Chlorine in PDB 6c1o: FGFR1 Kinase Domain Complexed with Fiin-1

All present enzymatic activity of FGFR1 Kinase Domain Complexed with Fiin-1:
2.7.10.1;

The structure of FGFR1 Kinase Domain Complexed with Fiin-1, PDB code: 6c1o was solved by M.Kalyukina, 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)	101.30 / 2.29
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	211.030, 50.384, 65.513, 90.00, 106.24, 90.00
R / Rfree (%)	23.7 / 27.6

The binding sites of Chlorine atom in the FGFR1 Kinase Domain Complexed with Fiin-1 (pdb code 6c1o). 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 Domain Complexed with Fiin-1, PDB code: 6c1o:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the FGFR1 Kinase Domain Complexed with Fiin-1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of FGFR1 Kinase Domain Complexed with Fiin-1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl801 b:56.9 occ:1.00 CLR A:MK9801 0.0 56.9 1.0 CAQ A:MK9801 1.7 55.5 1.0 CAP A:MK9801 2.7 55.5 1.0 CAL A:MK9801 2.7 54.6 1.0 OAS A:MK9801 2.9 54.0 1.0 NAI A:MK9801 3.1 51.5 1.0 CAH A:MK9801 3.3 51.9 1.0 CAJ A:MK9801 3.3 50.2 1.0 CG1 A:VAL492 3.4 63.5 1.0 CG2 A:VAL492 3.5 64.1 1.0 OAK A:MK9801 3.6 51.8 1.0 CG2 A:VAL561 3.6 43.9 1.0 CB A:LYS514 3.7 57.6 1.0 CAO A:MK9801 4.0 56.1 1.0 CAM A:MK9801 4.0 56.6 1.0 CB A:VAL492 4.1 64.9 1.0 NAG A:MK9801 4.1 53.1 1.0 N A:LYS514 4.1 57.2 1.0 CBR A:MK9801 4.3 53.3 1.0 CD A:LYS514 4.3 57.4 1.0 CA A:LYS514 4.3 58.8 1.0 CB A:ALA512 4.4 48.2 1.0 CG A:LYS514 4.4 58.8 1.0 C A:VAL513 4.4 56.4 1.0 C5 A:MK9801 4.5 49.2 1.0 CAN A:MK9801 4.5 56.6 1.0 N A:VAL513 4.7 52.6 1.0 C A:ALA512 4.7 50.4 1.0 C4 A:MK9801 4.8 50.0 1.0 O A:VAL513 4.8 57.7 1.0 O A:ALA512 4.8 49.9 1.0 CB A:VAL561 4.9 44.0 1.0 CA A:VAL513 5.0 54.9 1.0 CG1 A:VAL561 5.0 44.5 1.0

Chlorine binding site 2 out of 4 in the FGFR1 Kinase Domain Complexed with Fiin-1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of FGFR1 Kinase Domain Complexed with Fiin-1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl801 b:62.0 occ:1.00 CLU A:MK9801 0.0 62.0 1.0 CAM A:MK9801 1.7 56.6 1.0 CAL A:MK9801 2.7 54.6 1.0 CAN A:MK9801 2.7 56.6 1.0 OAT A:MK9801 2.9 57.2 1.0 NAI A:MK9801 2.9 51.5 1.0 CB A:ALA640 3.1 48.2 1.0 CA A:ALA640 3.6 48.1 1.0 OD1 A:ASP641 3.6 60.4 1.0 N A:ASP641 3.7 52.6 1.0 CAJ A:MK9801 3.7 50.2 1.0 CG1 A:ILE545 3.8 46.0 1.0 CD1 A:LEU630 3.8 47.2 1.0 CAH A:MK9801 3.8 51.9 1.0 CBS A:MK9801 3.9 57.7 1.0 CAO A:MK9801 4.0 56.1 1.0 CAQ A:MK9801 4.0 55.5 1.0 CG2 A:ILE545 4.1 46.9 1.0 OAK A:MK9801 4.1 51.8 1.0 CB A:ILE545 4.1 46.1 1.0 C A:ALA640 4.2 50.0 1.0 CG A:ASP641 4.3 60.0 1.0 CAP A:MK9801 4.5 55.5 1.0 C5 A:MK9801 4.5 49.2 1.0 CD1 A:ILE545 4.6 46.7 1.0 CA A:ASP641 4.7 56.0 1.0 CG A:LEU630 4.8 46.6 1.0 NAG A:MK9801 4.9 53.1 1.0 N A:ALA640 4.9 46.3 1.0 OD2 A:ASP641 4.9 62.4 1.0

