Chlorine in PDB 6kvy: The Structure of Eanb/T414A Complex with Hercynine

The structure of The Structure of Eanb/T414A Complex with Hercynine, PDB code: 6kvy 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)	26.00 / 1.78
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	87.876, 111.072, 60.378, 90.00, 90.00, 90.00
R / Rfree (%)	15.8 / 18.3

The structure of The Structure of Eanb/T414A Complex with Hercynine also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the The Structure of Eanb/T414A Complex with Hercynine (pdb code 6kvy). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the The Structure of Eanb/T414A Complex with Hercynine, PDB code: 6kvy:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the The Structure of Eanb/T414A Complex with Hercynine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Structure of Eanb/T414A Complex with Hercynine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:13.6 occ:1.00 N A:HIS261 3.2 13.6 1.0 O A:HOH816 3.2 16.4 1.0 NH1 A:ARG381 3.3 13.0 1.0 C A:ALA259 3.4 14.6 1.0 N A:ILE262 3.4 11.1 1.0 CA A:ALA259 3.5 13.9 1.0 NH2 A:ARG381 3.6 13.5 1.0 N A:GLY260 3.6 14.6 1.0 CB A:HIS261 3.7 12.8 1.0 O A:ALA259 3.7 13.0 1.0 CD1 A:PHE245 3.7 15.2 1.0 CA A:HIS261 3.7 14.6 1.0 CZ A:ARG381 3.9 16.7 1.0 CG1 A:ILE262 3.9 12.7 1.0 C A:HIS261 4.0 13.2 1.0 CB A:PHE245 4.1 13.1 1.0 CB A:ALA259 4.1 14.9 1.0 C A:GLY260 4.2 12.4 1.0 CA A:PHE245 4.3 13.3 1.0 CG A:PHE245 4.4 15.2 1.0 CA A:GLY260 4.5 12.4 1.0 CA A:ILE262 4.5 11.7 1.0 CB A:ILE262 4.6 11.4 1.0 O A:ALA258 4.6 16.2 1.0 CD1 A:ILE262 4.6 15.5 1.0 CE1 A:PHE245 4.7 17.5 1.0 N A:PHE245 4.8 13.8 1.0 N A:ALA259 4.8 14.1 1.0

Chlorine binding site 2 out of 2 in the The Structure of Eanb/T414A Complex with Hercynine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Structure of Eanb/T414A Complex with Hercynine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl504 b:19.9 occ:1.00 OH A:TYR411 3.1 16.4 1.0 NH1 A:ARG341 3.2 16.9 1.0 N A:ILE362 3.3 17.9 1.0 CA A:ARG361 3.5 17.3 1.0 CE2 A:TYR411 3.6 17.1 1.0 CB A:ARG361 3.7 18.1 1.0 SG A:CYS339 3.7 18.2 1.0 CD A:ARG341 3.8 15.5 1.0 CZ A:TYR411 3.8 14.8 1.0 C A:ARG361 3.9 19.0 1.0 O A:HOH671 3.9 27.2 1.0 CG1 A:ILE362 4.0 17.2 1.0 CZ A:ARG341 4.2 19.4 1.0 CB A:ILE362 4.3 18.2 1.0 O A:GLY360 4.3 18.2 1.0 CE3 A:TRP440 4.4 19.8 1.0 CA A:ILE362 4.4 18.2 1.0 NE A:ARG341 4.5 17.3 1.0 CB A:CYS339 4.5 15.4 1.0 N A:ARG361 4.7 19.2 1.0 CB A:TRP440 4.7 16.4 1.0 CD1 A:ILE362 4.8 16.4 1.0 CD2 A:TYR411 4.8 14.4 1.0 CD2 A:TRP440 4.9 17.0 1.0 C A:GLY360 4.9 21.4 1.0 CG A:ARG341 5.0 14.2 1.0

L.Wu, P.H.Liu, J.H.Zhou. The Structure of Eanb/T414A Complex with Hercynine To Be Published.