Chlorine in PDB 6p69: Crystal Structure of FGFR1-Y563C (FGFR4 Surrogate) Covalently Bound to Compound 11.

All present enzymatic activity of Crystal Structure of FGFR1-Y563C (FGFR4 Surrogate) Covalently Bound to Compound 11.:
2.7.10.1;

The structure of Crystal Structure of FGFR1-Y563C (FGFR4 Surrogate) Covalently Bound to Compound 11., PDB code: 6p69 was solved by N.A.Larsen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.11 / 2.20
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	205.365, 58.516, 66.131, 90.00, 107.31, 90.00
R / Rfree (%)	18.6 / 24.5

The binding sites of Chlorine atom in the Crystal Structure of FGFR1-Y563C (FGFR4 Surrogate) Covalently Bound to Compound 11. (pdb code 6p69). 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 FGFR1-Y563C (FGFR4 Surrogate) Covalently Bound to Compound 11., PDB code: 6p69:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of FGFR1-Y563C (FGFR4 Surrogate) Covalently Bound to Compound 11.


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 FGFR1-Y563C (FGFR4 Surrogate) Covalently Bound to Compound 11. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl804 b:32.6 occ:1.00 CL2 A:O21804 0.0 32.6 1.0 C30 A:O21804 1.6 26.8 1.0 C2 A:O21804 2.6 27.0 1.0 C7 A:O21804 2.6 25.3 1.0 O1 A:O21804 2.7 27.8 1.0 N1 A:O21804 2.8 25.2 1.0 CB A:ALA640 3.2 23.2 1.0 C8 A:O21804 3.5 27.2 1.0 CA A:ALA640 3.7 22.9 1.0 CG2 A:ILE545 3.8 19.9 1.0 N A:ASP641 3.9 24.6 1.0 C3 A:O21804 3.9 25.7 1.0 C6 A:O21804 3.9 25.9 1.0 O3 A:O21804 4.0 31.5 1.0 CG1 A:ILE545 4.0 20.5 1.0 CB A:ILE545 4.1 19.3 1.0 N8 A:O21804 4.1 26.1 1.0 CD1 A:LEU630 4.1 28.3 1.0 C1 A:O21804 4.1 28.6 1.0 C A:ALA640 4.3 24.1 1.0 C4 A:O21804 4.4 25.8 1.0 N2 A:O21804 4.4 28.6 1.0 C17 A:O21804 4.6 27.7 1.0 CA A:ASP641 4.8 27.3 1.0 OD2 A:ASP641 4.8 47.5 1.0 CD1 A:ILE545 4.9 20.3 1.0 C29 A:O21804 4.9 24.9 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of FGFR1-Y563C (FGFR4 Surrogate) Covalently Bound to Compound 11.


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 FGFR1-Y563C (FGFR4 Surrogate) Covalently Bound to Compound 11. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl804 b:24.8 occ:1.00 CL1 A:O21804 0.0 24.8 1.0 C6 A:O21804 1.8 25.9 1.0 C4 A:O21804 2.7 25.8 1.0 C7 A:O21804 2.8 25.3 1.0 O2 A:O21804 2.8 23.1 1.0 N1 A:O21804 3.1 25.2 1.0 O3 A:O21804 3.5 31.5 1.0 C8 A:O21804 3.6 27.2 1.0 CB A:LYS514 3.7 30.0 1.0 CG2 A:VAL492 3.7 32.5 1.0 N A:LYS514 3.8 28.0 1.0 CG2 A:VAL561 3.8 20.9 1.0 CG1 A:VAL492 3.9 32.5 1.0 C A:VAL513 4.0 29.0 1.0 C30 A:O21804 4.0 26.8 1.0 C3 A:O21804 4.1 25.7 1.0 CA A:LYS514 4.1 27.8 1.0 O A:ALA512 4.3 23.9 1.0 C5 A:O21804 4.3 23.7 1.0 CB A:ALA512 4.3 23.0 1.0 C A:ALA512 4.3 22.6 1.0 N A:VAL513 4.3 27.1 1.0 O A:VAL513 4.4 28.6 1.0 CB A:VAL492 4.5 31.0 1.0 CE A:LYS514 4.5 37.5 1.0 CA A:VAL513 4.5 27.6 1.0 N2 A:O21804 4.5 28.6 1.0 C2 A:O21804 4.5 27.0 1.0 CG1 A:VAL561 4.6 22.7 1.0 CG A:LYS514 4.6 31.9 1.0 O A:VAL559 4.8 22.0 1.0 CB A:VAL561 4.8 22.3 1.0 CA A:ALA512 5.0 21.1 1.0 N8 A:O21804 5.0 26.1 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of FGFR1-Y563C (FGFR4 Surrogate) Covalently Bound to Compound 11.


