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Chlorine in PDB 4r6v: Crystal Structure of Fgf Receptor (Fgfr) 4 Kinase Harboring the V550L Gate-Keeper Mutation in Complex with Fiin-3, An Irreversible Tyrosine Kinase Inhibitor Capable of Overcoming Fgfr Kinase Gate-Keeper Mutations

Enzymatic activity of Crystal Structure of Fgf Receptor (Fgfr) 4 Kinase Harboring the V550L Gate-Keeper Mutation in Complex with Fiin-3, An Irreversible Tyrosine Kinase Inhibitor Capable of Overcoming Fgfr Kinase Gate-Keeper Mutations

All present enzymatic activity of Crystal Structure of Fgf Receptor (Fgfr) 4 Kinase Harboring the V550L Gate-Keeper Mutation in Complex with Fiin-3, An Irreversible Tyrosine Kinase Inhibitor Capable of Overcoming Fgfr Kinase Gate-Keeper Mutations:
2.7.10.1;

Protein crystallography data

The structure of Crystal Structure of Fgf Receptor (Fgfr) 4 Kinase Harboring the V550L Gate-Keeper Mutation in Complex with Fiin-3, An Irreversible Tyrosine Kinase Inhibitor Capable of Overcoming Fgfr Kinase Gate-Keeper Mutations, PDB code: 4r6v was solved by Z.Huang, M.Mohammadi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.54 / 2.35
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 139.381, 139.381, 50.090, 90.00, 90.00, 120.00
R / Rfree (%) 17.4 / 22.7

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Fgf Receptor (Fgfr) 4 Kinase Harboring the V550L Gate-Keeper Mutation in Complex with Fiin-3, An Irreversible Tyrosine Kinase Inhibitor Capable of Overcoming Fgfr Kinase Gate-Keeper Mutations (pdb code 4r6v). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Fgf Receptor (Fgfr) 4 Kinase Harboring the V550L Gate-Keeper Mutation in Complex with Fiin-3, An Irreversible Tyrosine Kinase Inhibitor Capable of Overcoming Fgfr Kinase Gate-Keeper Mutations, PDB code: 4r6v:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 4r6v

Go back to Chlorine Binding Sites List in 4r6v
Chlorine binding site 1 out of 2 in the Crystal Structure of Fgf Receptor (Fgfr) 4 Kinase Harboring the V550L Gate-Keeper Mutation in Complex with Fiin-3, An Irreversible Tyrosine Kinase Inhibitor Capable of Overcoming Fgfr Kinase Gate-Keeper Mutations


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 Fgf Receptor (Fgfr) 4 Kinase Harboring the V550L Gate-Keeper Mutation in Complex with Fiin-3, An Irreversible Tyrosine Kinase Inhibitor Capable of Overcoming Fgfr Kinase Gate-Keeper Mutations within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl801

b:33.3
occ:1.00
 CLI A:FI3801 0.0 33.3 1.0
CBU A:FI3801 1.7 36.2 1.0
CBW A:FI3801 2.6 38.1 1.0
CBX A:FI3801 2.7 35.3 1.0
OBJ A:FI3801 2.8 39.5 1.0
OAG A:FI3801 3.1 35.8 1.0
NBG A:FI3801 3.2 34.4 1.0
CBM A:FI3801 3.3 35.6 1.0
CD2 A:LEU550 3.4 28.6 1.0
CD A:LYS503 3.5 24.9 1.0
O A:HOH914 3.6 35.7 1.0
CB A:LYS503 3.8 19.9 1.0
CG2 A:VAL481 3.9 26.1 1.0
CAU A:FI3801 3.9 37.5 1.0
CBT A:FI3801 4.0 36.2 1.0
CD1 A:LEU550 4.0 28.5 1.0
CG1 A:VAL481 4.1 27.8 1.0
CAB A:FI3801 4.2 39.6 1.0
CG A:LYS503 4.2 22.2 1.0
CG A:LEU550 4.2 27.8 1.0
NCB A:FI3801 4.4 37.2 1.0
CBV A:FI3801 4.5 37.5 1.0
CB A:VAL481 4.7 28.3 1.0
CE A:LYS503 4.8 27.0 1.0
NZ A:LYS503 4.8 27.9 1.0
CA A:LYS503 4.9 18.3 1.0
N A:LYS503 5.0 17.2 1.0

Chlorine binding site 2 out of 2 in 4r6v

Go back to Chlorine Binding Sites List in 4r6v
Chlorine binding site 2 out of 2 in the Crystal Structure of Fgf Receptor (Fgfr) 4 Kinase Harboring the V550L Gate-Keeper Mutation in Complex with Fiin-3, An Irreversible Tyrosine Kinase Inhibitor Capable of Overcoming Fgfr Kinase Gate-Keeper Mutations


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 Fgf Receptor (Fgfr) 4 Kinase Harboring the V550L Gate-Keeper Mutation in Complex with Fiin-3, An Irreversible Tyrosine Kinase Inhibitor Capable of Overcoming Fgfr Kinase Gate-Keeper Mutations within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl801

b:36.9
occ:1.00
 CLH A:FI3801 0.0 36.9 1.0
CBT A:FI3801 1.7 36.2 1.0
CBX A:FI3801 2.5 35.3 1.0
NBG A:FI3801 2.7 34.4 1.0
CBV A:FI3801 2.7 37.5 1.0
OBI A:FI3801 3.0 38.6 1.0
CB A:ALA629 3.3 18.1 1.0
CG1 A:ILE534 3.6 18.7 1.0
CBM A:FI3801 3.7 35.6 1.0
CA A:ALA629 3.8 21.1 1.0
CD1 A:LEU619 3.8 15.2 1.0
CBU A:FI3801 3.9 36.2 1.0
CG2 A:ILE534 3.9 17.9 1.0
CB A:ILE534 3.9 19.1 1.0
CAU A:FI3801 4.0 37.5 1.0
CE1 A:PHE631 4.0 46.4 1.0
N3 A:FI3801 4.1 32.0 1.0
N A:ASP630 4.2 28.0 1.0
CZ A:PHE631 4.3 46.4 1.0
CAA A:FI3801 4.3 38.3 1.0
OAG A:FI3801 4.3 35.8 1.0
CBW A:FI3801 4.4 38.1 1.0
CD1 A:ILE534 4.4 20.1 1.0
C A:ALA629 4.5 25.3 1.0
NCB A:FI3801 4.5 37.2 1.0
C4 A:FI3801 4.6 34.3 1.0
CD1 A:LEU550 4.7 28.5 1.0
CD1 A:PHE631 4.8 45.6 1.0
C2 A:FI3801 4.8 32.1 1.0
CG A:LEU619 4.9 15.6 1.0
N A:ALA629 5.0 19.4 1.0

Reference:

Z.Huang, L.Tan, H.Wang, Y.Liu, S.Blais, J.Deng, T.A.Neubert, N.S.Gray, X.Li, M.Mohammadi. Development of Covalent Inhibitors That Can Overcome Resistance to First Generation Fgfr Kinase Inhibitors Proc.Natl.Acad.Sci.Usa 2014.
ISSN: ESSN 1091-6490
Page generated: Fri Jul 26 01:09:26 2024

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