Chlorine 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:

Fluorine

(F)

6 atoms

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

Chlorine binding site 1 out of 4 in the Catalytic Antibody 7C8 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Catalytic Antibody 7C8 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl550 b:13.9 occ:1.00 CL1 B:TAA550 0.0 13.9 1.0 C14 B:TAA550 1.7 19.0 1.0 C13 B:TAA550 2.6 24.6 1.0 CL2 B:TAA550 2.9 16.5 1.0 O6 B:TAA550 3.0 29.2 1.0 N2 B:TAA550 3.6 21.3 1.0 CG A:ARG94 3.7 11.3 1.0 C A:GLY93 3.7 16.1 1.0 O A:HIS92 3.7 18.5 1.0 C A:HIS92 3.7 17.5 1.0 CD2 A:LEU96 3.7 10.0 1.0 O A:GLY93 3.8 16.4 1.0 O A:THR91 3.8 15.3 1.0 N A:GLY93 3.9 16.4 1.0 N A:ARG94 4.0 13.7 1.0 C A:THR91 4.0 14.6 1.0 CA A:GLY93 4.0 17.8 1.0 O B:HOH559 4.1 9.4 1.0 N A:HIS92 4.3 13.6 1.0 CH2 B:TRP50 4.3 6.1 1.0 NE A:ARG94 4.4 10.4 1.0 CA A:HIS92 4.4 18.3 1.0 C20 B:TAA550 4.5 11.0 1.0 CA A:ARG94 4.5 13.7 1.0 CZ3 B:TRP50 4.6 6.4 1.0 CD A:ARG94 4.6 9.9 1.0 CB A:ARG94 4.6 11.1 1.0 CA A:THR91 4.7 13.3 1.0 C19 B:TAA550 4.8 13.8 1.0 C11 B:TAA550 4.8 17.4 1.0

Chlorine binding site 2 out of 4 in the Catalytic Antibody 7C8 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Catalytic Antibody 7C8 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl550 b:16.5 occ:1.00 CL2 B:TAA550 0.0 16.5 1.0 C14 B:TAA550 1.8 19.0 1.0 C13 B:TAA550 2.7 24.6 1.0 CL1 B:TAA550 2.9 13.9 1.0 O6 B:TAA550 3.0 29.2 1.0 O A:HIS92 3.3 18.5 1.0 O A:HOH576 3.4 21.5 1.0 N2 B:TAA550 3.7 21.3 1.0 O A:HOH561 3.7 16.9 1.0 O B:HOH560 3.8 18.9 1.0 NE A:ARG94 3.8 10.4 1.0 CG A:ARG94 3.9 11.3 1.0 C A:HIS92 4.1 17.5 1.0 CD A:ARG94 4.1 9.9 1.0 CA A:GLY93 4.1 17.8 1.0 N A:ARG94 4.2 13.7 1.0 NH1 C:ARG94 4.2 13.3 1.0 C A:GLY93 4.4 16.1 1.0 N A:GLY93 4.5 16.4 1.0 O5 B:TAA550 4.6 20.8 1.0 CB A:ARG94 4.7 11.1 1.0 O B:HOH559 4.8 9.4 1.0 CZ A:ARG94 4.8 14.2 1.0 C11 B:TAA550 4.9 17.4 1.0

Chlorine binding site 3 out of 4 in the Catalytic Antibody 7C8 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Catalytic Antibody 7C8 Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl551 b:17.9 occ:1.00 CL1 D:TAA551 0.0 17.9 1.0 C14 D:TAA551 1.8 11.9 1.0 C13 D:TAA551 2.7 14.1 1.0 CL2 D:TAA551 2.9 16.8 1.0 O6 D:TAA551 3.3 15.4 1.0 N2 D:TAA551 3.5 10.2 1.0 CD2 C:LEU96 3.7 11.1 1.0 C C:HIS92 3.7 11.4 1.0 O C:THR91 3.7 17.0 1.0 CG C:ARG94 3.7 12.3 1.0 O C:HIS92 3.8 10.3 1.0 C C:GLY93 3.8 18.6 1.0 O C:GLY93 3.9 19.1 1.0 N C:GLY93 3.9 15.0 1.0 C C:THR91 4.0 19.1 1.0 O C:HOH550 4.0 11.5 1.0 CA C:GLY93 4.1 15.2 1.0 N C:ARG94 4.1 11.3 1.0 N C:HIS92 4.2 15.9 1.0 CH2 D:TRP50 4.3 8.2 1.0 CA C:HIS92 4.3 12.7 1.0 NE C:ARG94 4.4 12.1 1.0 C20 D:TAA551 4.4 18.0 1.0 CA C:ARG94 4.6 12.6 1.0 CZ3 D:TRP50 4.6 10.7 1.0 CD C:ARG94 4.7 5.8 1.0 CB C:ARG94 4.7 11.9 1.0 C11 D:TAA551 4.7 15.1 1.0 CA C:THR91 4.7 14.7 1.0 C19 D:TAA551 4.8 16.4 1.0

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


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Catalytic Antibody 7C8 Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl551 b:16.8 occ:1.00 CL2 D:TAA551 0.0 16.8 1.0 C14 D:TAA551 1.8 11.9 1.0 C13 D:TAA551 2.6 14.1 1.0 CL1 D:TAA551 2.9 17.9 1.0 O6 D:TAA551 2.9 15.4 1.0 O C:HIS92 3.4 10.3 1.0 N2 D:TAA551 3.7 10.2 1.0 NE C:ARG94 3.7 12.1 1.0 O D:HOH562 3.8 20.8 1.0 CG C:ARG94 3.8 12.3 1.0 O C:HOH569 4.0 33.8 1.0 CD C:ARG94 4.1 5.8 1.0 N C:ARG94 4.1 11.3 1.0 CA C:GLY93 4.1 15.2 1.0 C C:HIS92 4.2 11.4 1.0 NH1 A:ARG94 4.3 15.7 1.0 C C:GLY93 4.4 18.6 1.0 N C:GLY93 4.5 15.0 1.0 O5 D:TAA551 4.6 11.4 1.0 CZ C:ARG94 4.7 9.4 1.0 CB C:ARG94 4.7 11.9 1.0 O C:HOH550 4.8 11.5 1.0 C11 D:TAA551 4.9 15.1 1.0 NH2 C:ARG94 5.0 12.0 1.0 CA C:ARG94 5.0 12.6 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