Atomistry » Fluorine » PDB 4whr-4x7i » 4wo5
Atomistry »
  Fluorine »
    PDB 4whr-4x7i »
      4wo5 »

Fluorine in PDB 4wo5: Crystal Structure of A Braf Kinase Domain Monomer

Enzymatic activity of Crystal Structure of A Braf Kinase Domain Monomer

All present enzymatic activity of Crystal Structure of A Braf Kinase Domain Monomer:
2.7.11.1;

Protein crystallography data

The structure of Crystal Structure of A Braf Kinase Domain Monomer, PDB code: 4wo5 was solved by D.A.Critton, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.03 / 2.83
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 65.610, 72.748, 243.338, 90.00, 90.00, 90.00
R / Rfree (%) 19.3 / 26

Other elements in 4wo5:

The structure of Crystal Structure of A Braf Kinase Domain Monomer also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of A Braf Kinase Domain Monomer (pdb code 4wo5). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Crystal Structure of A Braf Kinase Domain Monomer, PDB code: 4wo5:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 4wo5

Go back to Fluorine Binding Sites List in 4wo5
Fluorine binding site 1 out of 4 in the Crystal Structure of A Braf Kinase Domain Monomer


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of A Braf Kinase Domain Monomer within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F801

b:45.9
occ:1.00
F20 A:324801 0.0 45.9 1.0
C18 A:324801 1.3 44.8 1.0
C13 A:324801 2.4 42.3 1.0
C17 A:324801 2.4 44.3 1.0
N21 A:324801 2.8 41.0 1.0
C11 A:324801 2.8 41.6 1.0
O12 A:324801 3.0 44.4 1.0
CD2 A:LEU514 3.1 39.1 1.0
CA A:GLY593 3.4 32.6 1.0
N A:ASP594 3.5 37.4 1.0
CE1 A:PHE583 3.5 37.3 1.0
OD2 A:ASP594 3.6 63.7 1.0
C14 A:324801 3.6 40.5 1.0
C16 A:324801 3.6 44.0 1.0
CZ A:PHE583 3.8 36.5 1.0
C A:GLY593 3.8 39.7 1.0
C9 A:324801 3.9 39.6 1.0
C15 A:324801 4.1 41.2 1.0
S22 A:324801 4.3 38.9 1.0
C8 A:324801 4.4 38.9 1.0
CA A:ASP594 4.5 38.0 1.0
CG A:LEU514 4.6 39.1 1.0
CG A:ASP594 4.6 56.1 1.0
CD1 A:PHE583 4.6 37.2 1.0
N A:GLY593 4.7 32.3 1.0
OD1 A:ASN581 4.7 80.7 1.0
NZ A:LYS483 4.7 60.0 1.0
F19 A:324801 4.7 41.5 1.0
C25 A:324801 4.7 38.4 1.0
CB A:ASP594 4.9 40.8 1.0
O24 A:324801 4.9 40.9 1.0
O A:GLY593 5.0 40.9 1.0
C2 A:324801 5.0 39.4 1.0

Fluorine binding site 2 out of 4 in 4wo5

Go back to Fluorine Binding Sites List in 4wo5
Fluorine binding site 2 out of 4 in the Crystal Structure of A Braf Kinase Domain Monomer


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of A Braf Kinase Domain Monomer within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F801

b:41.5
occ:1.00
F19 A:324801 0.0 41.5 1.0
C14 A:324801 1.3 40.5 1.0
C13 A:324801 2.3 42.3 1.0
C15 A:324801 2.3 41.2 1.0
C11 A:324801 2.8 41.6 1.0
C9 A:324801 3.2 39.6 1.0
CB A:ALA481 3.2 51.1 1.0
CG1 A:VAL471 3.3 42.7 1.0
C8 A:324801 3.4 38.9 1.0
C A:ALA481 3.6 51.0 1.0
C16 A:324801 3.6 44.0 1.0
C18 A:324801 3.6 44.8 1.0
OG1 A:THR529 3.6 43.8 1.0
O12 A:324801 3.6 44.4 1.0
N A:VAL482 3.7 45.9 1.0
O A:ALA481 3.9 50.2 1.0
C A:VAL482 3.9 48.8 1.0
N A:LYS483 3.9 43.8 1.0
CA A:ALA481 4.0 50.5 1.0
C17 A:324801 4.1 44.3 1.0
CA A:VAL482 4.2 45.1 1.0
C2 A:324801 4.3 39.4 1.0
O A:VAL482 4.3 49.3 1.0
CG2 A:VAL471 4.3 42.7 1.0
CB A:LYS483 4.4 44.4 1.0
CB A:VAL471 4.4 43.4 1.0
N7 A:324801 4.4 39.0 1.0
CA A:LYS483 4.5 43.2 1.0
O A:ILE527 4.7 44.8 1.0
F20 A:324801 4.7 45.9 1.0
CG2 A:THR529 4.7 41.3 1.0
CB A:THR529 4.7 43.4 1.0
C3 A:324801 4.9 39.9 1.0
CA A:VAL471 4.9 41.0 1.0

