.0 CB A:GLU549 4.6 32.7 1.0 CE1 B:PHE15 4.6 28.9 1.0 C B:PHE15 4.6 24.6 1.0 CD A:GLU549 4.7 0.0 1.0 C B:ASP114 5.0 36.4 1.0

Chlorine binding site 7 out of 22 in the Inactivation of the Amidotransferase Activity of Carbamoyl Phosphate Synthetase By the Antibiotic Acivicin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Inactivation of the Amidotransferase Activity of Carbamoyl Phosphate Synthetase By the Antibiotic Acivicin within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl5039 b:27.6 occ:1.00 O C:HOH5069 3.2 26.3 1.0 O C:HOH5115 3.2 25.0 1.0 O C:HOH5117 3.3 25.5 1.0 N C:MET174 3.4 24.7 1.0 CA C:THR173 3.6 23.0 1.0 CB C:THR173 3.7 24.5 1.0 CG C:GLN93 3.8 21.0 1.0 O C:MET174 3.9 25.4 1.0 C4 C:NET5034 3.9 17.6 1.0 CB C:GLN93 4.0 20.6 1.0 C C:THR173 4.0 29.4 1.0 C1 C:NET5034 4.1 20.8 1.0 OG C:SER177 4.1 25.4 1.0 CB C:SER177 4.1 19.9 1.0 CG C:MET174 4.2 21.1 1.0 C2 C:NET5034 4.3 19.6 1.0 CG2 C:THR173 4.4 20.7 1.0 CA C:MET174 4.4 23.2 1.0 C C:MET174 4.5 34.8 1.0 CD C:GLN93 4.6 27.3 1.0 O C:PHE172 4.6 19.8 1.0 OE1 C:GLN93 4.7 26.6 1.0 O C:HOH5116 4.7 31.9 1.0 OG1 C:THR173 4.8 19.4 1.0 CB C:MET174 4.8 24.6 1.0 N C:THR173 4.8 25.0 1.0

Chlorine binding site 8 out of 22 in the Inactivation of the Amidotransferase Activity of Carbamoyl Phosphate Synthetase By the Antibiotic Acivicin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Inactivation of the Amidotransferase Activity of Carbamoyl Phosphate Synthetase By the Antibiotic Acivicin within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl5040 b:35.9 occ:1.00 ND2 C:ASN289 3.2 22.4 1.0 ND2 C:ASN292 3.3 29.4 1.0 CD C:ARG294 3.3 33.5 1.0 NH1 C:ARG294 3.4 69.9 1.0 CZ2 C:TRP213 3.9 28.7 1.0 NE C:ARG294 4.0 44.1 1.0 CZ C:ARG294 4.0 0.0 1.0 CH2 C:TRP213 4.1 18.7 1.0 O C:HOH5296 4.2 65.8 1.0 CG C:ASN292 4.3 21.4 1.0 CG C:ASN289 4.3 29.0 1.0 CB C:ARG294 4.4 25.0 1.0 OD1 C:ASN292 4.4 22.9 1.0 CG C:ARG294 4.5 21.4 1.0 CB C:ASN289 4.6 22.2 1.0 O C:HOH5166 4.8 48.5 1.0 O C:HOH5622 5.0 56.4 1.0

Chlorine binding site 9 out of 22 in the Inactivation of the Amidotransferase Activity of Carbamoyl Phosphate Synthetase By the Antibiotic Acivicin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Inactivation of the Amidotransferase Activity of Carbamoyl Phosphate Synthetase By the Antibiotic Acivicin within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl5041 b:36.9 occ:1.00 N C:ASN371 3.3 20.3 1.0 N C:GLY902 3.3 31.4 1.0 C C:PHE900 3.5 27.1 1.0 CA C:PHE900 3.5 25.4 1.0 O C:HOH5333 3.5 41.8 1.0 N C:PRO901 3.5 39.4 1.0 CD C:PRO901 3.6 33.7 1.0 CA C:ALA370 3.6 39.4 1.0 CB C:ALA370 3.9 26.8 1.0 CB C:PHE900 3.9 19.7 1.0 C C:ALA370 4.0 42.9 1.0 CA C:GLY902 4.0 31.1 1.0 O C:PHE900 4.0 46.2 1.0 CB C:ASN371 4.1 16.1 1.0 C C:PRO901 4.2 48.9 1.0 CA C:ASN371 4.3 19.2 1.0 CA C:PRO901 4.3 66.9 1.0 CG C:PRO901 4.5 37.8 1.0 O C:ASN371 4.7 17.3 1.0 N C:ALA370 4.8 59.7 1.0 CB C:PRO901 4.8 51.2 1.0 N C:PHE900 4.8 17.6 1.0 C C:GLY902 4.8 36.8 1.0 O C:GLY369 4.9 52.9 1.0 N C:VAL903 4.9 50.5 1.0 CD1 C:PHE900 4.9 23.9 1.0 CG C:PHE900 5.0 33.0 1.0 O C:LYS899 5.0 22.0 1.0

Chlorine binding site 10 out of 22 in the Inactivation of the Amidotransferase Activity of Carbamoyl Phosphate Synthetase By the Antibiotic Acivicin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Inactivation of the Amidotransferase Activity of Carbamoyl Phosphate Synthetase By the Antibiotic Acivicin within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl5042 b:55.6 occ:1.00 ND2 C:ASN485 3.2 42.5 1.0 NZ C:LYS475 3.4 38.7 1.0 CB C:PHE488 3.9 20.5 1.0 CE C:LYS475 4.0 39.6 1.0 CG C:ASN485 4.1 25.7 1.0 CG C:PHE488 4.1 32.7 1.0 OD1 C:ASN485 4.2 46.5 1.0 O C:HOH5678 4.3 55.9 1.0 CD1 C:PHE488 4.5 25.2 1.0 O C:HOH5771 4.5 68.5 1.0 CD2 C:PHE488 4.6 31.1 1.0 CA C:PHE488 4.8 25.4 1.0 O C:GLY483 4.8 41.7 1.0 N C:PHE488 4.9 21.9 1.0

B.W.Miles, J.B.Thoden, H.M.Holden, F.M.Raushel. Inactivation of the Amidotransferase Activity of Carbamoyl Phosphate Synthetase By the Antibiotic Acivicin. J.Biol.Chem. V. 277 4368 2002.
ISSN: ISSN 0021-9258
PubMed: 11729189
DOI: 10.1074/JBC.M108582200