Bromine in PDB 6rbt: Crystal Structure of Nad Kinase 1 From Listeria Monocytogenes in Complexe with An Adenine Derivative

All present enzymatic activity of Crystal Structure of Nad Kinase 1 From Listeria Monocytogenes in Complexe with An Adenine Derivative:
2.7.1.23;

The structure of Crystal Structure of Nad Kinase 1 From Listeria Monocytogenes in Complexe with An Adenine Derivative, PDB code: 6rbt was solved by M.Gelin, G.Labesse, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.33 / 2.55
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	62.521, 76.178, 117.998, 90.00, 90.00, 90.00
R / Rfree (%)	24.8 / 29.4

The binding sites of Bromine atom in the Crystal Structure of Nad Kinase 1 From Listeria Monocytogenes in Complexe with An Adenine Derivative (pdb code 6rbt). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Crystal Structure of Nad Kinase 1 From Listeria Monocytogenes in Complexe with An Adenine Derivative, PDB code: 6rbt:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Crystal Structure of Nad Kinase 1 From Listeria Monocytogenes in Complexe with An Adenine Derivative


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of Nad Kinase 1 From Listeria Monocytogenes in Complexe with An Adenine Derivative within 5.0Å range: probe atom residue distance (Å) B Occ A:Br302 b:0.7 occ:1.00 BR1 A:JXE302 0.0 0.7 1.0 C09 A:JXE302 1.9 1.0 1.0 N08 A:JXE302 2.9 0.2 1.0 N11 A:JXE302 2.9 0.4 1.0 C12 A:JXE302 3.3 0.2 1.0 C13 A:JXE302 3.4 0.3 1.0 CD1 A:LEU49 3.6 76.1 1.0 ND2 A:ASN122 3.8 79.7 1.0 N A:GLY46 4.0 70.0 1.0 C07 A:JXE302 4.1 0.8 1.0 C06 A:JXE302 4.1 0.0 1.0 CA A:GLY46 4.1 70.7 1.0 C A:ASP45 4.2 67.2 1.0 CG A:LEU49 4.3 74.0 1.0 CB A:ASP45 4.4 72.0 1.0 O A:ASP45 4.4 62.6 1.0 O A:HOH402 4.9 63.2 1.0 C14 A:JXE302 4.9 0.1 1.0 CA A:ASP45 5.0 69.8 1.0

Bromine binding site 2 out of 2 in the Crystal Structure of Nad Kinase 1 From Listeria Monocytogenes in Complexe with An Adenine Derivative


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of Nad Kinase 1 From Listeria Monocytogenes in Complexe with An Adenine Derivative within 5.0Å range: probe atom residue distance (Å) B Occ A:Br302 b:0.3 occ:1.00 BR2 A:JXE302 0.0 0.3 1.0 C15 A:JXE302 2.0 0.2 1.0 C14 A:JXE302 3.0 0.1 1.0 N A:GLY46 3.4 70.0 1.0 C13 A:JXE302 3.6 0.3 1.0 CA A:GLY44 3.8 93.5 1.0 N A:ASP45 3.8 73.1 1.0 CA A:GLY46 3.9 70.7 1.0 C A:GLY44 4.0 90.7 1.0 N A:THR47 4.4 72.5 1.0 N A:GLY44 4.4 89.9 1.0 C A:ASP45 4.5 67.2 1.0 CA A:ASP45 4.7 69.8 1.0 C A:GLY46 4.7 70.2 1.0 O A:GLY44 4.8 92.0 1.0

M.Gelin, J.Paoletti, M.A.Nahori, V.Huteau, C.Leseigneur, G.Jouvion, L.Dugue, D.Clement, J.L.Pons, L.Assairi, S.Pochet, G.Labesse, O.Dussurget. From Substrate to Fragments to Inhibitor Activein Vivoagainststaphylococcus Aureus. Acs Infect Dis. 2020.
ISSN: ESSN 2373-8227
PubMed: 32017533
DOI: 10.1021/ACSINFECDIS.9B00368