Chlorine in PDB 7ltb: Crystal Structure of Keratinicyclin B

The structure of Crystal Structure of Keratinicyclin B, PDB code: 7ltb was solved by K.M.Davis, P.D.Jeffrey, M.R.Seyedsayamdost, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	21.82 / 0.95
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	24.316, 29.667, 32.209, 90, 90, 90
R / Rfree (%)	14.6 / 15.1

The binding sites of Chlorine atom in the Crystal Structure of Keratinicyclin B (pdb code 7ltb). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Keratinicyclin B, PDB code: 7ltb:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Keratinicyclin B


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 Keratinicyclin B within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl6 b:9.1 occ:0.85 CL A:OMY6 0.0 9.1 0.8 CE1 A:OMY6 1.7 8.0 1.0 CZ A:OMY6 2.7 7.5 1.0 CD1 A:OMY6 2.7 7.7 1.0 HD1 A:OMY6 2.8 9.3 1.0 H31 F:Z6G2 2.9 14.0 1.0 OCZ A:OMY6 2.9 7.7 1.0 H12N F:Z6G2 3.0 15.2 1.0 C5 A:GHP4 3.3 7.6 1.0 H6 A:GHP4 3.5 8.9 1.0 C6 A:GHP4 3.6 7.4 1.0 O A:HOH218 3.6 20.3 1.0 H2O F:Z6G2 3.7 14.2 1.0 O2 F:Z6G2 3.7 11.8 1.0 C3 F:Z6G2 3.7 11.7 1.0 N1 F:Z6G2 3.8 12.7 1.0 O A:HOH204 3.9 13.4 1.0 CE2 A:OMY6 4.0 7.8 1.0 CG A:OMY6 4.0 7.6 1.0 C4 A:GHP4 4.2 7.6 1.0 O A:HOH220 4.3 30.3 1.0 H11N F:Z6G2 4.3 15.2 1.0 C4 F:Z6G2 4.3 11.1 1.0 H51 F:Z6G2 4.4 12.3 1.0 O A:GHP4 4.4 7.6 1.0 H61 J:Z6G2 4.4 15.4 1.0 CD2 A:OMY6 4.5 7.6 1.0 HN'3 F:Z6G2 4.6 15.2 1.0 C1 A:GHP4 4.6 7.5 1.0 O4 A:GHP4 4.6 7.7 1.0 H63 J:Z6G2 4.6 15.4 1.0 H62 J:Z6G2 4.8 15.4 1.0 HE2 A:OMY6 4.8 9.3 1.0 HA A:GHP5 4.8 8.7 1.0 C6 J:Z6G2 4.9 12.8 1.0 C5 F:Z6G2 5.0 10.3 1.0 H1 F:BGC1 5.0 10.2 1.0 C A:GHP4 5.0 7.4 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Keratinicyclin B


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 Keratinicyclin B within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl6 b:9.7 occ:0.82 CL B:OMY6 0.0 9.7 0.8 CE1 B:OMY6 1.7 8.1 1.0 HO6 J:BGC1 2.2 19.4 1.0 CZ B:OMY6 2.7 7.7 1.0 CD1 B:OMY6 2.7 8.0 1.0 HD1 B:OMY6 2.8 9.6 1.0 H62 F:BGC1 2.9 14.2 0.3 OCZ B:OMY6 3.0 8.0 1.0 H61 F:BGC1 3.0 14.2 0.8 O6 J:BGC1 3.1 16.2 0.7 H62 J:BGC1 3.4 18.2 1.0 C5 B:GHP4 3.5 7.5 1.0 O B:HOH212 3.5 29.2 1.0 O5 J:BGC1 3.6 11.9 1.0 C6 J:BGC1 3.7 15.1 1.0 H6 B:GHP4 3.9 8.6 1.0 C6 B:GHP4 3.9 7.2 1.0 CE2 B:OMY6 4.0 7.8 1.0 CG B:OMY6 4.0 7.9 1.0 C6 F:BGC1 4.0 11.8 1.0 H62 F:BGC1 4.0 14.2 0.8 C5 J:BGC1 4.3 13.2 1.0 C4 B:GHP4 4.3 7.9 1.0 HO6 F:BGC1 4.4 14.4 0.3 O6 F:BGC1 4.5 12.1 0.3 H61 F:BGC1 4.5 14.2 0.3 CD2 B:OMY6 4.5 7.9 1.0 H5 F:BGC1 4.5 12.3 1.0 O4 B:GHP4 4.6 8.6 1.0 O B:HOH220 4.6 10.4 0.4 C1 J:BGC1 4.6 10.1 1.0 H5 J:BGC1 4.7 15.8 1.0 H61 J:BGC1 4.7 18.2 1.0 HA B:GHP5 4.7 8.9 1.0 O6 F:BGC1 4.8 12.4 0.8 HE2 B:OMY6 4.8 9.3 1.0 C5 F:BGC1 4.9 10.2 1.0 HA B:OMY6 5.0 9.1 1.0 H1 J:BGC1 5.0 12.1 1.0

K.L.Mcwhorter, V.T.Chioti, F.Xu, P.D.Jeffrey, K.M.Davis, M.R.Seyedsayamdost. Structural and Functional Analysis of Keratinicyclin Reveals Synergistic Antibiosis with Vancomycin Against Clostridium Difficile To Be Published.