Chlorine in PDB 5ckl: Fic Protein From Neisseria Meningitidis (Nmfic) Mutant E156R in Dimeric Form

The structure of Fic Protein From Neisseria Meningitidis (Nmfic) Mutant E156R in Dimeric Form, PDB code: 5ckl was solved by F.V.Stanger, T.Schirmer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	65.07 / 0.99
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	35.333, 50.538, 130.136, 90.00, 90.00, 90.00
R / Rfree (%)	11.2 / 12.5

The binding sites of Chlorine atom in the Fic Protein From Neisseria Meningitidis (Nmfic) Mutant E156R in Dimeric Form (pdb code 5ckl). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Fic Protein From Neisseria Meningitidis (Nmfic) Mutant E156R in Dimeric Form, PDB code: 5ckl:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Fic Protein From Neisseria Meningitidis (Nmfic) Mutant E156R in Dimeric Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Fic Protein From Neisseria Meningitidis (Nmfic) Mutant E156R in Dimeric Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:63.9 occ:1.00 O A:HOH574 2.7 23.8 1.0 O A:HOH632 2.7 20.1 1.0 O A:HOH561 3.5 22.4 1.0 CB A:ALA98 3.8 7.2 1.0 O A:HOH654 3.8 41.9 1.0 O A:HOH643 4.0 31.6 1.0 CE A:MET88 4.1 8.0 1.0 O A:HOH531 4.3 38.8 1.0 O A:HOH542 4.5 27.6 1.0 O A:HOH384 4.8 7.4 1.0 O A:HOH321 4.9 10.1 1.0

Chlorine binding site 2 out of 3 in the Fic Protein From Neisseria Meningitidis (Nmfic) Mutant E156R in Dimeric Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Fic Protein From Neisseria Meningitidis (Nmfic) Mutant E156R in Dimeric Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:43.3 occ:0.50 O A:HOH428 2.8 18.6 1.0 O A:HOH372 3.0 14.4 1.0 O A:HOH446 3.6 17.7 1.0 O A:HOH644 4.0 20.2 1.0 CA A:ALA73 4.5 6.7 1.0 O A:HOH642 4.5 24.1 0.5 CG2 A:ILE105 4.5 7.3 1.0 O A:HOH642 4.6 14.1 0.5 OH A:TYR77 4.7 7.7 1.0 N A:ALA73 4.9 6.6 1.0 O A:ARG71 4.9 8.5 1.0 CB A:ALA73 4.9 7.5 1.0

Chlorine binding site 3 out of 3 in the Fic Protein From Neisseria Meningitidis (Nmfic) Mutant E156R in Dimeric Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Fic Protein From Neisseria Meningitidis (Nmfic) Mutant E156R in Dimeric Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:8.8 occ:1.00 NE A:ARG115 3.1 7.1 1.0 N A:GLY114 3.2 5.6 1.0 N A:ARG115 3.3 5.2 1.0 CA A:GLY112 3.3 7.2 1.0 C A:GLY112 3.4 6.0 1.0 O A:HOH523 3.4 13.8 1.0 NH2 A:ARG115 3.5 9.0 1.0 N A:ASN113 3.5 5.6 1.0 O A:HOH396 3.6 14.4 1.0 CD A:GLU186 3.6 8.7 1.0 CG A:GLU186 3.6 8.3 1.0 O A:HOH447 3.7 13.9 1.0 CA A:GLY114 3.7 5.7 1.0 CZ A:ARG115 3.7 7.6 1.0 N A:GLY112 3.8 7.0 1.0 OE1 A:GLU186 3.8 12.4 1.0 OE2 A:GLU186 3.9 9.4 1.0 O A:GLY112 3.9 6.4 1.0 CG A:ARG115 3.9 6.6 1.0 O A:HOH504 4.0 11.4 1.0 C A:GLY114 4.0 5.2 1.0 CB A:ARG115 4.0 6.3 1.0 C A:ASN113 4.0 5.3 1.0 CD A:ARG115 4.1 7.3 1.0 CA A:ARG115 4.3 5.5 1.0 CA A:ASN113 4.4 5.5 1.0 CB A:GLU186 4.5 9.0 1.0 O A:ASN113 5.0 5.7 1.0

F.V.Stanger, B.M.Burmann, A.Harms, H.Aragao, A.Mazur, T.Sharpe, C.Dehio, S.Hiller, T.Schirmer. Intrinsic Regulation of Fic-Domain Amp-Transferases By Oligomerization and Automodification. Proc.Natl.Acad.Sci.Usa V. 113 E529 2016.
ISSN: ESSN 1091-6490
PubMed: 26787847
DOI: 10.1073/PNAS.1516930113