Chlorine in PDB 8fxu: Thermoanaerobacter Thermosaccharolyticum Periplasmic Glucose-Binding Protein Glucose Complex: Badan Conjugate Attached at F17C

The structure of Thermoanaerobacter Thermosaccharolyticum Periplasmic Glucose-Binding Protein Glucose Complex: Badan Conjugate Attached at F17C, PDB code: 8fxu was solved by M.J.Allert, S.Kumar, L.S.Beese, H.W.Hellinga, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.66 / 1.59
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	45.49, 53.06, 134.32, 90, 90, 90
R / Rfree (%)	16.1 / 17.8

The structure of Thermoanaerobacter Thermosaccharolyticum Periplasmic Glucose-Binding Protein Glucose Complex: Badan Conjugate Attached at F17C also contains other interesting chemical elements:

Calcium	(Ca)	1 atom
Potassium	(K)	1 atom

The binding sites of Chlorine atom in the Thermoanaerobacter Thermosaccharolyticum Periplasmic Glucose-Binding Protein Glucose Complex: Badan Conjugate Attached at F17C (pdb code 8fxu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Thermoanaerobacter Thermosaccharolyticum Periplasmic Glucose-Binding Protein Glucose Complex: Badan Conjugate Attached at F17C, PDB code: 8fxu:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Thermoanaerobacter Thermosaccharolyticum Periplasmic Glucose-Binding Protein Glucose Complex: Badan Conjugate Attached at F17C


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Thermoanaerobacter Thermosaccharolyticum Periplasmic Glucose-Binding Protein Glucose Complex: Badan Conjugate Attached at F17C within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl405 b:25.2 occ:1.00 ND2 A:ASN262 3.7 17.6 1.0 CG A:ASN262 3.7 19.2 1.0 CD A:PRO298 3.9 13.8 1.0 CB A:ASN262 3.9 12.4 1.0 O A:HOH681 4.0 28.3 1.0 CE2 A:TYR287 4.0 15.1 1.0 CG2 A:ILE297 4.0 12.4 1.0 CD1 A:ILE297 4.0 13.1 1.0 OD1 A:ASN262 4.2 19.2 1.0 CD2 A:TYR287 4.4 12.7 1.0 OD2 A:ASP259 4.4 20.4 1.0 CG A:PRO298 4.8 19.3 1.0 CB A:ILE297 4.8 12.8 1.0 O A:HOH749 4.9 33.1 1.0 CA A:ILE297 4.9 11.1 1.0 CG1 A:ILE297 5.0 13.6 1.0 N A:PRO298 5.0 11.4 1.0

Chlorine binding site 2 out of 2 in the Thermoanaerobacter Thermosaccharolyticum Periplasmic Glucose-Binding Protein Glucose Complex: Badan Conjugate Attached at F17C


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Thermoanaerobacter Thermosaccharolyticum Periplasmic Glucose-Binding Protein Glucose Complex: Badan Conjugate Attached at F17C within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl406 b:35.1 occ:1.00 NH1 A:ARG184 3.7 23.5 0.5 CG A:HIS188 3.7 11.3 1.0 CB A:HIS188 3.8 9.2 1.0 CD2 A:HIS188 3.8 12.7 1.0 CG A:GLU218 3.9 16.3 0.6 CB A:GLU218 4.1 13.7 0.5 CB A:GLU218 4.1 13.7 0.6 CG A:GLU218 4.3 12.2 0.5 CG A:ARG184 4.4 15.1 0.5 ND1 A:HIS188 4.5 13.3 1.0 NE2 A:HIS188 4.5 18.3 1.0 CD A:ARG184 4.7 18.7 0.5 CG2 A:VAL185 4.7 21.1 1.0 CG A:ARG184 4.7 15.2 0.6 CA A:VAL185 4.8 12.9 1.0 CA A:GLY215 4.9 11.5 1.0 CE1 A:HIS188 4.9 17.8 1.0 O A:ARG184 4.9 11.2 1.0 CZ A:ARG184 4.9 25.5 0.5 NE A:ARG184 4.9 22.6 0.6

M.J.Allert, S.Kumar, Y.Wang, L.S.Beese, H.W.Hellinga. Chromophore Carbonyl Twisting in Fluorescent Biosensors Encodes Direct Readout of Protein Conformations with Multicolor Switching. Commun Chem V. 6 168 2023.
ISSN: ESSN 2399-3669
PubMed: 37598249
DOI: 10.1038/S42004-023-00982-7