Chlorine in PDB 6a9k: Crystal Structure of the Complex of the Hydrolytic Antibody Fab 9C10 with A Transition-State Analog

The structure of Crystal Structure of the Complex of the Hydrolytic Antibody Fab 9C10 with A Transition-State Analog, PDB code: 6a9k was solved by Y.Tsuchiya, I.Fujii, T.Tada, A.Yamaguchi, T.Tsumuraya, A.Kumon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	90.986, 36.553, 111.986, 90.00, 91.50, 90.00
R / Rfree (%)	19.4 / 24.9

The structure of Crystal Structure of the Complex of the Hydrolytic Antibody Fab 9C10 with A Transition-State Analog also contains other interesting chemical elements:

Fluorine

(F)

6 atoms

The binding sites of Chlorine atom in the Crystal Structure of the Complex of the Hydrolytic Antibody Fab 9C10 with A Transition-State Analog (pdb code 6a9k). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of the Complex of the Hydrolytic Antibody Fab 9C10 with A Transition-State Analog, PDB code: 6a9k:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of the Complex of the Hydrolytic Antibody Fab 9C10 with A Transition-State Analog


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the Complex of the Hydrolytic Antibody Fab 9C10 with A Transition-State Analog within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl301 b:33.6 occ:1.00 CL2 H:9T0301 0.0 33.6 1.0 C14 H:9T0301 1.9 32.8 1.0 C13 H:9T0301 2.7 32.5 1.0 CL1 H:9T0301 3.0 42.0 1.0 O6 H:9T0301 3.2 34.0 1.0 CB H:SER52 3.5 22.4 1.0 N1 H:9T0301 3.5 29.0 1.0 CD1 H:ILE33 3.6 19.5 1.0 CA H:SER52 3.8 19.6 1.0 CG1 H:ILE33 3.9 19.3 1.0 CE1 H:TYR58 3.9 23.2 1.0 C16 H:9T0301 4.0 22.6 1.0 C17 H:9T0301 4.0 21.2 1.0 O H:HOH502 4.1 18.9 1.0 OH H:TYR58 4.3 24.7 1.0 N H:SER52 4.3 21.1 1.0 C15 H:9T0301 4.5 23.5 1.0 C18 H:9T0301 4.5 23.1 1.0 CZ H:TYR58 4.6 24.8 1.0 CG2 H:ILE33 4.7 19.8 1.0 C11 H:9T0301 4.8 30.0 1.0 OG H:SER52 4.8 21.8 1.0 CD1 H:TYR58 4.9 20.8 1.0 CB H:TYR56 4.9 26.3 1.0 C20 H:9T0301 4.9 23.5 1.0 C19 H:9T0301 5.0 22.4 1.0 C10 H:9T0301 5.0 26.2 1.0 CB H:ILE33 5.0 19.4 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of the Complex of the Hydrolytic Antibody Fab 9C10 with A Transition-State Analog


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the Complex of the Hydrolytic Antibody Fab 9C10 with A Transition-State Analog within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl301 b:42.0 occ:1.00 CL1 H:9T0301 0.0 42.0 1.0 C14 H:9T0301 1.7 32.8 1.0 C13 H:9T0301 2.7 32.5 1.0 CL2 H:9T0301 3.0 33.6 1.0 O6 H:9T0301 3.1 34.0 1.0 CB H:SER52 3.6 22.4 1.0 CD2 H:TYR56 3.6 35.7 1.0 O10 H:9T0301 3.6 65.2 1.0 N1 H:9T0301 3.7 29.0 1.0 O H:HOH502 3.8 18.9 1.0 O11 H:9T0301 4.2 58.7 1.0 CE2 H:TYR56 4.2 41.3 1.0 CG H:TYR56 4.3 31.4 1.0 C25 H:9T0301 4.3 66.8 1.0 O H:HOH406 4.3 35.0 1.0 OG H:SER52 4.4 21.8 1.0 CB H:TYR56 4.5 26.3 1.0 OH H:TYR58 4.6 24.7 1.0 CA H:SER52 4.8 19.6 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of the Complex of the Hydrolytic Antibody Fab 9C10 with A Transition-State Analog


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the Complex of the Hydrolytic Antibody Fab 9C10 with A Transition-State Analog within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl301 b:48.6 occ:1.00 CL2 B:9T0301 0.0 48.6 1.0 C14 B:9T0301 1.9 52.5 1.0 C13 B:9T0301 2.8 45.2 1.0 CL1 B:9T0301 3.0 58.0 1.0 O6 B:9T0301 3.2 48.8 1.0 CD1 B:ILE33 3.7 33.9 1.0 CB B:SER52 3.8 33.0 1.0 N1 B:9T0301 3.8 45.3 1.0 CG1 B:ILE33 3.8 33.6 1.0 C17 B:9T0301 3.9 37.9 1.0 CA B:SER52 3.9 28.6 1.0 C16 B:9T0301 3.9 39.9 1.0 CE2 B:TYR58 4.1 37.2 1.0 CG2 B:ILE33 4.3 29.4 1.0 O B:HOH445 4.3 31.2 1.0 N B:SER52 4.3 30.0 1.0 OH B:TYR58 4.5 36.9 1.0 C18 B:9T0301 4.6 41.4 1.0 CB B:ILE33 4.7 30.1 1.0 C15 B:9T0301 4.7 38.5 1.0 CZ B:TYR58 4.8 37.3 1.0 CB B:TYR56 4.8 47.8 1.0 CG2 B:THR50 4.9 28.0 1.0 C B:ILE51 5.0 27.9 1.0 CD2 B:TYR58 5.0 34.6 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of the Complex of the Hydrolytic Antibody Fab 9C10 with A Transition-State Analog


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of the Complex of the Hydrolytic Antibody Fab 9C10 with A Transition-State Analog within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl301 b:58.0 occ:1.00 CL1 B:9T0301 0.0 58.0 1.0 C14 B:9T0301 1.8 52.5 1.0 C13 B:9T0301 2.6 45.2 1.0 O6 B:9T0301 3.0 48.8 1.0 CL2 B:9T0301 3.0 48.6 1.0 N1 B:9T0301 3.6 45.3 1.0 CD2 B:TYR56 3.7 55.4 1.0 CB B:SER52 3.9 33.0 1.0 CG B:TYR56 4.1 55.2 1.0 CB B:TYR56 4.2 47.8 1.0 O B:HOH445 4.2 31.2 1.0 CE2 B:TYR56 4.4 57.9 1.0 OH B:TYR58 4.5 36.9 1.0 OG B:SER52 4.8 33.1 1.0 O11 B:9T0301 4.8 73.6 1.0 C11 B:9T0301 4.9 43.4 1.0 CA B:SER52 5.0 28.6 1.0

Y.Tsuchiya, I.Fujii, T.Tada, A.Yamaguchi, T.Tsumuraya, A.Kumon. Crystal Structure of the Complex of the Hydrolytic Antibody Fab 9C10 with A Transition-State Analog To Be Published.