Fluorine in PDB 1ct8: Catalytic Antibody 7C8 Complex

The structure of Catalytic Antibody 7C8 Complex, PDB code: 1ct8 was solved by B.Gigant, T.Tsumuraya, I.Fujii, M.Knossow, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	14.30 / 2.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	54.558, 65.612, 117.761, 90.00, 95.56, 90.00
R / Rfree (%)	21.1 / 27.5

The structure of Catalytic Antibody 7C8 Complex also contains other interesting chemical elements:

Chlorine

(Cl)

4 atoms

The binding sites of Fluorine atom in the Catalytic Antibody 7C8 Complex (pdb code 1ct8). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Catalytic Antibody 7C8 Complex, PDB code: 1ct8:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in the Catalytic Antibody 7C8 Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Catalytic Antibody 7C8 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:F550 b:51.3 occ:1.00 F1 B:TAA550 0.0 51.3 1.0 C9 B:TAA550 1.4 55.4 1.0 F2 B:TAA550 2.3 54.9 1.0 F3 B:TAA550 2.3 57.4 1.0 C8 B:TAA550 2.4 53.0 1.0 N1 B:TAA550 2.6 43.1 1.0 O D:SER54 3.4 17.2 1.0 O4 B:TAA550 3.6 56.1 1.0 C5 B:TAA550 4.1 31.5 1.0 C D:SER54 4.7 14.6 1.0 C4 B:TAA550 4.8 23.6 1.0

Fluorine binding site 2 out of 6 in the Catalytic Antibody 7C8 Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Catalytic Antibody 7C8 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:F550 b:54.9 occ:1.00 F2 B:TAA550 0.0 54.9 1.0 C9 B:TAA550 1.4 55.4 1.0 F1 B:TAA550 2.3 51.3 1.0 F3 B:TAA550 2.3 57.4 1.0 C8 B:TAA550 2.4 53.0 1.0 O4 B:TAA550 2.7 56.1 1.0 N1 B:TAA550 3.5 43.1 1.0 C5 B:TAA550 4.7 31.5 1.0 CE1 B:TYR97 5.0 13.2 1.0

Fluorine binding site 3 out of 6 in the Catalytic Antibody 7C8 Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Catalytic Antibody 7C8 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:F550 b:57.4 occ:1.00 F3 B:TAA550 0.0 57.4 1.0 C9 B:TAA550 1.4 55.4 1.0 F2 B:TAA550 2.3 54.9 1.0 F1 B:TAA550 2.3 51.3 1.0 C8 B:TAA550 2.4 53.0 1.0 O4 B:TAA550 3.0 56.1 1.0 CE1 B:TYR97 3.2 13.2 1.0 N1 B:TAA550 3.2 43.1 1.0 O D:SER54 3.5 17.2 1.0 CD1 B:TYR97 3.8 13.2 1.0 CZ B:TYR97 4.3 16.6 1.0 C5 B:TAA550 4.5 31.5 1.0 C D:SER54 4.5 14.6 1.0 OH B:TYR97 4.5 28.2 1.0 CA D:SER54 4.8 11.8 1.0

Fluorine binding site 4 out of 6 in the Catalytic Antibody 7C8 Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Catalytic Antibody 7C8 Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:F551 b:41.9 occ:1.00 F1 D:TAA551 0.0 41.9 1.0 C9 D:TAA551 1.4 43.0 1.0 F2 D:TAA551 2.3 44.9 1.0 F3 D:TAA551 2.3 41.3 1.0 C8 D:TAA551 2.5 43.0 1.0 N1 D:TAA551 2.7 36.4 1.0 O B:SER54 3.1 16.1 1.0 O4 D:TAA551 3.6 47.8 1.0 C5 D:TAA551 4.1 29.5 1.0 C B:SER54 4.3 15.1 1.0 CA B:GLY55 4.7 7.2 1.0 C4 D:TAA551 4.8 21.7 1.0 C B:GLY55 5.0 12.5 1.0

Fluorine binding site 5 out of 6 in the Catalytic Antibody 7C8 Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Catalytic Antibody 7C8 Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:F551 b:44.9 occ:1.00 F2 D:TAA551 0.0 44.9 1.0 C9 D:TAA551 1.4 43.0 1.0 F3 D:TAA551 2.2 41.3 1.0 F1 D:TAA551 2.3 41.9 1.0 C8 D:TAA551 2.4 43.0 1.0 N1 D:TAA551 3.0 36.4 1.0 O4 D:TAA551 3.1 47.8 1.0 C5 D:TAA551 4.4 29.5 1.0 C6 D:TAA551 4.8 24.2 1.0 O B:SER54 5.0 16.1 1.0

Fluorine binding site 6 out of 6 in the Catalytic Antibody 7C8 Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Catalytic Antibody 7C8 Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:F551 b:41.3 occ:1.00 F3 D:TAA551 0.0 41.3 1.0 C9 D:TAA551 1.4 43.0 1.0 F2 D:TAA551 2.2 44.9 1.0 F1 D:TAA551 2.3 41.9 1.0 C8 D:TAA551 2.4 43.0 1.0 O4 D:TAA551 2.7 47.8 1.0 N1 D:TAA551 3.5 36.4 1.0 O B:SER54 4.0 16.1 1.0 CE1 D:TYR97 4.2 22.7 1.0 CD1 D:TYR97 4.8 19.7 1.0 C5 D:TAA551 4.8 29.5 1.0

B.Gigant, T.Tsumuraya, I.Fujii, M.Knossow. Diverse Structural Solutions to Catalysis in A Family of Antibodies. Structure Fold.Des. V. 7 1385 1999.
ISSN: ISSN 0969-2126
PubMed: 10574796
DOI: 10.1016/S0969-2126(00)80028-3