Chlorine in PDB 7epi: Crystal Structure of E.Coli Ccdb Mutant S60E

The structure of Crystal Structure of E.Coli Ccdb Mutant S60E, PDB code: 7epi was solved by K.Manjunath, P.Goyal, R.Varadarajan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.93
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	74.81, 36.64, 35.67, 90, 114.97, 90
R / Rfree (%)	17 / 21.4

The binding sites of Chlorine atom in the Crystal Structure of E.Coli Ccdb Mutant S60E (pdb code 7epi). 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 E.Coli Ccdb Mutant S60E, PDB code: 7epi:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of E.Coli Ccdb Mutant S60E


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 E.Coli Ccdb Mutant S60E within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl300 b:11.1 occ:1.00 N A:HIS55 3.2 7.8 1.0 NH1 A:ARG86 3.2 6.7 1.0 NE2 A:HIS85 3.5 6.0 1.0 O A:HOH447 3.5 16.3 1.0 CA A:VAL54 3.7 7.6 1.0 ND1 A:HIS55 3.7 8.0 1.0 CG A:ARG86 3.8 6.6 1.0 C A:VAL54 3.9 7.6 1.0 CB A:VAL54 3.9 7.7 1.0 CD A:ARG86 4.0 6.6 1.0 CB A:HIS55 4.1 7.9 1.0 O A:HIS55 4.1 7.7 1.0 CA A:HIS55 4.1 7.8 1.0 CD2 A:HIS85 4.3 6.1 1.0 CG A:HIS55 4.3 7.9 1.0 CZ A:ARG86 4.4 6.8 1.0 CG1 A:VAL54 4.4 7.6 1.0 CE1 A:HIS85 4.4 6.1 1.0 CD2 A:LEU83 4.5 6.2 1.0 C A:HIS55 4.6 7.9 1.0 NE A:ARG86 4.6 6.7 1.0 CE1 A:HIS55 4.7 7.9 1.0 O A:VAL53 4.9 8.0 1.0 N A:VAL54 5.0 7.7 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of E.Coli Ccdb Mutant S60E


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 E.Coli Ccdb Mutant S60E within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:11.9 occ:1.00 O A:HOH480 3.0 17.7 1.0 O A:HOH436 3.1 5.8 1.0 NH2 A:ARG15 3.3 6.0 1.0 N A:SER38 3.3 10.5 1.0 O A:HOH460 3.5 13.3 1.0 CB A:SER38 3.8 11.4 1.0 CD1 A:TYR14 4.0 9.2 1.0 NE A:ARG15 4.0 6.1 1.0 CA A:ALA37 4.1 8.9 1.0 CZ A:ARG15 4.1 6.1 1.0 CA A:SER38 4.2 11.3 1.0 C A:ALA37 4.2 9.4 1.0 CE1 A:TYR14 4.5 9.3 1.0 CB A:ALA37 4.6 8.6 1.0 CZ3 A:TRP61 4.9 8.4 1.0 O A:SER38 4.9 11.3 1.0 O A:LEU36 5.0 8.3 1.0

G.Chattopadhyay, J.Bhowmick, K.Manjunath, S.Ahmed, P.Goyal, R.Varadarajan. Mechanistic Insights Into Global Suppressors of Protein Folding Defects. Plos Genet. V. 18 10334 2022.
ISSN: ESSN 1553-7404
PubMed: 36037221
DOI: 10.1371/JOURNAL.PGEN.1010334