Chlorine in PDB 6il3: Crystal Structure of the FLT3 Kinase Bound to A Small Molecule Inhibitor

All present enzymatic activity of Crystal Structure of the FLT3 Kinase Bound to A Small Molecule Inhibitor:
2.7.10.1;

The structure of Crystal Structure of the FLT3 Kinase Bound to A Small Molecule Inhibitor, PDB code: 6il3 was solved by C.J.Thomas, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.50 / 2.50
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	81.641, 81.641, 147.843, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 21.9

The binding sites of Chlorine atom in the Crystal Structure of the FLT3 Kinase Bound to A Small Molecule Inhibitor (pdb code 6il3). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of the FLT3 Kinase Bound to A Small Molecule Inhibitor, PDB code: 6il3:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of the FLT3 Kinase Bound to A Small Molecule Inhibitor


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 FLT3 Kinase Bound to A Small Molecule Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1018 b:88.0 occ:1.00 OD1 A:ASP829 2.7 82.3 1.0 N A:PHE830 3.4 57.7 1.0 N A:GLY831 3.5 68.4 1.0 OD1 A:ASN816 3.5 57.3 1.0 ND2 A:ASN816 3.5 51.9 1.0 CB A:GLN575 3.6 67.8 1.0 CG A:GLN575 3.6 71.9 1.0 OD2 A:ASP811 3.6 53.5 1.0 CG A:ASN816 3.7 50.6 1.0 CG A:ASP829 3.8 82.3 1.0 CA A:ASP829 3.8 65.3 1.0 C A:ASP829 3.9 59.7 1.0 CA A:GLY831 3.9 73.7 1.0 CB A:ASP811 4.1 49.9 1.0 CE1 A:HIS809 4.1 50.0 1.0 CG A:ASP811 4.2 52.2 1.0 C A:PHE830 4.2 65.9 1.0 CB A:ASP829 4.2 73.5 1.0 CA A:PHE830 4.3 62.6 1.0 NH2 A:ARG834 4.4 72.9 0.5 NH1 A:ARG834 4.4 72.7 0.5 O A:CYS828 4.8 51.4 1.0 OD2 A:ASP829 4.8 87.0 1.0 O A:ASP811 4.9 44.2 1.0 CA A:GLN575 4.9 61.5 1.0 NE2 A:HIS809 4.9 44.6 1.0 N A:GLN575 4.9 59.8 1.0 CB A:ASN816 4.9 51.6 1.0 O A:ASP829 4.9 52.5 1.0 CB A:PHE830 5.0 67.3 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of the FLT3 Kinase Bound to A Small Molecule Inhibitor


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 FLT3 Kinase Bound to A Small Molecule Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1019 b:92.5 occ:1.00 O A:HOH1123 2.6 64.3 1.0 O A:ASP835 3.7 88.2 1.0 CG A:TYR842 3.9 49.1 1.0 CD2 A:TYR842 4.0 47.5 1.0 CD1 A:TYR842 4.1 47.5 1.0 C A:ASP835 4.2 90.8 1.0 CB A:ARG834 4.2 75.5 0.5 CE2 A:TYR842 4.3 46.1 1.0 CE1 A:TYR842 4.3 48.0 1.0 CB A:ARG834 4.4 78.6 0.5 CZ A:TYR842 4.4 48.9 1.0 O A:ARG834 4.4 79.1 0.5 C A:ARG834 4.5 81.1 0.5 CB A:TYR842 4.5 50.0 1.0 N A:ASP835 4.5 85.9 1.0 C A:ARG834 4.5 80.1 0.5 O A:ARG834 4.5 78.8 0.5 CD A:ARG834 4.5 76.8 0.5 CA A:ASP835 4.6 88.0 1.0 CB A:ARG849 4.6 57.8 1.0 CD A:ARG834 4.7 82.1 0.5 N A:ILE836 4.9 95.4 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of the FLT3 Kinase Bound to A Small Molecule Inhibitor


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 FLT3 Kinase Bound to A Small Molecule Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1020 b:0.6 occ:1.00 NH2 A:ARG834 2.6 71.5 0.5 NE A:ARG834 2.9 82.5 0.5 CD A:ARG834 3.3 82.1 0.5 OD2 A:ASP839 3.5 93.9 1.0 CG A:ARG834 3.5 79.8 0.5 CD A:ARG834 3.6 76.8 0.5 CG A:ARG834 3.7 75.0 0.5 CZ A:ARG834 3.8 74.0 0.5 CZ A:ARG834 4.0 77.0 0.5 NE A:ARG834 4.2 74.7 0.5 OG A:SER838 4.2 0.6 1.0 O A:HOH1119 4.2 62.4 1.0 NH1 A:ARG834 4.3 73.0 0.5 CE2 A:PHE830 4.4 86.9 1.0 CD2 A:PHE830 4.6 79.9 1.0 CG A:ASP839 4.8 94.3 1.0 C1 A:A9R1001 4.8 78.4 0.5 CB A:ARG815 4.9 43.7 1.0 NH1 A:ARG834 4.9 72.7 0.5 CD A:ARG815 4.9 44.4 1.0

C.J.Thomas, C.J.Thomas. N/A N/A.