Chlorine in PDB 6k4l: Crystal Structure of Se-Labelled Sidj Complex with Cam at 2.95 A

The structure of Crystal Structure of Se-Labelled Sidj Complex with Cam at 2.95 A, PDB code: 6k4l was solved by S.Y.Ouyang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	68.32 / 2.95
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	61.060, 159.246, 135.809, 90.00, 101.68, 90.00
R / Rfree (%)	24.3 / 26.9

The structure of Crystal Structure of Se-Labelled Sidj Complex with Cam at 2.95 A also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Se-Labelled Sidj Complex with Cam at 2.95 A (pdb code 6k4l). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Se-Labelled Sidj Complex with Cam at 2.95 A, PDB code: 6k4l:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Se-Labelled Sidj Complex with Cam at 2.95 A


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 Se-Labelled Sidj Complex with Cam at 2.95 A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl901 b:63.4 occ:1.00 CE A:LYS260 3.5 34.3 1.0 NZ A:LYS260 3.6 37.8 1.0 N A:PHE587 3.6 38.1 1.0 CA A:PHE587 3.6 45.1 1.0 CB A:PHE587 3.7 45.2 1.0 CE A:LYS590 4.1 30.1 1.0 C A:LEU586 4.1 41.2 1.0 CD2 A:PHE587 4.1 52.0 1.0 CD A:LYS260 4.3 31.3 1.0 OD2 A:ASP307 4.3 43.8 1.0 NZ A:LYS590 4.4 40.2 1.0 CG A:PHE587 4.4 46.0 1.0 CB A:LEU586 4.5 39.6 1.0 O A:LEU586 4.6 47.6 1.0 CG A:LYS260 4.7 26.9 1.0 CA A:LEU586 4.8 44.0 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Se-Labelled Sidj Complex with Cam at 2.95 A


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 Se-Labelled Sidj Complex with Cam at 2.95 A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl902 b:99.5 occ:1.00 NE2 A:GLN167 2.9 70.3 1.0 CD1 A:ILE163 3.1 81.6 1.0 CA A:LEU241 3.6 38.9 1.0 N A:LEU241 3.7 42.1 1.0 CD1 A:LEU241 3.8 30.2 1.0 CB A:LEU241 3.9 31.5 1.0 CD A:GLN167 4.0 75.5 1.0 C A:ALA240 4.1 41.0 1.0 NE2 A:HIS171 4.2 43.4 1.0 O A:ALA240 4.3 38.8 1.0 CG1 A:ILE163 4.4 78.3 1.0 CB A:ALA240 4.4 36.0 1.0 CG A:LEU241 4.5 29.8 1.0 OE1 A:GLN167 4.7 78.2 1.0 CG A:GLN167 4.7 76.1 1.0 O A:PHE237 4.8 56.0 1.0 CE2 A:TYR245 4.8 46.4 1.0 CB A:GLU244 4.9 61.9 1.0 CA A:ALA240 4.9 41.3 1.0 C A:LEU241 5.0 40.8 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Se-Labelled Sidj Complex with Cam at 2.95 A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Se-Labelled Sidj Complex with Cam at 2.95 A within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl901 b:61.3 occ:1.00 CE B:LYS260 3.5 36.0 1.0 NZ B:LYS260 3.5 44.3 1.0 N B:PHE587 3.6 39.8 1.0 CA B:PHE587 3.6 45.8 1.0 CB B:PHE587 3.7 43.6 1.0 C B:LEU586 4.1 43.6 1.0 CE B:LYS590 4.1 32.4 1.0 CD2 B:PHE587 4.1 43.5 1.0 CD B:LYS260 4.2 30.1 1.0 NZ B:LYS590 4.3 35.5 1.0 CB B:LEU586 4.4 40.1 1.0 CG B:PHE587 4.4 43.7 1.0 O B:LEU586 4.6 51.9 1.0 OD2 B:ASP307 4.6 41.8 1.0 CA B:LEU586 4.7 44.4 1.0 CG B:LYS260 4.7 29.3 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Se-Labelled Sidj Complex with Cam at 2.95 A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Se-Labelled Sidj Complex with Cam at 2.95 A within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl902 b:69.2 occ:1.00 NH2 B:ARG505 3.2 49.0 1.0 OG1 B:THR602 3.5 40.1 1.0 OE2 B:GLU605 3.6 57.9 1.0 CZ B:PHE558 3.7 53.8 1.0 OE1 B:GLU605 3.8 57.2 1.0 CD B:GLU605 4.0 56.9 1.0 ND2 B:ASN601 4.0 40.6 1.0 CE1 B:PHE558 4.1 55.3 1.0 CZ B:ARG505 4.2 52.9 1.0 CZ B:PHE563 4.3 34.8 1.0 NE B:ARG505 4.4 52.9 1.0 CE2 B:PHE563 4.5 35.5 1.0 CA B:THR602 4.6 41.0 1.0 CB B:THR602 4.6 44.8 1.0 CD2 B:LEU552 4.6 26.4 1.0 N B:THR602 4.7 41.0 1.0 CE2 B:PHE558 4.9 47.7 1.0 O B:LEU598 5.0 51.9 1.0

N.Gan, X.Zhen, Y.Liu, X.Xu, C.He, J.Qiu, Y.Liu, G.M.Fujimoto, E.S.Nakayasu, B.Zhou, L.Zhao, K.Puvar, C.Das, S.Ouyang, Z.Q.Luo. Regulation of Phosphoribosyl Ubiquitination By A Calmodulin-Dependent Glutamylase. Nature V. 572 387 2019.
ISSN: ESSN 1476-4687
PubMed: 31330531
DOI: 10.1038/S41586-019-1439-1