Chlorine in PDB 6ktx: The Wildtype Structure of Eanb

The structure of The Wildtype Structure of Eanb, PDB code: 6ktx was solved by L.Wu, P.H.Liu, J.H.Zhou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.15 / 2.19
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	88.583, 111.387, 60.285, 90.00, 90.00, 90.00
R / Rfree (%)	17.2 / 21.3

The structure of The Wildtype Structure of Eanb also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the The Wildtype Structure of Eanb (pdb code 6ktx). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the The Wildtype Structure of Eanb, PDB code: 6ktx:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the The Wildtype Structure of Eanb


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Wildtype Structure of Eanb within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:33.6 occ:1.00 OH A:TYR411 3.0 33.8 1.0 NH1 A:ARG341 3.2 27.4 1.0 N A:ILE362 3.2 30.6 1.0 O A:HOH651 3.4 36.4 1.0 CA A:ARG361 3.4 37.8 1.0 CE2 A:TYR411 3.6 31.1 1.0 CB A:ARG361 3.6 30.0 1.0 SG A:CYS339 3.6 32.8 1.0 CZ A:TYR411 3.8 32.9 1.0 CD A:ARG341 3.8 28.9 1.0 C A:ARG361 3.8 35.0 1.0 CG1 A:ILE362 4.0 35.0 1.0 CB A:ILE362 4.1 30.8 1.0 CA A:ILE362 4.2 32.3 1.0 CZ A:ARG341 4.3 31.4 1.0 CB A:CYS339 4.3 26.9 1.0 NE A:ARG341 4.5 32.0 1.0 O A:GLY360 4.5 34.0 1.0 CE3 A:TRP440 4.6 32.5 1.0 CD1 A:ILE362 4.7 29.4 1.0 N A:ARG361 4.7 35.9 1.0 CB A:TRP440 4.8 28.4 1.0 CD2 A:TYR411 4.9 25.3 1.0 O A:ILE362 4.9 31.6 1.0 CG A:ARG341 5.0 31.8 1.0 CG A:ARG361 5.0 32.3 1.0

Chlorine binding site 2 out of 3 in the The Wildtype Structure of Eanb


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Wildtype Structure of Eanb within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:31.4 occ:1.00 O A:HOH700 3.1 34.2 1.0 NH1 A:ARG381 3.2 31.8 1.0 N A:HIS261 3.3 25.8 1.0 N A:ILE262 3.4 28.8 1.0 C A:ALA259 3.5 29.8 1.0 CA A:ALA259 3.5 27.9 1.0 CB A:HIS261 3.7 28.4 1.0 CD1 A:PHE245 3.7 29.4 1.0 NH2 A:ARG381 3.7 30.2 1.0 N A:GLY260 3.7 26.8 1.0 CG1 A:ILE262 3.8 32.2 1.0 CA A:HIS261 3.8 25.8 1.0 O A:ALA259 3.9 28.6 1.0 CZ A:ARG381 3.9 34.6 1.0 CB A:ALA259 3.9 28.0 1.0 C A:HIS261 4.0 28.8 1.0 CB A:PHE245 4.2 30.5 1.0 C A:GLY260 4.3 28.6 1.0 CA A:PHE245 4.4 28.7 1.0 CG A:PHE245 4.4 33.8 1.0 CB A:ILE262 4.5 28.4 1.0 CA A:ILE262 4.5 25.2 1.0 CD1 A:ILE262 4.6 28.7 1.0 CA A:GLY260 4.6 25.1 1.0 CE1 A:PHE245 4.6 34.7 1.0 O A:ALA258 4.8 32.0 1.0 N A:PHE245 4.8 28.1 1.0 N A:ALA259 4.8 30.7 1.0

Chlorine binding site 3 out of 3 in the The Wildtype Structure of Eanb


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Wildtype Structure of Eanb within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl504 b:71.6 occ:1.00 NH2 A:ARG157 3.2 61.8 1.0 O A:HOH813 3.5 43.1 1.0 CZ A:ARG157 3.6 65.9 1.0 NE A:ARG157 4.0 60.8 1.0 NH1 A:ARG157 4.3 54.9 1.0 OE1 A:GLN154 4.5 43.5 1.0 CD A:GLN154 4.7 40.0 1.0 CD1 A:LEU426 4.8 31.0 1.0 CG A:LEU426 4.8 26.1 1.0 CG A:ARG157 4.8 29.6 1.0 CD2 A:LEU426 4.8 28.5 1.0

R.Cheng, L.Wu, R.Lai, C.Peng, N.Naowarojna, W.Hu, X.Li, S.A.Whelan, N.Lee, J.Lopez, C.Zhao, Y.Yong, J.Xue, X.Jiang, M.W.Grinstaff, Z.Deng, J.Chen, Q.Cui, J.H.Zhou, P.Liu. Single-Step Replacement of An Unreactive C-H Bond By A C-S Bond Using Polysulfide As the Direct Sulfur Source in the Anaerobic Ergothioneine Biosynthesis Acs Catalysis V. 10 8981 2020.
ISSN: ESSN 2155-5435
DOI: 10.1021/ACSCATAL.0C01809