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 FGFR1-Y563C (FGFR4 Surrogate) Covalently Bound to Compound 11. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl804 b:27.6 occ:1.00 CL2 B:O21804 0.0 27.6 1.0 C30 B:O21804 1.7 26.0 1.0 C2 B:O21804 2.6 24.3 1.0 C7 B:O21804 2.7 25.5 1.0 O1 B:O21804 2.8 23.1 1.0 N1 B:O21804 2.9 23.7 1.0 CB B:ALA640 3.2 22.3 1.0 CA B:ALA640 3.5 22.1 1.0 C8 B:O21804 3.6 28.7 1.0 N B:ASP641 3.7 23.5 1.0 CG1 B:ILE545 3.9 19.1 1.0 CG2 B:ILE545 3.9 19.7 1.0 C3 B:O21804 3.9 23.5 1.0 CB B:ILE545 4.0 19.5 1.0 C6 B:O21804 4.0 24.2 1.0 O3 B:O21804 4.0 29.3 1.0 CD1 B:LEU630 4.1 25.7 1.0 N8 B:O21804 4.1 24.5 1.0 C B:ALA640 4.1 22.4 1.0 C1 B:O21804 4.1 21.1 1.0 N2 B:O21804 4.4 29.1 1.0 C4 B:O21804 4.4 23.0 1.0 C17 B:O21804 4.6 27.8 1.0 CA B:ASP641 4.6 25.6 1.0 O B:HOH909 4.6 35.9 1.0 C29 B:O21804 4.8 24.4 1.0 N B:ALA640 4.8 20.5 1.0 CD1 B:ILE545 4.9 19.2 1.0 CB B:ASP641 5.0 30.1 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of FGFR1-Y563C (FGFR4 Surrogate) Covalently Bound to Compound 11.


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 FGFR1-Y563C (FGFR4 Surrogate) Covalently Bound to Compound 11. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl804 b:26.3 occ:1.00 CL1 B:O21804 0.0 26.3 1.0 C6 B:O21804 1.7 24.2 1.0 C4 B:O21804 2.7 23.0 1.0 C7 B:O21804 2.7 25.5 1.0 O2 B:O21804 2.8 22.9 1.0 N1 B:O21804 3.0 23.7 1.0 C8 B:O21804 3.5 28.7 1.0 O3 B:O21804 3.6 29.3 1.0 CB B:LYS514 3.6 20.2 1.0 N B:LYS514 3.7 20.4 1.0 CG2 B:VAL561 3.8 21.3 1.0 CG1 B:VAL492 3.9 26.6 1.0 C3 B:O21804 4.0 23.5 1.0 CG2 B:VAL492 4.0 24.5 1.0 C30 B:O21804 4.0 26.0 1.0 C B:VAL513 4.1 20.8 1.0 CA B:LYS514 4.1 23.2 1.0 C5 B:O21804 4.2 20.0 1.0 CB B:ALA512 4.2 24.5 1.0 C B:ALA512 4.3 23.5 1.0 O B:ALA512 4.3 22.6 1.0 O B:HOH909 4.3 35.9 1.0 N B:VAL513 4.3 22.7 1.0 CD B:LYS514 4.4 23.5 1.0 C2 B:O21804 4.5 24.3 1.0 CG1 B:VAL561 4.5 22.7 1.0 N2 B:O21804 4.5 29.1 1.0 CG B:LYS514 4.5 22.0 1.0 CB B:VAL492 4.6 24.9 1.0 CA B:VAL513 4.6 21.4 1.0 O B:VAL513 4.6 21.3 1.0 O B:VAL559 4.6 21.3 1.0 CB B:VAL561 4.8 22.0 1.0 CA B:ALA512 4.9 23.1 1.0 N8 B:O21804 4.9 24.5 1.0

S.Prajapati, N.A.Larsen. N/A N/A.