Chlorine in PDB 7pf9: Synftn Variant E141D

All present enzymatic activity of Synftn Variant E141D:
1.16.3.2;

The structure of Synftn Variant E141D, PDB code: 7pf9 was solved by A.M.Hemmings, J.M.Bradley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.52 / 1.55
Space group	F 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	176.607, 176.607, 176.607, 90, 90, 90
R / Rfree (%)	16 / 18.1

The structure of Synftn Variant E141D also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Synftn Variant E141D (pdb code 7pf9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Synftn Variant E141D, PDB code: 7pf9:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Synftn Variant E141D


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Synftn Variant E141D within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:77.3 occ:1.00 O A:HOH441 3.3 59.6 1.0 NH1 A:ARG93 3.3 40.9 1.0 O A:HOH482 3.4 51.7 1.0 CD A:ARG93 3.7 39.3 1.0 CG2 A:THR105 3.8 36.5 1.0 OG1 A:THR105 4.1 36.6 1.0 CZ A:ARG93 4.4 40.1 1.0 O A:HOH486 4.5 66.2 1.0 NE A:ARG93 4.5 39.8 1.0 CB A:THR105 4.6 36.0 1.0 O A:HOH452 4.8 74.4 1.0 CG A:ARG93 4.9 37.3 1.0 CB A:ARG93 5.0 37.0 1.0 O A:HOH462 5.0 70.7 1.0

Chlorine binding site 2 out of 3 in the Synftn Variant E141D


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Synftn Variant E141D within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:39.5 occ:1.00 O A:HOH311 3.0 41.9 1.0 O A:HOH479 3.1 53.7 1.0 N A:ALA100 3.3 31.6 1.0 O A:HOH352 3.6 41.8 1.0 CB A:ALA100 3.6 31.5 1.0 N A:LEU99 3.8 31.5 1.0 CB A:SER98 4.0 37.7 1.0 CA A:ALA100 4.0 32.1 1.0 CD1 A:LEU167 4.0 31.3 1.0 CB A:LEU99 4.0 31.2 1.0 CA A:GLY162 4.2 41.8 1.0 C A:LEU99 4.2 31.1 1.0 CA A:LEU99 4.2 30.1 1.0 OG A:SER98 4.3 37.2 1.0 CG1 A:VAL157 4.4 29.6 1.0 N A:GLY162 4.5 41.5 1.0 O A:HOH463 4.6 43.3 1.0 C A:SER98 4.6 34.3 1.0 CD2 A:LEU167 4.7 32.7 1.0 CA A:SER98 4.7 36.7 1.0 O A:HOH423 5.0 55.8 1.0 CG A:LEU167 5.0 31.1 1.0

Chlorine binding site 3 out of 3 in the Synftn Variant E141D


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Synftn Variant E141D within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:50.4 occ:1.00 OG A:SER101 2.9 40.5 1.0 N A:ASP97 3.2 40.1 1.0 NH2 A:ARG93 3.2 40.5 1.0 OD1 A:ASP97 3.5 58.3 1.0 CB A:SER101 3.7 36.8 1.0 CG A:ASP97 3.7 54.4 1.0 CA A:TRP96 3.8 36.8 1.0 CB A:ASP97 3.9 47.9 1.0 C A:TRP96 4.0 39.0 1.0 CA A:ASP97 4.1 42.8 1.0 CB A:TRP96 4.3 34.9 1.0 O A:HOH400 4.3 55.6 1.0 OD2 A:ASP97 4.4 56.2 1.0 CD1 A:TRP96 4.5 33.3 1.0 CZ A:ARG93 4.5 40.1 1.0 CG A:TRP96 4.8 33.6 1.0 O A:ASN95 4.8 38.9 1.0 O A:HOH386 4.8 52.2 1.0 N A:TRP96 5.0 39.0 1.0 N A:SER98 5.0 38.6 1.0 O A:HOH390 5.0 45.2 1.0

J.M.Bradley, J.Fair, A.M.Hemmings, N.E.Le Brun. Key Carboxylate Residues For Iron Transit Through the Prokaryotic Ferritin Syn Ftn. Microbiology (Reading, V. 167 2021ENGL.).
ISSN: ESSN 1465-2080
PubMed: 34825885
DOI: 10.1099/MIC.0.001105