Chlorine in PDB 6c18: FGFR1 Kinase Complex with Inhibitor SN37115

All present enzymatic activity of FGFR1 Kinase Complex with Inhibitor SN37115:
2.7.10.1;

The structure of FGFR1 Kinase Complex with Inhibitor SN37115, PDB code: 6c18 was solved by Y.Yosaatmadja, J.B.Smaill, C.J.Squire, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.78 / 2.30
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	208.962, 49.837, 65.085, 90.00, 106.19, 90.00
R / Rfree (%)	22.3 / 26.7

The binding sites of Chlorine atom in the FGFR1 Kinase Complex with Inhibitor SN37115 (pdb code 6c18). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the FGFR1 Kinase Complex with Inhibitor SN37115, PDB code: 6c18:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the FGFR1 Kinase Complex with Inhibitor SN37115


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of FGFR1 Kinase Complex with Inhibitor SN37115 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl801 b:41.5 occ:1.00 CLL A:YY5801 0.0 41.5 1.0 CAD A:YY5801 1.7 40.7 1.0 CAC A:YY5801 2.5 38.2 1.0 CAE A:YY5801 2.7 39.5 1.0 NAM A:YY5801 2.7 35.1 1.0 OAH A:YY5801 3.0 41.6 1.0 CB A:ALA640 3.1 29.7 1.0 CAR A:YY5801 3.5 32.5 1.0 CAI A:YY5801 3.6 42.1 1.0 CA A:ALA640 3.7 30.9 1.0 CAN A:YY5801 3.7 32.7 1.0 N A:ASP641 3.8 34.1 1.0 OAW A:YY5801 3.8 32.2 1.0 CAB A:YY5801 3.9 39.9 1.0 CD1 A:LEU630 3.9 30.6 1.0 CG1 A:ILE545 3.9 31.1 1.0 CAF A:YY5801 4.0 39.3 1.0 CG2 A:ILE545 4.2 31.0 1.0 CB A:ILE545 4.2 30.5 1.0 OD1 A:ASP641 4.2 51.5 1.0 C A:ALA640 4.3 32.8 1.0 C5 A:YY5801 4.4 30.7 1.0 CAA A:YY5801 4.4 39.5 1.0 NAQ A:YY5801 4.5 33.2 1.0 CG A:LEU630 4.6 29.9 1.0 CD1 A:ILE545 4.6 30.7 1.0 C4 A:YY5801 4.7 29.8 1.0 CA A:ASP641 4.8 37.6 1.0 O A:HOH902 4.8 39.2 1.0 N A:ALA640 4.9 29.5 1.0

Chlorine binding site 2 out of 4 in the FGFR1 Kinase Complex with Inhibitor SN37115


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of FGFR1 Kinase Complex with Inhibitor SN37115 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl801 b:42.6 occ:1.00 CLK A:YY5801 0.0 42.6 1.0 CAB A:YY5801 1.6 39.9 1.0 CAA A:YY5801 2.6 39.5 1.0 CAC A:YY5801 2.7 38.2 1.0 OAG A:YY5801 2.7 38.0 1.0 NAM A:YY5801 3.1 35.1 1.0 CAN A:YY5801 3.2 32.7 1.0 CAR A:YY5801 3.4 32.5 1.0 OAW A:YY5801 3.6 32.2 1.0 CG2 A:VAL561 3.6 28.9 1.0 CG2 A:VAL492 3.6 39.6 1.0 CG1 A:VAL492 3.7 39.3 1.0 CB A:LYS514 3.7 38.7 1.0 CAF A:YY5801 3.9 39.3 1.0 CAD A:YY5801 3.9 40.7 1.0 O A:HOH902 4.0 39.2 1.0 CD A:LYS514 4.1 38.7 1.0 CAJ A:YY5801 4.1 36.9 1.0 N A:LYS514 4.2 37.9 1.0 NAQ A:YY5801 4.3 33.2 1.0 CB A:VAL492 4.3 40.4 1.0 C5 A:YY5801 4.3 30.7 1.0 CG A:LYS514 4.3 39.5 1.0 CA A:LYS514 4.4 39.0 1.0 CAE A:YY5801 4.4 39.5 1.0 CB A:ALA512 4.5 30.2 1.0 C A:VAL513 4.6 37.8 1.0 C4 A:YY5801 4.8 29.8 1.0 O A:ALA512 4.8 32.7 1.0 C A:ALA512 4.8 32.8 1.0 CG1 A:VAL561 4.8 30.5 1.0 CB A:VAL561 4.8 29.6 1.0 O A:VAL513 4.9 40.2 1.0 N A:VAL513 5.0 33.7 1.0

