Chlorine in PDB 8qhf: Corynebacterium Glutamicum Mycoloyltransferase C Acyl-Enzyme Intermediate

The structure of Corynebacterium Glutamicum Mycoloyltransferase C Acyl-Enzyme Intermediate, PDB code: 8qhf was solved by I.Li De La Sierra-Gallay, E.Lesur, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.53 / 2.69
Space group	F 2 3
Cell size a, b, c (Å), α, β, γ (°)	168.12, 168.12, 168.12, 90, 90, 90
R / Rfree (%)	25.3 / 27.9

The binding sites of Chlorine atom in the Corynebacterium Glutamicum Mycoloyltransferase C Acyl-Enzyme Intermediate (pdb code 8qhf). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Corynebacterium Glutamicum Mycoloyltransferase C Acyl-Enzyme Intermediate, PDB code: 8qhf:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Corynebacterium Glutamicum Mycoloyltransferase C Acyl-Enzyme Intermediate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Corynebacterium Glutamicum Mycoloyltransferase C Acyl-Enzyme Intermediate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:97.9 occ:1.00 NE A:ARG351 3.4 85.6 1.0 NH2 A:ARG351 3.5 87.2 1.0 CZ A:ARG351 3.9 86.9 1.0 CG A:ARG351 4.3 82.3 1.0 CD1 A:PHE126 4.4 90.3 1.0 CD A:ARG351 4.4 84.2 1.0 CE1 A:PHE126 4.4 90.8 1.0

Chlorine binding site 2 out of 4 in the Corynebacterium Glutamicum Mycoloyltransferase C Acyl-Enzyme Intermediate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Corynebacterium Glutamicum Mycoloyltransferase C Acyl-Enzyme Intermediate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:88.2 occ:1.00 OG A:SER49 3.3 112.5 1.0 N A:ASP48 3.5 106.3 1.0 N A:SER49 4.1 107.9 1.0 CB A:SER47 4.1 106.7 1.0 CA A:SER47 4.2 105.4 1.0 C A:SER47 4.3 105.9 1.0 CA A:ASP48 4.4 107.3 1.0 CB A:SER49 4.5 110.0 1.0 CB A:ASP48 4.5 109.6 1.0 C A:ASP48 4.6 107.7 1.0 CA A:SER49 4.9 108.5 1.0 OG A:SER47 5.0 109.1 1.0

Chlorine binding site 3 out of 4 in the Corynebacterium Glutamicum Mycoloyltransferase C Acyl-Enzyme Intermediate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Corynebacterium Glutamicum Mycoloyltransferase C Acyl-Enzyme Intermediate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl405 b:99.8 occ:1.00 N A:ALA153 3.2 84.5 1.0 CB A:ALA153 3.6 84.3 1.0 CA A:ASN152 3.9 84.5 1.0 CA A:ALA153 4.0 84.5 1.0 C A:ASN152 4.0 84.7 1.0 O A:GLU151 4.5 84.3 1.0 N A:ASN152 4.6 84.5 1.0 C A:GLU151 4.9 84.7 1.0

Chlorine binding site 4 out of 4 in the Corynebacterium Glutamicum Mycoloyltransferase C Acyl-Enzyme Intermediate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Corynebacterium Glutamicum Mycoloyltransferase C Acyl-Enzyme Intermediate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl406 b:107.1 occ:1.00 ND2 A:ASN84 3.5 92.8 1.0 N A:ASN84 3.8 87.9 1.0 CB A:ASN84 4.0 88.8 1.0 CG A:ASN84 4.2 92.2 1.0 CA A:ASN84 4.5 87.6 1.0 O A:ASN84 4.6 87.5 1.0 CA A:ARG83 4.7 89.5 1.0 C A:ARG83 4.7 88.6 1.0

E.Lesur, Y.Zhang, N.Dautin, C.Dietrich, I.Li De La Sierra-Gallay, L.A.Augusto, P.Rollando, N.Lazar, D.Urban, G.Doisneau, F.Constantinesco-Becker, H.Van Tilbeurgh, D.Guianvarc'h, Y.Bourdreux, N.Bayan. Synthetic Mycolates Derivatives to Decipher Protein Mycoloylation, A Unique Post-Translational Modification in Bacteria. J.Biol.Chem. 08243 2025.
ISSN: ESSN 1083-351X
PubMed: 39880088
DOI: 10.1016/J.JBC.2025.108243