Chlorine binding site 3 out of 4 in the FGFR1 Kinase Domain Complexed with Fiin-1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of FGFR1 Kinase Domain Complexed with Fiin-1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl801 b:57.7 occ:1.00 CLR B:MK9801 0.0 57.7 1.0 CAQ B:MK9801 1.7 58.1 1.0 CAP B:MK9801 2.7 59.0 1.0 CAL B:MK9801 2.7 57.3 1.0 OAS B:MK9801 2.9 58.0 1.0 NAI B:MK9801 3.1 54.5 1.0 CAH B:MK9801 3.3 54.5 1.0 CAJ B:MK9801 3.4 53.9 1.0 OAK B:MK9801 3.4 55.9 1.0 CG1 B:VAL492 3.5 62.4 1.0 CG2 B:VAL561 3.7 48.1 1.0 CB B:LYS514 3.8 51.5 1.0 CG2 B:VAL492 4.0 63.0 1.0 CAO B:MK9801 4.0 59.0 1.0 CAM B:MK9801 4.0 59.3 1.0 NAG B:MK9801 4.0 56.4 1.0 N B:LYS514 4.2 51.9 1.0 CBR B:MK9801 4.3 58.2 1.0 CB B:ALA512 4.3 52.3 1.0 CA B:LYS514 4.4 52.6 1.0 C B:VAL513 4.4 52.5 1.0 CB B:VAL492 4.4 63.9 1.0 CD B:LYS514 4.4 52.5 1.0 C5 B:MK9801 4.5 53.0 1.0 CAN B:MK9801 4.5 59.3 1.0 CG B:LYS514 4.6 53.0 1.0 O B:VAL513 4.7 54.0 1.0 C4 B:MK9801 4.7 54.0 1.0 N B:VAL513 4.7 52.8 1.0 C B:ALA512 4.7 52.3 1.0 O B:ALA512 4.9 51.0 1.0 CG1 B:VAL561 5.0 47.0 1.0 CA B:VAL513 5.0 52.7 1.0 CB B:VAL561 5.0 47.2 1.0

Chlorine binding site 4 out of 4 in the FGFR1 Kinase Domain Complexed with Fiin-1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of FGFR1 Kinase Domain Complexed with Fiin-1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl801 b:63.2 occ:1.00 CLU B:MK9801 0.0 63.2 1.0 CAM B:MK9801 1.7 59.3 1.0 CAL B:MK9801 2.7 57.3 1.0 CAN B:MK9801 2.7 59.3 1.0 OAT B:MK9801 2.9 58.9 1.0 NAI B:MK9801 2.9 54.5 1.0 CB B:ALA640 3.2 49.4 1.0 OD1 B:ASP641 3.4 61.9 1.0 N B:ASP641 3.4 53.2 1.0 CA B:ALA640 3.5 48.9 1.0 CAJ B:MK9801 3.7 53.9 1.0 CAH B:MK9801 3.9 54.5 1.0 CG1 B:ILE545 3.9 47.4 1.0 CBS B:MK9801 4.0 58.1 1.0 C B:ALA640 4.0 50.5 1.0 CAO B:MK9801 4.0 59.0 1.0 CAQ B:MK9801 4.0 58.1 1.0 CG B:ASP641 4.1 60.6 1.0 CB B:ILE545 4.1 47.0 1.0 CG2 B:ILE545 4.1 48.0 1.0 OAK B:MK9801 4.2 55.9 1.0 CD1 B:LEU630 4.2 51.5 1.0 CA B:ASP641 4.4 56.1 1.0 CAP B:MK9801 4.5 59.0 1.0 C5 B:MK9801 4.6 53.0 1.0 OD2 B:ASP641 4.6 63.1 1.0 CD1 B:ILE545 4.8 48.7 1.0 CB B:ASP641 4.9 58.8 1.0 N B:ALA640 4.9 47.1 1.0 NAG B:MK9801 4.9 56.4 1.0

M.Kalyukina, Y.Yosaatmadja, A.V.Patterson, J.B.Smaill, C.J.Squire. A New Class of FGFR1 Inhibitors To Be Published.