Chlorine in PDB 6yga: Crystal Structure of the Apo Natc Complex

All present enzymatic activity of Crystal Structure of the Apo Natc Complex:
2.3.1.256;

The structure of Crystal Structure of the Apo Natc Complex, PDB code: 6yga was solved by S.Grunwald, L.Hopf, T.Bock-Bierbaum, C.C.Lally, C.M.T.Spahn, O.Daumke, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.23 / 2.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.124, 140.421, 166.409, 90.00, 90.00, 90.00
R / Rfree (%)	19.4 / 22.5

The structure of Crystal Structure of the Apo Natc Complex also contains other interesting chemical elements:

Iodine

(I)

11 atoms

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

Chlorine binding site 1 out of 3 in the Crystal Structure of the Apo Natc Complex


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 the Apo Natc Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl809 b:82.5 occ:1.00 O B:PRO267 3.2 75.9 1.0 N B:PHE271 3.7 66.2 1.0 N B:ALA270 3.9 71.0 1.0 CD1 B:PHE271 4.0 61.3 1.0 N B:GLY269 4.0 77.7 1.0 CB B:PRO266 4.0 75.2 1.0 O B:PHE271 4.1 72.2 1.0 NH1 B:ARG93 4.1 77.9 1.0 C B:PRO267 4.2 78.8 1.0 CB B:ALA270 4.2 68.1 1.0 CA B:LYS268 4.3 80.6 1.0 CB B:PHE271 4.3 61.8 1.0 O B:PRO266 4.4 78.2 1.0 CA B:ALA270 4.4 69.1 1.0 CA B:PHE271 4.5 64.8 1.0 C B:ALA270 4.5 67.2 1.0 C B:LYS268 4.5 80.0 1.0 C B:PRO266 4.6 78.1 1.0 CG B:PHE271 4.6 61.0 1.0 N B:LYS268 4.6 80.3 1.0 CG B:PRO266 4.6 75.2 1.0 C B:GLY269 4.7 72.2 1.0 CZ B:ARG93 4.7 75.2 1.0 C B:PHE271 4.8 68.5 1.0 CA B:GLY269 4.8 76.3 1.0 CA B:PRO266 4.9 79.9 1.0 CE1 B:PHE271 5.0 60.0 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of the Apo Natc Complex


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 the Apo Natc Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl810 b:69.7 occ:1.00 OG B:SER430 3.7 64.6 1.0 CB B:SER430 4.0 61.9 1.0 CE1 B:PHE425 4.1 43.1 1.0 ND2 B:ASN383 4.2 65.7 1.0 CD1 B:LEU385 4.3 44.8 1.0 OD1 B:ASN383 4.4 62.8 1.0 CD1 B:PHE425 4.4 42.9 1.0 CD2 B:TYR433 4.4 45.3 1.0 CG B:ASN383 4.5 64.8 1.0 CE2 B:TYR433 4.6 46.9 1.0 CB B:LEU385 4.7 45.3 1.0 CG2 B:VAL428 4.7 51.3 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of the Apo Natc Complex


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 the Apo Natc Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl811 b:57.2 occ:1.00 OG B:SER465 2.9 45.6 1.0 ND2 B:ASN568 3.1 46.5 1.0 NE2 B:GLN605 3.3 56.9 1.0 O B:HOH953 3.6 44.0 1.0 CB B:PHE604 4.0 41.5 1.0 CG B:ASN568 4.1 49.9 1.0 CB B:ASN568 4.1 49.3 1.0 CE2 B:TYR464 4.1 44.5 1.0 O B:HOH957 4.1 45.1 1.0 ND1 B:HIS583 4.1 43.6 1.0 O B:ASN568 4.2 46.8 1.0 CD B:GLN605 4.2 55.1 1.0 CB B:SER465 4.2 39.7 1.0 CD2 B:TYR464 4.3 41.0 1.0 CD2 B:PHE604 4.4 39.5 1.0 OE1 B:GLN605 4.4 54.6 1.0 CG B:PHE604 4.5 41.8 1.0 CE1 B:HIS583 4.6 42.7 1.0 C B:PHE604 4.8 42.4 1.0 CA B:SER465 4.9 39.4 1.0 O B:PHE604 4.9 42.3 1.0

S.Grunwald, L.V.M.Hopf, T.Bock-Bierbaum, C.C.M.Lally, C.M.T.Spahn, O.Daumke. Divergent Architecture of the Heterotrimeric Natc Complex Explains N-Terminal Acetylation of Cognate Substrates. Nat Commun V. 11 5506 2020.
ISSN: ESSN 2041-1723
PubMed: 33139728
DOI: 10.1038/S41467-020-19321-8