Fluorine binding site 3 out of 4 in 4wo5

Go back to Fluorine Binding Sites List in 4wo5
Fluorine binding site 3 out of 4 in the Crystal Structure of A Braf Kinase Domain Monomer


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of A Braf Kinase Domain Monomer within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F801

b:46.1
occ:1.00
F20 B:324801 0.0 46.1 1.0
C18 B:324801 1.3 44.5 1.0
C17 B:324801 2.4 44.7 1.0
C13 B:324801 2.4 44.0 1.0
N21 B:324801 2.7 46.1 1.0
C11 B:324801 2.8 40.8 1.0
O12 B:324801 3.0 41.8 1.0
O B:HOH911 3.1 34.1 1.0
CD2 B:LEU514 3.5 42.8 1.0
O B:HOH941 3.5 35.5 1.0
N B:ASP594 3.6 48.8 1.0
C16 B:324801 3.6 44.0 1.0
C14 B:324801 3.6 45.4 1.0
CA B:GLY593 3.8 46.8 1.0
CE1 B:PHE583 3.8 39.5 1.0
C9 B:324801 3.9 36.6 1.0
C B:GLY593 3.9 52.5 1.0
C15 B:324801 4.1 44.3 1.0
S22 B:324801 4.2 47.0 1.0
CZ B:PHE583 4.3 38.3 1.0
CA B:ASP594 4.4 48.1 1.0
C8 B:324801 4.5 36.1 1.0
C25 B:324801 4.6 44.3 1.0
CB B:ASP594 4.7 50.2 1.0
F19 B:324801 4.8 46.2 1.0
O B:GLY593 4.8 53.3 1.0
OD1 B:ASN581 4.8 74.5 1.0
CD1 B:PHE583 4.8 38.8 1.0
N B:GLY593 4.9 46.5 1.0
CG B:LEU514 4.9 41.3 1.0
O24 B:324801 4.9 48.5 1.0

Fluorine binding site 4 out of 4 in 4wo5

Go back to Fluorine Binding Sites List in 4wo5
Fluorine binding site 4 out of 4 in the Crystal Structure of A Braf Kinase Domain Monomer


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of A Braf Kinase Domain Monomer within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F801

b:46.2
occ:1.00
F19 B:324801 0.0 46.2 1.0
C14 B:324801 1.3 45.4 1.0
C15 B:324801 2.3 44.3 1.0
C13 B:324801 2.4 44.0 1.0
C11 B:324801 2.9 40.8 1.0
CB B:ALA481 3.1 43.7 1.0
C9 B:324801 3.2 36.6 1.0
C8 B:324801 3.4 36.1 1.0
C B:ALA481 3.4 46.3 1.0
C16 B:324801 3.6 44.0 1.0
OG1 B:THR529 3.6 45.0 1.0
N B:VAL482 3.6 42.8 1.0
C18 B:324801 3.6 44.5 1.0
O B:ALA481 3.7 45.0 1.0
O12 B:324801 3.8 41.8 1.0
C B:VAL482 3.8 48.9 1.0
CG1 B:VAL471 3.8 52.2 1.0
CA B:ALA481 3.9 43.0 1.0
N B:LYS483 4.0 47.4 1.0
CA B:VAL482 4.1 43.2 1.0
C17 B:324801 4.1 44.7 1.0
O B:VAL482 4.2 48.0 1.0
CG2 B:VAL471 4.3 52.6 1.0
C2 B:324801 4.4 36.9 1.0
CB B:LYS483 4.4 50.1 1.0
N7 B:324801 4.4 35.8 1.0
CA B:LYS483 4.6 47.9 1.0
O B:ILE527 4.6 44.0 1.0
CB B:VAL471 4.7 52.9 1.0
CB B:THR529 4.7 43.6 1.0
F20 B:324801 4.8 46.1 1.0
CG2 B:THR529 4.8 40.6 1.0
C3 B:324801 4.9 37.4 1.0
N B:ALA481 5.0 43.0 1.0

Reference:

N.Thevakumaran, H.Lavoie, D.A.Critton, A.Tebben, M.A.Poupart, A.Marinier, F.Sicheri, M.Therrien. Crystal Structure of A Braf Kinase Domain Monomer Explains Basis For Allosteric Regulation Nat.Struct.Mol.Biol. 2014.
ISSN: ESSN 1545-9985
DOI: 10.1038/NSMB.2924
Page generated: Thu Aug 1 06:28:06 2024

Last articles

Ca in 5VLK
Ca in 5VLH
Ca in 5VLA
Ca in 5VKW
Ca in 5VF4
Ca in 5VJF
Ca in 5VGC
Ca in 5VGT
Ca in 5VER
Ca in 5VEQ
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy