Chlorine in PDB 5jff: E. Coli Ecfict Mutant G55R in Complex with Ecfica

The structure of E. Coli Ecfict Mutant G55R in Complex with Ecfica, PDB code: 5jff 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)	90.66 / 2.00
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	104.690, 104.690, 110.520, 90.00, 90.00, 120.00
R / Rfree (%)	16.2 / 19.4

The binding sites of Chlorine atom in the E. Coli Ecfict Mutant G55R in Complex with Ecfica (pdb code 5jff). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the E. Coli Ecfict Mutant G55R in Complex with Ecfica, PDB code: 5jff:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in the E. Coli Ecfict Mutant G55R in Complex with Ecfica


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of E. Coli Ecfict Mutant G55R in Complex with Ecfica within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:28.3 occ:1.00 O A:HOH531 2.9 28.1 1.0 N A:ARG55 3.2 22.1 1.0 N A:HIS58 3.3 20.0 1.0 CB A:ARG55 3.6 25.7 1.0 CB A:HIS58 3.7 18.6 1.0 CA A:ARG55 3.8 24.3 1.0 CB A:PRO57 3.9 26.1 1.0 CD A:PRO57 3.9 25.7 1.0 O A:ARG55 3.9 20.0 1.0 C A:ARG55 4.0 22.7 1.0 CA A:HIS58 4.0 18.7 1.0 C A:PRO57 4.1 21.5 1.0 N A:PRO57 4.1 20.8 1.0 C A:ARG54 4.2 22.5 1.0 CG A:PRO57 4.2 27.0 1.0 CG A:ARG55 4.2 31.1 1.0 CA A:ARG54 4.2 21.9 1.0 CA A:PRO57 4.3 22.9 1.0 O A:VAL53 4.5 22.2 1.0 N A:LEU56 4.7 21.6 1.0 O A:HOH486 4.7 44.8 1.0 CD A:ARG55 4.9 32.7 1.0 C A:LEU56 5.0 22.2 1.0 N A:ARG54 5.0 21.4 1.0 NH1 A:ARG55 5.0 33.7 1.0

Chlorine binding site 2 out of 6 in the E. Coli Ecfict Mutant G55R in Complex with Ecfica


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of E. Coli Ecfict Mutant G55R in Complex with Ecfica within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:36.8 occ:1.00 N A:HIS27 3.2 28.1 1.0 NH1 A:ARG31 3.4 52.1 1.0 N A:GLN28 3.6 25.1 1.0 CG A:GLN28 3.9 31.8 1.0 CA A:HIS27 3.9 33.2 1.0 CG2 A:ILE26 4.0 25.5 1.0 CA A:ILE26 4.0 28.8 1.0 CD A:ARG31 4.0 42.8 1.0 C A:ILE26 4.1 28.7 1.0 C A:HIS27 4.1 30.4 1.0 CB A:GLN28 4.1 28.3 1.0 CB A:HIS27 4.1 37.5 1.0 NE2 A:GLN28 4.2 39.2 1.0 CD A:GLN28 4.4 36.4 1.0 CZ A:ARG31 4.4 43.3 1.0 CB A:ILE26 4.5 27.6 1.0 CA A:GLN28 4.5 24.7 1.0 NE A:ARG31 4.6 45.1 1.0 O A:ASN25 4.8 41.9 1.0 CG A:ARG31 4.8 36.0 1.0 CG1 A:ILE26 5.0 26.4 1.0

Chlorine binding site 3 out of 6 in the E. Coli Ecfict Mutant G55R in Complex with Ecfica


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of E. Coli Ecfict Mutant G55R in Complex with Ecfica within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl101 b:27.7 occ:1.00 OH A:TYR67 3.0 19.5 1.0 O A:HOH556 3.0 40.4 1.0 NH2 B:ARG25 3.3 21.2 1.0 NH1 B:ARG25 3.3 21.8 1.0 CZ B:ARG25 3.7 24.5 1.0 CE1 A:TYR67 3.8 17.3 1.0 CZ A:TYR67 3.8 18.5 1.0 CG1 A:VAL139 3.9 26.4 1.0 CB A:ALA36 4.0 20.8 1.0 CD1 A:TYR37 4.6 21.6 1.0 CE1 A:TYR37 4.6 23.6 1.0 CD1 A:LEU143 4.6 18.7 1.0 CG2 A:THR40 4.8 17.1 1.0 C A:ALA36 4.8 20.2 1.0 O A:ALA36 5.0 17.3 1.0

