Chlorine in PDB 7b4s: Structure of the 4'-Phosphopantetheinyl Transferase Pptab From Mycobacterium Abscessus in Complex with Coenzyme A and Compound 153786 From the Nci Open Database

The structure of Structure of the 4'-Phosphopantetheinyl Transferase Pptab From Mycobacterium Abscessus in Complex with Coenzyme A and Compound 153786 From the Nci Open Database, PDB code: 7b4s was solved by L.Maveyraud, C.Carivenc, L.Mourey, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.53 / 1.38
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	62.838, 83.318, 56.092, 90, 90, 90
R / Rfree (%)	16.9 / 19.5

The structure of Structure of the 4'-Phosphopantetheinyl Transferase Pptab From Mycobacterium Abscessus in Complex with Coenzyme A and Compound 153786 From the Nci Open Database also contains other interesting chemical elements:

Manganese

(Mn)

2 atoms

The binding sites of Chlorine atom in the Structure of the 4'-Phosphopantetheinyl Transferase Pptab From Mycobacterium Abscessus in Complex with Coenzyme A and Compound 153786 From the Nci Open Database (pdb code 7b4s). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Structure of the 4'-Phosphopantetheinyl Transferase Pptab From Mycobacterium Abscessus in Complex with Coenzyme A and Compound 153786 From the Nci Open Database, PDB code: 7b4s:

Chlorine binding site 1 out of 1 in the Structure of the 4'-Phosphopantetheinyl Transferase Pptab From Mycobacterium Abscessus in Complex with Coenzyme A and Compound 153786 From the Nci Open Database


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the 4'-Phosphopantetheinyl Transferase Pptab From Mycobacterium Abscessus in Complex with Coenzyme A and Compound 153786 From the Nci Open Database within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:43.9 occ:0.58 CL A:P62301 0.0 43.9 0.6 C8 A:P62301 1.7 40.4 0.6 C9 A:P62301 2.7 38.4 0.6 C7 A:P62301 2.7 39.1 0.6 HE3 A:LYS75 2.8 46.4 1.0 H6 A:P62301 2.8 46.1 0.6 H5 A:P62301 2.8 46.9 0.6 HD2 A:LYS75 2.9 43.2 1.0 O A:HOH458 3.0 28.2 0.4 HZ2 A:LYS75 3.0 48.9 1.0 HB2 A:TRP166 3.3 38.0 1.0 CE A:LYS75 3.4 38.6 1.0 CD A:LYS75 3.6 36.0 1.0 NZ A:LYS75 3.6 40.7 1.0 HG3 A:LYS75 3.8 40.1 1.0 HE3 A:TRP166 3.9 42.8 1.0 HZ1 A:LYS75 3.9 48.9 1.0 C10 A:P62301 4.0 37.5 0.6 C6 A:P62301 4.0 37.1 0.6 HE2 A:LYS75 4.3 46.4 1.0 CG A:LYS75 4.3 33.4 1.0 CB A:TRP166 4.3 31.7 1.0 HZ3 A:LYS75 4.3 48.9 1.0 O A:HOH431 4.4 46.4 1.0 HD3 A:LYS75 4.4 43.2 1.0 C5 A:P62301 4.5 37.0 0.6 HB3 A:LYS75 4.6 39.4 1.0 H A:TRP166 4.6 34.5 1.0 CE3 A:TRP166 4.6 35.7 1.0 O A:HOH572 4.6 40.6 1.0 HA A:TRP166 4.7 35.0 1.0 HB3 A:TRP166 4.7 38.0 1.0 H7 A:P62301 4.8 45.0 0.6 H4 A:P62301 4.8 44.5 0.6 N A:TRP166 4.9 28.8 1.0 CA A:TRP166 4.9 29.2 1.0 HH A:TYR156 5.0 30.3 0.4 HE1 A:PHE160 5.0 34.2 1.0

C.Carivenc, L.Maveyraud, C.Blanger, S.Ballereau, C.Roy-Camille, M.C.Nguyen, Y.Genisson, C.Guilhot, C.Chalut, J.D.Pedelacq, L.Mourey. Phosphopantetheinyl Transferase Binding and Inhibition By Amidino-Urea and Hydroxypyrimidinethione Compounds. Sci Rep V. 11 18042 2021.
ISSN: ESSN 2045-2322
PubMed: 34508141
DOI: 10.1038/S41598-021-97197-4