Chlorine in PDB 5flf: Disease Linked Mutation in Fgfr

All present enzymatic activity of Disease Linked Mutation in Fgfr:
2.7.10.1;

The structure of Disease Linked Mutation in Fgfr, PDB code: 5flf was solved by N.Thiyagarajan, T.D.Bunney, M.Katan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	71.064 / 2.58
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	76.259, 152.281, 195.887, 90.00, 90.00, 90.00
R / Rfree (%)	19.37 / 25.45

The binding sites of Chlorine atom in the Disease Linked Mutation in Fgfr (pdb code 5flf). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Disease Linked Mutation in Fgfr, PDB code: 5flf:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Disease Linked Mutation in Fgfr


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Disease Linked Mutation in Fgfr within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1766 b:35.9 occ:1.00 O B:HOH2092 3.2 25.7 1.0 O B:HOH2079 3.4 31.4 1.0 N B:PHE747 3.5 23.7 1.0 CB B:HIS679 3.8 19.9 1.0 CD2 B:PHE747 3.8 26.1 1.0 CB B:THR746 3.8 36.2 1.0 CA B:THR746 4.0 30.2 1.0 CB B:ALA615 4.1 25.0 1.0 CB B:PHE747 4.1 17.8 1.0 C B:THR746 4.2 34.6 1.0 CG B:HIS679 4.3 40.6 1.0 CG2 B:THR746 4.3 20.8 1.0 CG B:PHE747 4.4 24.4 1.0 CA B:PHE747 4.4 21.7 1.0 CE2 B:PHE747 4.7 28.1 1.0 CD2 B:HIS679 4.9 31.6 1.0 ND1 B:HIS679 4.9 35.6 1.0 CG2 B:VAL683 4.9 17.4 1.0 O B:HIS679 5.0 37.6 1.0 O B:HOH2082 5.0 45.4 1.0

Chlorine binding site 2 out of 5 in the Disease Linked Mutation in Fgfr


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Disease Linked Mutation in Fgfr within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1766 b:88.3 occ:1.00 NH2 C:ARG627 4.1 44.0 0.6 O C:GLY487 4.2 89.1 1.0 CB C:ALA488 4.3 57.5 1.0 NE C:ARG627 4.3 52.8 0.6 CA C:ALA488 4.5 72.4 1.0 CZ C:ARG627 4.7 49.7 0.6 C C:GLY487 4.8 68.8 1.0 N C:ALA488 5.0 75.7 1.0

Chlorine binding site 3 out of 5 in the Disease Linked Mutation in Fgfr


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Disease Linked Mutation in Fgfr within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl1772 b:43.1 occ:1.00 O D:HOH2066 3.2 38.8 1.0 N D:PHE747 3.3 32.0 1.0 O1 D:PGE1770 3.3 34.3 1.0 C1 D:PGE1770 3.4 73.8 1.0 CD2 D:PHE747 3.5 24.2 1.0 CB D:THR746 3.8 35.9 1.0 CA D:THR746 3.9 34.6 1.0 CB D:HIS679 3.9 25.9 1.0 CB D:ALA615 4.0 30.2 1.0 CB D:PHE747 4.0 38.8 1.0 C D:THR746 4.1 30.7 1.0 CG D:PHE747 4.1 32.7 1.0 CA D:PHE747 4.3 33.4 1.0 CG2 D:THR746 4.4 24.8 1.0 CE2 D:PHE747 4.4 34.7 1.0 CG D:HIS679 4.5 39.9 1.0 CG2 D:VAL683 4.8 17.9 1.0 C2 D:PGE1770 4.9 49.9 1.0 OG1 D:THR746 4.9 43.5 1.0 ND1 D:HIS679 4.9 46.8 1.0

Chlorine binding site 4 out of 5 in the Disease Linked Mutation in Fgfr


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Disease Linked Mutation in Fgfr within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl1773 b:96.2 occ:1.00 O D:HOH2012 3.1 51.8 1.0 CD D:LYS514 3.4 78.0 1.0 CG D:LYS514 3.8 61.4 1.0 OE1 D:GLU531 3.8 52.2 1.0 CB D:LYS514 3.9 29.5 1.0 CE D:LYS514 4.0 0.2 1.0 CG2 D:VAL492 4.3 42.5 1.0 OE2 D:GLU531 4.3 66.3 1.0 NZ D:LYS514 4.4 76.5 1.0 OD1 D:ASP641 4.5 80.5 1.0 CD D:GLU531 4.5 64.6 1.0 CG D:ASP641 4.8 64.2 1.0 OD2 D:ASP641 4.9 66.9 1.0

Chlorine binding site 5 out of 5 in the Disease Linked Mutation in Fgfr


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Disease Linked Mutation in Fgfr within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl1774 b:38.1 occ:1.00 NE2 D:HIS717 3.2 38.2 1.0 CA D:TYR701 3.6 36.7 1.0 CD1 D:TYR701 3.7 27.0 1.0 CG D:MET719 3.8 31.6 1.0 CD D:PRO702 4.0 31.8 1.0 CE1 D:HIS717 4.0 50.4 1.0 CB D:TYR701 4.1 35.1 1.0 CD2 D:HIS717 4.2 34.2 1.0 CA D:MET719 4.2 31.2 1.0 C D:TYR701 4.3 41.2 1.0 CG D:TYR701 4.3 34.2 1.0 N D:PRO702 4.5 40.8 1.0 CG2 D:VAL704 4.5 22.3 1.0 N D:TYR701 4.5 29.6 1.0 CB D:MET719 4.6 21.1 1.0 CE1 D:TYR701 4.6 36.3 1.0 N D:MET719 4.9 40.9 1.0 O D:ARG718 4.9 51.8 1.0 CG D:PRO702 4.9 39.8 1.0

H.Patani, T.D.Bunney, N.Thiyagarajan, R.A.Norman, D.Ogg, J.Breed, P.Ashford, A.Potterton, M.Edwards, S.V.Williams, G.S.Thomson, C.S.Pang, M.A.Knowles, A.L.Breeze, C.Orengo, C.Phillips, M.Katan. Landscape of Activating Cancer Mutations in Fgfr Kinases and Their Differential Responses to Inhibitors in Clinical Use. Oncotarget V. 7 24252 2016.
ISSN: ISSN 1949-2553
PubMed: 26992226
DOI: 10.18632/ONCOTARGET.8132