Chlorine binding site 4 out of 6 in the E. Coli Ecfict Mutant G55R in Complex with Ecfica


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of E. Coli Ecfict Mutant G55R in Complex with Ecfica within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl301 b:62.4 occ:1.00 CB C:SER190 3.5 38.8 1.0 CE C:LYS117 3.7 51.6 1.0 CG2 C:VAL121 4.0 31.7 1.0 CA C:ALA118 4.0 43.0 1.0 CA C:SER190 4.1 34.7 1.0 CB C:VAL121 4.3 30.9 1.0 CD C:LYS117 4.3 54.8 1.0 CG C:LYS117 4.4 54.8 1.0 CG1 C:VAL121 4.4 31.4 1.0 N C:ALA118 4.4 40.8 1.0 NZ C:LYS117 4.5 50.7 1.0 CB C:ALA118 4.5 45.1 1.0 O C:LYS117 4.6 41.0 1.0 C C:LYS117 4.6 42.5 1.0 OG C:SER190 4.7 50.9 1.0 O C:SER190 4.9 33.0 1.0

Chlorine binding site 5 out of 6 in the E. Coli Ecfict Mutant G55R in Complex with Ecfica


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of E. Coli Ecfict Mutant G55R in Complex with Ecfica within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl302 b:74.8 occ:1.00 CD C:ARG21 3.1 60.2 1.0 NH1 C:ARG21 3.2 66.4 1.0 O C:LEU13 3.3 52.4 1.0 CB C:ARG21 3.5 45.7 1.0 CG C:ARG21 3.7 54.7 1.0 NE C:ARG21 3.9 73.8 1.0 CZ C:ARG21 4.0 69.2 1.0 C C:LEU13 4.1 48.2 1.0 CA C:TYR14 4.2 53.6 1.0 CD C:PRO15 4.3 69.1 1.0 N C:TYR14 4.4 50.3 1.0 O C:PRO11 4.6 44.9 1.0 CD1 C:TYR14 4.7 42.5 1.0 O C:TYR12 4.8 41.0 1.0 CA C:ARG21 4.8 38.0 1.0 C C:TYR12 5.0 43.5 1.0 C C:TYR14 5.0 56.6 1.0 N C:PRO15 5.0 64.8 1.0

Chlorine binding site 6 out of 6 in the E. Coli Ecfict Mutant G55R in Complex with Ecfica


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of E. Coli Ecfict Mutant G55R in Complex with Ecfica within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl101 b:26.6 occ:1.00 O D:HOH256 3.0 37.0 1.0 OH C:TYR67 3.0 25.0 1.0 NH2 D:ARG25 3.2 23.9 1.0 NH1 D:ARG25 3.3 21.4 1.0 CE1 C:TYR67 3.7 22.2 1.0 CZ D:ARG25 3.7 20.4 1.0 CG1 C:VAL139 3.8 28.6 1.0 CZ C:TYR67 3.8 22.3 1.0 CB C:ALA36 4.1 25.3 1.0 CE1 C:TYR37 4.3 26.7 1.0 CD1 C:TYR37 4.4 26.1 1.0 CD1 C:LEU143 4.9 25.8 1.0 CD1 C:TYR67 5.0 21.4 1.0 O C:HOH468 5.0 39.8 1.0

F.V.Stanger, A.Harms, C.Dehio, T.Schirmer. Crystal Structure of the Escherichia Coli Fic Toxin-Like Protein in Complex with Its Cognate Antitoxin. Plos One V. 11 63654 2016.
ISSN: ESSN 1932-6203
PubMed: 27657533
DOI: 10.1371/JOURNAL.PONE.0163654