Chlorine binding site 3 out of 4 in the FGFR1 Kinase Complex with Inhibitor SN37115


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of FGFR1 Kinase Complex with Inhibitor SN37115 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl801 b:47.2 occ:1.00 CLL B:YY5801 0.0 47.2 1.0 CAD B:YY5801 1.7 43.8 1.0 CAC B:YY5801 2.5 41.9 1.0 NAM B:YY5801 2.7 39.4 1.0 CAE B:YY5801 2.7 41.9 1.0 OAH B:YY5801 3.0 39.9 1.0 CB B:ALA640 3.2 32.8 1.0 CAR B:YY5801 3.5 38.5 1.0 CAN B:YY5801 3.5 37.1 1.0 CA B:ALA640 3.6 32.9 1.0 N B:ASP641 3.7 39.1 1.0 CG1 B:ILE545 3.8 34.6 1.0 OAW B:YY5801 3.8 36.4 1.0 CD1 B:LEU630 3.8 44.2 1.0 CAB B:YY5801 3.9 42.6 1.0 CAF B:YY5801 4.0 39.0 1.0 CG2 B:ILE545 4.0 35.7 1.0 CB B:ILE545 4.1 35.2 1.0 C B:ALA640 4.2 35.4 1.0 C5 B:YY5801 4.3 35.8 1.0 CAI B:YY5801 4.3 40.1 1.0 CAA B:YY5801 4.4 41.9 1.0 NAQ B:YY5801 4.5 39.5 1.0 OD2 B:ASP641 4.5 59.9 1.0 CD1 B:ILE545 4.5 36.2 1.0 CG B:ASP641 4.7 54.2 1.0 C4 B:YY5801 4.7 36.8 1.0 CA B:ASP641 4.8 43.1 1.0 CG B:LEU630 4.8 42.3 1.0 OD1 B:ASP641 4.9 61.9 1.0 N B:ALA640 4.9 31.5 1.0

Chlorine binding site 4 out of 4 in the FGFR1 Kinase Complex with Inhibitor SN37115


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of FGFR1 Kinase Complex with Inhibitor SN37115 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl801 b:37.5 occ:1.00 CLK B:YY5801 0.0 37.5 1.0 CAB B:YY5801 1.7 42.6 1.0 CAA B:YY5801 2.7 41.9 1.0 CAC B:YY5801 2.7 41.9 1.0 OAG B:YY5801 2.8 38.9 1.0 NAM B:YY5801 3.1 39.4 1.0 CAN B:YY5801 3.4 37.1 1.0 CAR B:YY5801 3.5 38.5 1.0 OAW B:YY5801 3.6 36.4 1.0 CB B:LYS514 3.7 41.3 1.0 CG1 B:VAL492 3.8 41.8 1.0 CG2 B:VAL492 3.8 41.6 1.0 CG2 B:VAL561 3.8 34.2 1.0 CAF B:YY5801 4.0 39.0 1.0 CAD B:YY5801 4.0 43.8 1.0 N B:LYS514 4.2 39.1 1.0 CAJ B:YY5801 4.3 35.8 1.0 CE B:LYS514 4.3 45.6 1.0 CA B:LYS514 4.3 41.0 1.0 NAQ B:YY5801 4.4 39.5 1.0 CB B:ALA512 4.4 36.3 1.0 C5 B:YY5801 4.4 35.8 1.0 C B:VAL513 4.4 39.7 1.0 CB B:VAL492 4.4 42.8 1.0 CAE B:YY5801 4.5 41.9 1.0 CG B:LYS514 4.5 44.2 1.0 O B:VAL513 4.7 40.0 1.0 C B:ALA512 4.8 38.6 1.0 O B:ALA512 4.8 39.1 1.0 CD B:LYS514 4.8 45.0 1.0 C4 B:YY5801 4.8 36.8 1.0 N B:VAL513 4.9 39.1 1.0 CG1 B:VAL561 4.9 33.4 1.0

Y.Yosaatmadja, C.J.Squire, A.V.Patterson, J.B.Smaill. Understanding the Structural Requirements For Covalent Inhibition of FGFR1-3 To Be Published.