Fluorine in PDB 2vr1: Crystal Structure of Biotin Carboxylase From E. Coli in Complex with Atp Analog, ADPCF2P.

All present enzymatic activity of Crystal Structure of Biotin Carboxylase From E. Coli in Complex with Atp Analog, ADPCF2P.:
6.3.4.14;

The structure of Crystal Structure of Biotin Carboxylase From E. Coli in Complex with Atp Analog, ADPCF2P., PDB code: 2vr1 was solved by I.Mochalkin, G.L.Waldrop, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	84.129, 106.784, 121.910, 90.00, 90.00, 90.00
R / Rfree (%)	18.9 / 24.7

The structure of Crystal Structure of Biotin Carboxylase From E. Coli in Complex with Atp Analog, ADPCF2P. also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Fluorine atom in the Crystal Structure of Biotin Carboxylase From E. Coli in Complex with Atp Analog, ADPCF2P. (pdb code 2vr1). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of Biotin Carboxylase From E. Coli in Complex with Atp Analog, ADPCF2P., PDB code: 2vr1:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of Biotin Carboxylase From E. Coli in Complex with Atp Analog, ADPCF2P.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Biotin Carboxylase From E. Coli in Complex with Atp Analog, ADPCF2P. within 5.0Å range: probe atom residue distance (Å) B Occ A:F1448 b:74.0 occ:0.80 F1B A:ATF1448 0.0 74.0 0.8 C3B A:ATF1448 1.3 73.3 0.8 F2B A:ATF1448 2.1 73.3 0.8 O1A A:ATF1448 2.5 72.0 0.8 PB A:ATF1448 2.6 73.8 0.8 PG A:ATF1448 2.6 72.8 0.8 OE1 A:GLU288 2.6 48.2 1.0 O1G A:ATF1448 2.9 72.4 0.8 O2B A:ATF1448 3.0 73.7 0.8 O2G A:ATF1448 3.1 72.7 0.8 O3A A:ATF1448 3.1 72.8 0.8 PA A:ATF1448 3.3 72.7 0.8 OE1 A:GLU276 3.4 39.5 1.0 CD A:GLU288 3.5 43.6 1.0 O3G A:ATF1448 3.8 72.7 0.8 O1B A:ATF1448 3.8 73.6 0.8 C5' A:ATF1448 3.9 71.8 0.8 OE2 A:GLU288 4.1 47.9 1.0 O5' A:ATF1448 4.1 72.7 0.8 CG A:GLU288 4.4 42.0 1.0 CD A:GLU276 4.5 38.2 1.0 CB A:GLU288 4.5 40.7 1.0 O2A A:ATF1448 4.6 72.7 0.8 OE2 A:GLU276 4.8 40.4 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of Biotin Carboxylase From E. Coli in Complex with Atp Analog, ADPCF2P.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Biotin Carboxylase From E. Coli in Complex with Atp Analog, ADPCF2P. within 5.0Å range: probe atom residue distance (Å) B Occ A:F1448 b:73.3 occ:0.80 F2B A:ATF1448 0.0 73.3 0.8 C3B A:ATF1448 1.3 73.3 0.8 F1B A:ATF1448 2.1 74.0 0.8 PG A:ATF1448 2.6 72.8 0.8 PB A:ATF1448 2.6 73.8 0.8 O3G A:ATF1448 3.0 72.7 0.8 O1G A:ATF1448 3.0 72.4 0.8 O3A A:ATF1448 3.0 72.8 0.8 O1B A:ATF1448 3.1 73.6 0.8 O2G A:ATF1448 3.8 72.7 0.8 O2B A:ATF1448 3.8 73.7 0.8 O1A A:ATF1448 3.9 72.0 0.8 PA A:ATF1448 4.1 72.7 0.8 C5' A:ATF1448 4.2 71.8 0.8 O5' A:ATF1448 4.5 72.7 0.8 OE1 A:GLU276 4.5 39.5 1.0 O A:HIS236 4.7 43.5 1.0 OE1 A:GLU288 4.7 48.2 1.0 NZ A:LYS238 4.9 40.0 1.0

I.Mochalkin, J.R.Miller, A.Evdokimov, S.Lightle, C.Yan, C.K.Stover, G.L.Waldrop. Structural Evidence For Substrate-Induced Synergism and Half-Sites Reactivity in Biotin Carboxylase. Protein Sci. V. 17 1706 2008.
ISSN: ISSN 0961-8368
PubMed: 18725455
DOI: 10.1110/PS.035584.108