Bromine in PDB 7ecd: Crystal Structure of TAM41 From Firmicutes Bacterium, Complex with Ctp-Mg

All present enzymatic activity of Crystal Structure of TAM41 From Firmicutes Bacterium, Complex with Ctp-Mg:
2.7.7.41;

The structure of Crystal Structure of TAM41 From Firmicutes Bacterium, Complex with Ctp-Mg, PDB code: 7ecd was solved by K.Kimura, F.Kawai, H.Kubota-Kawai, Y.Watanabe, Y.Tamura, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.12 / 2.60
Space group	I 41
Cell size a, b, c (Å), α, β, γ (°)	104.159, 104.159, 113.959, 90, 90, 90
R / Rfree (%)	20.1 / 23.8

The structure of Crystal Structure of TAM41 From Firmicutes Bacterium, Complex with Ctp-Mg also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Bromine atom in the Crystal Structure of TAM41 From Firmicutes Bacterium, Complex with Ctp-Mg (pdb code 7ecd). 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 TAM41 From Firmicutes Bacterium, Complex with Ctp-Mg, PDB code: 7ecd:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Crystal Structure of TAM41 From Firmicutes Bacterium, Complex with Ctp-Mg


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 TAM41 From Firmicutes Bacterium, Complex with Ctp-Mg within 5.0Å range: probe atom residue distance (Å) B Occ A:Br303 b:102.5 occ:1.00 CE A:LYS260 3.1 77.8 1.0 N A:ILE82 3.3 68.9 1.0 NZ A:LYS260 3.4 72.0 1.0 N A:THR83 3.6 72.0 1.0 CG2 A:THR83 3.7 63.7 1.0 CA A:GLY81 3.7 67.6 1.0 OG1 A:THR83 3.7 62.3 1.0 CG2 A:ILE82 3.8 75.7 1.0 OE1 A:GLN257 3.8 75.6 1.0 C A:GLY81 3.9 73.9 1.0 O A:LYS80 4.1 77.6 1.0 CB A:THR83 4.2 64.9 1.0 CB A:LEU256 4.2 64.9 1.0 CA A:ILE82 4.3 72.8 1.0 O A:LEU256 4.4 70.9 1.0 C A:ILE82 4.4 73.3 1.0 C A:LEU256 4.4 68.5 1.0 CA A:THR83 4.5 70.8 1.0 N A:GLN257 4.6 72.0 1.0 CB A:ILE82 4.6 72.3 1.0 CD A:LYS260 4.6 79.3 1.0 CA A:GLN257 4.6 74.3 1.0 N A:GLY81 4.6 71.4 1.0 CD A:GLN257 4.6 75.4 1.0 C A:LYS80 4.8 72.0 1.0 CB A:LYS260 4.9 70.8 1.0

Bromine binding site 2 out of 2 in the Crystal Structure of TAM41 From Firmicutes Bacterium, Complex with Ctp-Mg


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 TAM41 From Firmicutes Bacterium, Complex with Ctp-Mg within 5.0Å range: probe atom residue distance (Å) B Occ A:Br304 b:113.8 occ:0.64 N A:ASP47 3.3 76.8 1.0 N A:ASN46 3.3 79.7 1.0 CB A:ASN46 3.7 66.8 1.0 CB A:VAL45 3.8 72.8 1.0 O A:ASP47 3.8 79.4 1.0 CA A:ASN46 3.9 74.4 1.0 CB A:TRP51 4.1 77.4 1.0 C A:ASN46 4.1 75.0 1.0 CD1 A:TRP51 4.1 77.6 1.0 CA A:ASP47 4.3 76.8 1.0 C A:VAL45 4.3 72.7 1.0 CA A:VAL45 4.4 70.5 1.0 C A:ASP47 4.4 78.9 1.0 CB A:ASP47 4.5 78.4 1.0 CG A:TRP51 4.6 74.6 1.0 CG1 A:VAL45 4.6 70.9 1.0 N A:TRP51 4.6 81.9 1.0 ND2 A:ASN46 4.6 77.4 1.0 CG2 A:VAL45 4.7 69.6 1.0 O A:GLU14 4.7 78.4 1.0 CG A:ASN46 4.7 72.7 1.0 CA A:TRP51 4.7 75.8 1.0

K.Kimura, F.Kawai, H.Kubota-Kawai, Y.Watanabe, K.Tomii, R.Kojima, K.Hirata, Y.Yamamori, T.Endo, Y.Tamura. Crystal Structure of TAM41 Cytidine Diphosphate Diacylglycerol Synthase From A Firmicutes Bacterium. J.Biochem. V. 171 429 2022.
ISSN: ISSN 0021-924X
PubMed: 34964897
DOI: 10.1093/JB/MVAB154