Fluorine in PDB 1g18: Reca-Adp-ALF4 Complex

The structure of Reca-Adp-ALF4 Complex, PDB code: 1g18 was solved by S.Datta, M.M.Prabu, M.B.Vaze, N.Ganesh, N.R.Chandra, K.Muniyappa, M.Vijayan, Tb Structural Genomics Consortium (Tbsgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 3.80
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	107.988, 107.988, 72.006, 90.00, 90.00, 120.00
R / Rfree (%)	21.5 / 27.7

The structure of Reca-Adp-ALF4 Complex also contains other interesting chemical elements:

Aluminium

(Al)

1 atom

The binding sites of Fluorine atom in the Reca-Adp-ALF4 Complex (pdb code 1g18). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Reca-Adp-ALF4 Complex, PDB code: 1g18:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Reca-Adp-ALF4 Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Reca-Adp-ALF4 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:51.1 occ:1.00 F1 A:ALF501 0.0 51.1 1.0 AL A:ALF501 1.8 51.1 1.0 N A:SER70 2.2 2.0 1.0 F4 A:ALF501 2.4 51.1 1.0 F3 A:ALF501 2.6 51.1 1.0 CA A:GLU69 2.6 4.9 1.0 O3B A:ADP502 2.6 51.1 1.0 C A:GLU69 2.6 4.9 1.0 O A:PRO68 3.1 20.5 1.0 CA A:SER70 3.2 2.0 1.0 F2 A:ALF501 3.5 51.1 1.0 CB A:GLU69 3.6 99.9 1.0 N A:GLU69 3.6 4.9 1.0 C A:PRO68 3.7 2.0 1.0 O A:GLU69 3.8 39.4 1.0 N A:SER71 3.9 22.6 1.0 C A:SER70 4.0 2.0 1.0 PB A:ADP502 4.1 51.1 1.0 NE2 A:GLN195 4.1 44.8 1.0 NZ A:LYS73 4.1 16.4 1.0 CG A:GLU69 4.1 99.9 1.0 O3A A:ADP502 4.3 51.1 1.0 OG A:SER71 4.4 24.5 1.0 CB A:SER70 4.4 52.5 1.0 OG A:SER70 4.6 52.5 1.0 O1B A:ADP502 4.8 51.1 1.0 O2B A:ADP502 4.9 51.1 1.0 CD A:GLN195 4.9 44.8 1.0 CG A:LYS73 5.0 16.4 1.0 O A:SER70 5.0 54.5 1.0

Fluorine binding site 2 out of 4 in the Reca-Adp-ALF4 Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Reca-Adp-ALF4 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:51.1 occ:1.00 F2 A:ALF501 0.0 51.1 1.0 AL A:ALF501 1.8 51.1 1.0 O3A A:ADP502 2.1 51.1 1.0 F3 A:ALF501 2.5 51.1 1.0 F4 A:ALF501 2.5 51.1 1.0 O3B A:ADP502 2.7 51.1 1.0 PB A:ADP502 2.8 51.1 1.0 O2A A:ADP502 3.2 51.1 1.0 O1B A:ADP502 3.2 51.1 1.0 PA A:ADP502 3.3 51.1 1.0 F1 A:ALF501 3.5 51.1 1.0 CB A:THR74 4.0 7.5 1.0 O1A A:ADP502 4.1 51.1 1.0 OG1 A:THR74 4.1 7.5 1.0 O2B A:ADP502 4.2 51.1 1.0 O5' A:ADP502 4.3 51.1 1.0 C5' A:ADP502 4.5 51.1 1.0 CG2 A:THR74 4.8 7.5 1.0 N A:THR74 4.9 2.0 1.0 N A:SER70 5.0 2.0 1.0

Fluorine binding site 3 out of 4 in the Reca-Adp-ALF4 Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Reca-Adp-ALF4 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:51.1 occ:1.00 F3 A:ALF501 0.0 51.1 1.0 AL A:ALF501 1.8 51.1 1.0 F2 A:ALF501 2.5 51.1 1.0 O3B A:ADP502 2.6 51.1 1.0 F1 A:ALF501 2.6 51.1 1.0 O3A A:ADP502 2.7 51.1 1.0 CA A:SER70 2.9 2.0 1.0 N A:SER70 2.9 2.0 1.0 C5' A:ADP502 3.1 51.1 1.0 OG A:SER70 3.1 52.5 1.0 PB A:ADP502 3.3 51.1 1.0 O2A A:ADP502 3.5 51.1 1.0 F4 A:ALF501 3.6 51.1 1.0 PA A:ADP502 3.6 51.1 1.0 O5' A:ADP502 3.6 51.1 1.0 CB A:SER70 3.6 52.5 1.0 N A:SER71 3.9 22.6 1.0 C A:SER70 3.9 2.0 1.0 O2B A:ADP502 4.0 51.1 1.0 C A:GLU69 4.2 4.9 1.0 C4' A:ADP502 4.5 51.1 1.0 O1B A:ADP502 4.5 51.1 1.0 CA A:GLU69 4.7 4.9 1.0 O1A A:ADP502 4.9 51.1 1.0 C3' A:ADP502 5.0 51.1 1.0

Fluorine binding site 4 out of 4 in the Reca-Adp-ALF4 Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Reca-Adp-ALF4 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:51.1 occ:1.00 F4 A:ALF501 0.0 51.1 1.0 AL A:ALF501 1.8 51.1 1.0 F1 A:ALF501 2.4 51.1 1.0 F2 A:ALF501 2.5 51.1 1.0 O3B A:ADP502 2.6 51.1 1.0 NE2 A:GLN195 2.7 44.8 1.0 F3 A:ALF501 3.6 51.1 1.0 PB A:ADP502 3.6 51.1 1.0 NZ A:LYS73 3.6 16.4 1.0 O1B A:ADP502 3.6 51.1 1.0 O3A A:ADP502 3.9 51.1 1.0 CD A:GLN195 4.0 44.8 1.0 CE A:LYS73 4.1 16.4 1.0 CG A:LYS73 4.4 16.4 1.0 CA A:GLU69 4.5 4.9 1.0 N A:SER70 4.5 2.0 1.0 O A:PRO68 4.6 20.5 1.0 OE1 A:GLN195 4.6 44.8 1.0 CB A:LYS73 4.7 16.4 1.0 CD A:LYS73 4.8 16.4 1.0 O2B A:ADP502 4.9 51.1 1.0 CG A:GLN195 4.9 44.8 1.0 OG1 A:THR74 4.9 7.5 1.0 C A:GLU69 5.0 4.9 1.0

S.Datta, M.M.Prabu, M.B.Vaze, N.Ganesh, N.R.Chandra, K.Muniyappa, M.Vijayan. Crystal Structures of Mycobacterium Tuberculosis Reca and Its Complex with Adp-Alf(4): Implications For Decreased Atpase Activity and Molecular Aggregation Nucleic Acids Res. V. 28 4964 2000.
ISSN: ISSN 0305-1048
PubMed: 11121488
DOI: 10.1093/NAR/28.24.4964