Chlorine in PDB 6gri: E. Coli Microcin Synthetase Mcbbcd Complex

The structure of E. Coli Microcin Synthetase Mcbbcd Complex, PDB code: 6gri was solved by D.Ghilarov, C.E.M.Stevenson, D.Y.Travin, J.Piskunova, M.Serebryakova, A.Maxwell, D.M.Lawson, K.Severinov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	91.92 / 2.70
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	183.900, 82.110, 87.530, 90.00, 91.45, 90.00
R / Rfree (%)	18.7 / 25.5

The structure of E. Coli Microcin Synthetase Mcbbcd Complex also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Chlorine atom in the E. Coli Microcin Synthetase Mcbbcd Complex (pdb code 6gri). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the E. Coli Microcin Synthetase Mcbbcd Complex, PDB code: 6gri:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the E. Coli Microcin Synthetase Mcbbcd Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of E. Coli Microcin Synthetase Mcbbcd Complex within 5.0Å range: probe atom residue distance (Å) B Occ 1:Cl403 b:94.1 occ:1.00 NZ 1:LYS159 2.8 81.3 1.0 NH2 1:ARG155 2.8 94.6 1.0 NE 1:ARG155 3.6 90.7 1.0 CE 1:LYS159 3.6 80.2 1.0 CZ 1:ARG155 3.7 92.5 1.0 CD 1:LYS159 3.9 78.1 1.0 N 1:ASN132 4.0 0.9 1.0 CA 1:ASN131 4.4 0.0 1.0 C 1:ASN131 4.7 0.6 1.0 CB 1:ASN131 4.8 0.7 1.0 O 1:ASP130 4.8 89.1 1.0 CG 1:LYS159 4.9 76.0 1.0 NH1 1:ARG155 4.9 86.7 1.0 CD 1:ARG155 4.9 88.4 1.0 CA 1:ASN132 5.0 0.9 1.0

Chlorine binding site 2 out of 3 in the E. Coli Microcin Synthetase Mcbbcd Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of E. Coli Microcin Synthetase Mcbbcd Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl403 b:63.7 occ:1.00 N C:VAL44 3.4 51.7 1.0 CB C:PHE43 3.8 51.9 1.0 N C:SER45 3.9 55.7 1.0 CA C:PHE43 4.0 51.6 1.0 C C:PHE43 4.2 51.7 1.0 CA C:VAL44 4.3 50.8 1.0 CB C:VAL44 4.3 50.6 1.0 C C:VAL44 4.6 52.9 1.0 CB C:SER45 4.7 52.5 1.0 CA C:SER45 4.8 54.6 1.0 CG2 C:VAL44 5.0 52.6 1.0 O C:SER45 5.0 58.3 1.0

Chlorine binding site 3 out of 3 in the E. Coli Microcin Synthetase Mcbbcd Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of E. Coli Microcin Synthetase Mcbbcd Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl601 b:77.9 occ:1.00 N D:ASN249 3.5 66.1 1.0 CB D:ASN249 3.7 73.2 1.0 CD D:LYS253 3.8 88.4 1.0 CB D:ALA248 3.9 56.9 1.0 N D:SER250 4.0 68.5 1.0 NZ D:LYS253 4.1 92.4 1.0 CA D:ASN249 4.1 68.3 1.0 CG D:ASN249 4.2 75.5 1.0 CE D:LYS253 4.3 88.0 1.0 ND2 D:ASN249 4.3 77.5 1.0 C D:ALA248 4.4 63.8 1.0 CA D:ALA248 4.4 57.7 1.0 C D:ASN249 4.6 69.3 1.0 CB D:SER250 4.7 66.9 1.0 OD1 D:ASN249 4.9 83.5 1.0 CG D:LYS253 5.0 87.1 1.0 CA D:SER250 5.0 69.2 1.0

D.Ghilarov, C.E.M.Stevenson, D.Y.Travin, J.Piskunova, M.Serebryakova, A.Maxwell, D.M.Lawson, K.Severinov. Architecture of Microcin B17 Synthetase: An Octameric Protein Complex Converting A Ribosomally Synthesized Peptide Into A Dna Gyrase Poison. Mol. Cell V. 73 749 2019.
ISSN: ISSN 1097-4164
PubMed: 30661981
DOI: 10.1016/J.MOLCEL.2018.11.032