Chlorine in PDB 6grh: E. Coli Microcin Synthetase Mcbbcd Complex with Truncated Pro-MCCB17 Bound

The structure of E. Coli Microcin Synthetase Mcbbcd Complex with Truncated Pro-MCCB17 Bound, PDB code: 6grh 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)	57.54 / 1.85
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	180.740, 83.760, 87.120, 90.00, 91.33, 90.00
R / Rfree (%)	17.2 / 20.7

The structure of E. Coli Microcin Synthetase Mcbbcd Complex with Truncated Pro-MCCB17 Bound also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Chlorine atom in the E. Coli Microcin Synthetase Mcbbcd Complex with Truncated Pro-MCCB17 Bound (pdb code 6grh). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the E. Coli Microcin Synthetase Mcbbcd Complex with Truncated Pro-MCCB17 Bound, PDB code: 6grh:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the E. Coli Microcin Synthetase Mcbbcd Complex with Truncated Pro-MCCB17 Bound


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 with Truncated Pro-MCCB17 Bound within 5.0Å range: probe atom residue distance (Å) B Occ 1:Cl403 b:60.8 occ:1.00 NH2 1:ARG155 3.4 48.6 1.0 NZ 1:LYS159 3.7 47.8 1.0 CE 1:LYS159 3.7 44.3 1.0 N 1:ASN132 3.8 66.8 1.0 CD 1:LYS159 3.8 42.6 1.0 NE 1:ARG155 3.9 45.8 1.0 CZ 1:ARG155 4.1 47.4 1.0 CA 1:ASN131 4.3 65.8 1.0 C 1:ASN131 4.5 66.3 1.0 CA 1:ASN132 4.6 67.8 1.0 ND2 1:ASN131 4.7 69.6 1.0 N 1:ILE133 4.7 62.7 1.0 O 1:ASP130 4.8 58.8 1.0 CG 1:LYS159 4.8 41.2 1.0 CB 1:ASN131 5.0 69.4 1.0

Chlorine binding site 2 out of 2 in the E. Coli Microcin Synthetase Mcbbcd Complex with Truncated Pro-MCCB17 Bound


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 with Truncated Pro-MCCB17 Bound within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl702 b:64.6 occ:1.00 O D:HOH924 2.6 45.6 1.0 N D:ASN249 3.5 40.8 1.0 N D:SER250 3.6 39.9 1.0 CB D:ASN249 3.6 45.5 1.0 CD D:LYS253 3.7 44.0 1.0 CA D:ASN249 4.0 42.8 1.0 CB D:SER250 4.0 40.2 1.0 CB D:ALA248 4.1 35.8 1.0 C D:ASN249 4.3 41.8 1.0 CG D:LYS253 4.4 41.5 1.0 CA D:SER250 4.4 39.9 1.0 ND2 D:ASN249 4.4 50.2 1.0 CE D:LYS253 4.4 45.3 1.0 CG D:ASN249 4.4 48.3 1.0 C D:ALA248 4.5 38.6 1.0 CB D:LYS253 4.5 39.7 1.0 NZ D:LYS253 4.6 46.8 1.0 CA D:ALA248 4.7 36.6 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