Atomistry » Fluorine » PDB 5nk2-5o6h » 5nud
Atomistry »
  Fluorine »
    PDB 5nk2-5o6h »
      5nud »

Fluorine in PDB 5nud: Fibroblast Growth Factor Receptor 4 Kinase Domain (449-753) in Complex with Irreversible Ligand CGA159527

Enzymatic activity of Fibroblast Growth Factor Receptor 4 Kinase Domain (449-753) in Complex with Irreversible Ligand CGA159527

All present enzymatic activity of Fibroblast Growth Factor Receptor 4 Kinase Domain (449-753) in Complex with Irreversible Ligand CGA159527:
2.7.10.1;

Protein crystallography data

The structure of Fibroblast Growth Factor Receptor 4 Kinase Domain (449-753) in Complex with Irreversible Ligand CGA159527, PDB code: 5nud was solved by C.Zou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 60.03 / 2.50
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 82.899, 87.054, 182.052, 90.00, 90.00, 90.00
R / Rfree (%) n/a / n/a

Other elements in 5nud:

The structure of Fibroblast Growth Factor Receptor 4 Kinase Domain (449-753) in Complex with Irreversible Ligand CGA159527 also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Fibroblast Growth Factor Receptor 4 Kinase Domain (449-753) in Complex with Irreversible Ligand CGA159527 (pdb code 5nud). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Fibroblast Growth Factor Receptor 4 Kinase Domain (449-753) in Complex with Irreversible Ligand CGA159527, PDB code: 5nud:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 5nud

Go back to Fluorine Binding Sites List in 5nud
Fluorine binding site 1 out of 6 in the Fibroblast Growth Factor Receptor 4 Kinase Domain (449-753) in Complex with Irreversible Ligand CGA159527


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Fibroblast Growth Factor Receptor 4 Kinase Domain (449-753) in Complex with Irreversible Ligand CGA159527 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F801

b:51.7
occ:1.00
 F19 A:99K801 0.0 51.7 1.0
C18 A:99K801 1.4 51.1 1.0
F20 A:99K801 2.2 47.7 1.0
F21 A:99K801 2.2 52.4 1.0
C14 A:99K801 2.4 54.9 1.0
C13 A:99K801 2.8 54.8 1.0
CG2 A:ILE534 3.2 31.5 1.0
O A:GLU551 3.3 39.9 1.0
CG2 A:VAL550 3.4 35.5 1.0
C15 A:99K801 3.7 58.9 1.0
CD1 A:ILE534 3.7 28.3 1.0
CG1 A:ILE534 3.8 32.2 1.0
CD2 A:LEU619 4.0 48.2 1.0
CB A:ILE534 4.0 32.4 1.0
N12 A:99K801 4.2 54.8 1.0
CB A:ALA501 4.3 36.9 1.0
CB A:VAL550 4.5 35.7 1.0
C A:GLU551 4.6 41.9 1.0
C16 A:99K801 4.8 61.6 1.0

Fluorine binding site 2 out of 6 in 5nud

Go back to Fluorine Binding Sites List in 5nud
Fluorine binding site 2 out of 6 in the Fibroblast Growth Factor Receptor 4 Kinase Domain (449-753) in Complex with Irreversible Ligand CGA159527


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Fibroblast Growth Factor Receptor 4 Kinase Domain (449-753) in Complex with Irreversible Ligand CGA159527 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F801

b:47.7
occ:1.00
 F20 A:99K801 0.0 47.7 1.0
C18 A:99K801 1.3 51.1 1.0
F19 A:99K801 2.2 51.7 1.0
F21 A:99K801 2.2 52.4 1.0
C14 A:99K801 2.3 54.9 1.0
C15 A:99K801 3.1 58.9 1.0
C13 A:99K801 3.3 54.8 1.0
CG1 A:VAL481 3.5 55.1 1.0
CG2 A:VAL550 3.7 35.5 1.0
CB A:ALA501 3.8 36.9 1.0
CG2 A:VAL481 4.3 54.8 1.0
C16 A:99K801 4.3 61.6 1.0
N12 A:99K801 4.5 54.8 1.0
CB A:VAL481 4.5 55.5 1.0
O A:GLU551 4.8 39.9 1.0
C11 A:99K801 4.9 56.0 1.0

Fluorine binding site 3 out of 6 in 5nud

Go back to Fluorine Binding Sites List in 5nud
Fluorine binding site 3 out of 6 in the Fibroblast Growth Factor Receptor 4 Kinase Domain (449-753) in Complex with Irreversible Ligand CGA159527


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Fibroblast Growth Factor Receptor 4 Kinase Domain (449-753) in Complex with Irreversible Ligand CGA159527 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F801

b:52.4
occ:1.00
 F21 A:99K801 0.0 52.4 1.0
C18 A:99K801 1.4 51.1 1.0
F20 A:99K801 2.2 47.7 1.0
F19 A:99K801 2.2 51.7 1.0
C14 A:99K801 2.4 54.9 1.0
C15 A:99K801 2.9 58.9 1.0
CD2 A:LEU619 3.3 48.2 1.0
C13 A:99K801 3.6 54.8 1.0
CB A:ALA629 4.2 37.6 1.0
C16 A:99K801 4.3 61.6 1.0
O A:HOH971 4.5 70.3 1.0
CG A:LEU619 4.7 43.1 1.0
N12 A:99K801 4.7 54.8 1.0
CG1 A:ILE534 4.8 32.2 1.0
CG2 A:ILE534 4.8 31.5 1.0
CD1 A:ILE534 5.0 28.3 1.0

