Chlorine in PDB 9qgb: Crystal Structure of An Nadh-Accepting Ene Reductase Variant NOSTOCER1-L1,5 (Engineered Loop Swap From Achromobacter Sp. JA81)

The structure of Crystal Structure of An Nadh-Accepting Ene Reductase Variant NOSTOCER1-L1,5 (Engineered Loop Swap From Achromobacter Sp. JA81), PDB code: 9qgb was solved by D.Bischoff, B.Walla, R.Janowski, A.Maslakova, C.Maehler, D.Niessing, D.Weuster-Botz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.53 / 1.27
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	55.22, 67.78, 91.52, 90, 93.52, 90
R / Rfree (%)	13 / 16.1

The structure of Crystal Structure of An Nadh-Accepting Ene Reductase Variant NOSTOCER1-L1,5 (Engineered Loop Swap From Achromobacter Sp. JA81) also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of An Nadh-Accepting Ene Reductase Variant NOSTOCER1-L1,5 (Engineered Loop Swap From Achromobacter Sp. JA81) (pdb code 9qgb). 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 An Nadh-Accepting Ene Reductase Variant NOSTOCER1-L1,5 (Engineered Loop Swap From Achromobacter Sp. JA81), PDB code: 9qgb:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of An Nadh-Accepting Ene Reductase Variant NOSTOCER1-L1,5 (Engineered Loop Swap From Achromobacter Sp. JA81)


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 An Nadh-Accepting Ene Reductase Variant NOSTOCER1-L1,5 (Engineered Loop Swap From Achromobacter Sp. JA81) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl414 b:48.5 occ:0.50 CL B:CL414 0.0 48.5 0.5 CL B:CL414 2.1 30.3 0.5 OE2 B:GLU277 3.6 18.8 1.0 CD B:GLU277 3.7 15.7 1.0 OG1 B:THR292 3.8 17.4 1.0 O B:HOH840 4.0 24.8 1.0 O B:HOH1007 4.0 52.1 1.0 CG B:GLU277 4.0 13.3 1.0 CB B:GLU277 4.2 12.6 1.0 O B:HOH580 4.2 32.4 1.0 OE1 B:GLU277 4.2 16.9 1.0 N B:THR292 4.5 15.4 1.0 CB B:THR292 4.6 15.3 1.0 O B:HOH950 4.7 19.5 1.0 O B:HOH686 4.8 18.6 1.0 O B:HOH571 4.9 20.4 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of An Nadh-Accepting Ene Reductase Variant NOSTOCER1-L1,5 (Engineered Loop Swap From Achromobacter Sp. JA81)


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 An Nadh-Accepting Ene Reductase Variant NOSTOCER1-L1,5 (Engineered Loop Swap From Achromobacter Sp. JA81) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl414 b:30.3 occ:0.50 CL B:CL414 0.0 30.3 0.5 CL B:CL414 2.1 48.5 0.5 O B:HOH1007 2.7 52.1 1.0 N B:THR292 2.9 15.4 1.0 O B:HOH803 3.1 21.3 1.0 OG1 B:THR292 3.5 17.4 1.0 CA B:PRO291 3.5 17.4 1.0 C B:PRO291 3.7 15.7 1.0 CB B:THR292 3.7 15.3 1.0 CA B:THR292 3.9 14.9 1.0 O B:HOH580 4.1 32.4 1.0 CB B:PRO291 4.2 19.7 1.0 OE2 B:GLU277 4.3 18.8 1.0 O B:VAL290 4.4 18.5 1.0 O B:HOH936 4.6 18.9 1.0 O B:HOH686 4.7 18.6 1.0 N B:PRO291 4.7 17.2 1.0 N B:SER293 4.8 14.8 1.0 O B:PRO291 4.9 15.8 1.0 C B:THR292 4.9 13.7 1.0 CD B:GLU277 4.9 15.7 1.0 O B:HOH1048 5.0 52.9 1.0

B.Walla, A.Maslakova, D.Bischoff, R.Janowski, D.Niessing, D.Weuster-Botz. Rational Introduction of Electrostatic Interactions at Crystal Contacts to Enhance Protein Crystallization of An Ene Reductase Biomolecules V. 15 2025.
ISSN: ESSN 2218-273X
DOI: 10.3390/BIOM15040467