Chlorine in PDB 8uat: Thermus Scotoductus Sa-01 Ene-Reductase Compound 3B Complex

The structure of Thermus Scotoductus Sa-01 Ene-Reductase Compound 3B Complex, PDB code: 8uat was solved by L.A.Wilson, L.W.Guddat, G.Schenk, C.Scott, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.75 / 2.76
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	97.852, 100.471, 100.407, 89.8, 65.75, 89.92
R / Rfree (%)	23.3 / 27.1

The structure of Thermus Scotoductus Sa-01 Ene-Reductase Compound 3B Complex also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Thermus Scotoductus Sa-01 Ene-Reductase Compound 3B Complex (pdb code 8uat). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Thermus Scotoductus Sa-01 Ene-Reductase Compound 3B Complex, PDB code: 8uat:

Chlorine binding site 1 out of 1 in the Thermus Scotoductus Sa-01 Ene-Reductase Compound 3B Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Thermus Scotoductus Sa-01 Ene-Reductase Compound 3B Complex within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl403 b:56.5 occ:1.00 OE1 F:GLN207 3.5 60.8 1.0 OE1 F:GLU148 3.5 81.1 1.0 HH F:TYR194 3.6 68.2 1.0 HD13 F:LEU151 3.7 59.6 1.0 HB2 F:GLU148 3.8 67.0 1.0 HB3 F:MET147 3.9 69.2 1.0 HA F:GLU148 3.9 68.2 1.0 OH F:TYR194 3.9 56.8 1.0 HE2 F:MET147 4.0 68.2 1.0 HE3 F:MET147 4.2 68.2 1.0 HD1 F:PHE204 4.3 55.0 1.0 HB2 F:GLU144 4.4 92.2 1.0 CD F:GLN207 4.4 58.9 1.0 HB2 F:MET147 4.4 69.2 1.0 N F:GLU148 4.4 57.7 1.0 O F:GLU144 4.5 67.1 1.0 CA F:GLU148 4.5 56.8 1.0 HE1 F:PHE204 4.5 54.4 1.0 CB F:GLU148 4.6 55.8 1.0 C F:MET147 4.6 55.4 1.0 CB F:MET147 4.6 57.6 1.0 HA F:GLU144 4.6 83.1 1.0 CE F:MET147 4.6 56.8 1.0 CD1 F:LEU151 4.6 49.6 1.0 HE22 F:GLN207 4.6 71.0 1.0 H F:GLU148 4.7 69.2 1.0 O F:MET147 4.7 52.8 1.0 CD F:GLU148 4.7 74.1 1.0 HB2 F:LEU151 4.7 57.9 1.0 HD12 F:LEU151 4.8 59.6 1.0 NE2 F:GLN207 4.8 59.1 1.0 CZ F:TYR194 4.9 60.2 1.0 CD1 F:PHE204 4.9 45.8 1.0 HB3 F:GLN207 4.9 60.6 1.0 CE1 F:PHE204 5.0 45.3 1.0

R.A.Rocha, L.A.Wilson, B.D.Schwartz, A.C.Warden, L.W.Guddat, R.E.Speight, L.Malins, G.Schenk, C.Scott. Structural Characterization of Enzymatic Interactions with Functional Nicotinamide Cofactor Biomimetics Catalysts V. 14 2024.
ISSN: ESSN 2073-4344
DOI: 10.3390/CATAL14070399