Fluorine binding site 4 out of 6 in 5nud

Go back to Fluorine Binding Sites List in 5nud
Fluorine binding site 4 out of 6 in the Fibroblast Growth Factor Receptor 4 Kinase Domain (449-753) in Complex with Irreversible Ligand CGA159527


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Fibroblast Growth Factor Receptor 4 Kinase Domain (449-753) in Complex with Irreversible Ligand CGA159527 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F801

b:55.3
occ:1.00
 F19 B:99K801 0.0 55.3 1.0
C18 B:99K801 1.4 54.7 1.0
F21 B:99K801 2.2 57.4 1.0
F20 B:99K801 2.2 54.2 1.0
C14 B:99K801 2.4 53.4 1.0
C13 B:99K801 2.8 52.5 1.0
CG2 B:ILE534 3.2 33.7 1.0
O B:GLU551 3.4 40.4 1.0
CD1 B:ILE534 3.5 31.2 1.0
CG2 B:VAL550 3.6 35.2 1.0
CG1 B:ILE534 3.6 35.2 1.0
C15 B:99K801 3.6 54.3 1.0
CD2 B:LEU619 3.8 42.9 1.0
CB B:ILE534 3.9 35.4 1.0
O B:HOH971 4.0 49.6 1.0
N12 B:99K801 4.2 53.3 1.0
CB B:VAL550 4.5 35.5 1.0
C B:GLU551 4.7 39.3 1.0
C16 B:99K801 4.8 56.5 1.0
CB B:ALA501 4.8 33.1 1.0

Fluorine binding site 5 out of 6 in 5nud

Go back to Fluorine Binding Sites List in 5nud
Fluorine binding site 5 out of 6 in the Fibroblast Growth Factor Receptor 4 Kinase Domain (449-753) in Complex with Irreversible Ligand CGA159527


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Fibroblast Growth Factor Receptor 4 Kinase Domain (449-753) in Complex with Irreversible Ligand CGA159527 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F801

b:54.2
occ:1.00
 F20 B:99K801 0.0 54.2 1.0
C18 B:99K801 1.4 54.7 1.0
F21 B:99K801 2.2 57.4 1.0
F19 B:99K801 2.2 55.3 1.0
C14 B:99K801 2.4 53.4 1.0
C15 B:99K801 3.0 54.3 1.0
CG2 B:VAL550 3.4 35.2 1.0
C13 B:99K801 3.4 52.5 1.0
CG1 B:VAL481 3.7 47.1 1.0
CE B:LYS503 3.8 73.5 1.0
CB B:ALA501 4.1 33.1 1.0
O B:HOH971 4.1 49.6 1.0
CG2 B:VAL481 4.3 47.4 1.0
C16 B:99K801 4.3 56.5 1.0
CG B:LYS503 4.4 48.6 1.0
N12 B:99K801 4.5 53.3 1.0
CB B:VAL481 4.6 47.6 1.0
CD B:LYS503 4.7 57.0 1.0
CB B:VAL550 4.7 35.5 1.0
O B:GLU551 4.8 40.4 1.0
NZ B:LYS503 4.9 81.7 1.0
C11 B:99K801 4.9 53.7 1.0

Fluorine binding site 6 out of 6 in 5nud

Go back to Fluorine Binding Sites List in 5nud
Fluorine binding site 6 out of 6 in the Fibroblast Growth Factor Receptor 4 Kinase Domain (449-753) in Complex with Irreversible Ligand CGA159527


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Fibroblast Growth Factor Receptor 4 Kinase Domain (449-753) in Complex with Irreversible Ligand CGA159527 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F801

b:57.4
occ:1.00
 F21 B:99K801 0.0 57.4 1.0
C18 B:99K801 1.4 54.7 1.0
F19 B:99K801 2.2 55.3 1.0
F20 B:99K801 2.2 54.2 1.0
C14 B:99K801 2.4 53.4 1.0
C15 B:99K801 2.9 54.3 1.0
CD2 B:LEU619 3.2 42.9 1.0
C13 B:99K801 3.6 52.5 1.0
O B:HOH971 3.7 49.6 1.0
O B:HOH982 3.8 64.4 1.0
C16 B:99K801 4.2 56.5 1.0
CB B:ALA629 4.6 42.8 1.0
N12 B:99K801 4.7 53.3 1.0
CG B:LEU619 4.7 41.5 1.0
CE B:LYS503 4.7 73.5 1.0
CG1 B:ILE534 4.8 35.2 1.0
O B:HOH978 4.9 56.7 1.0
CD1 B:ILE534 5.0 31.2 1.0
C11 B:99K801 5.0 53.7 1.0

Reference:

R.A.Fairhurst, T.Knoepfel, C.Leblanc, N.Buschmann, C.Gaul, J.Blank, I.Galuba, J.Trappe, C.Zou, J.Voshol, C.Genick, P.Brunet-Lefeuvre, F.Bitsch, D.Graus-Porta, P.Furet. Approaches to Selective Fibroblast Growth Factor Receptor 4 Inhibition Through Targeting the Atp-Pocket Middle-Hinge Region. Medchemcomm V. 8 1604 2017.
ISSN: ISSN 2040-2503
PubMed: 30108871
DOI: 10.1039/C7MD00213K
Page generated: Thu Aug 1 12:05:44 2024

Last articles

Zn in 9J0N
Zn in 9J0O
Zn in 9J0P
Zn in 9FJX
Zn in 9EKB
Zn in 9C0F
Zn in 9CAH
Zn in 9CH0
Zn in 9CH3
Zn in 9CH1
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy