Fluorine in PDB 6y82: Fragment KCL_804 in Complex with Map Kinase P38-Alpha

Enzymatic activity of Fragment KCL_804 in Complex with Map Kinase P38-Alpha

All present enzymatic activity of Fragment KCL_804 in Complex with Map Kinase P38-Alpha:
2.7.11.24;

Protein crystallography data

The structure of Fragment KCL_804 in Complex with Map Kinase P38-Alpha, PDB code: 6y82 was solved by G.F.De Nicola, C.E.Nichols, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.98 / 1.44
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 80.918, 102.289, 102.944, 90.00, 90.00, 90.00
R / Rfree (%) 21.6 / 24.3

Other elements in 6y82:

The structure of Fragment KCL_804 in Complex with Map Kinase P38-Alpha also contains other interesting chemical elements:

Calcium (Ca) 4 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Fragment KCL_804 in Complex with Map Kinase P38-Alpha (pdb code 6y82). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Fragment KCL_804 in Complex with Map Kinase P38-Alpha, PDB code: 6y82:

Fluorine binding site 1 out of 1 in 6y82

Go back to Fluorine Binding Sites List in 6y82
Fluorine binding site 1 out of 1 in the Fragment KCL_804 in Complex with Map Kinase P38-Alpha


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Fragment KCL_804 in Complex with Map Kinase P38-Alpha within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:16.1
occ:1.00
FB7 A:SB4401 0.0 16.1 1.0
CB3 A:SB4401 1.4 14.0 1.0
CB2 A:SB4401 2.3 13.7 1.0
CB4 A:SB4401 2.4 14.3 1.0
CB A:LEU104 3.2 12.5 1.0
C A:LEU104 3.2 11.3 1.0
N A:VAL105 3.3 10.7 1.0
O A:LEU104 3.4 13.1 1.0
C A:VAL105 3.5 12.0 1.0
CB1 A:SB4401 3.6 11.9 1.0
CB5 A:SB4401 3.6 14.7 1.0
CD2 A:LEU86 3.6 15.6 1.0
N A:THR106 3.7 10.0 1.0
CB A:THR106 3.8 12.9 1.0
CA A:VAL105 3.8 11.0 1.0
O A:VAL105 3.8 12.8 1.0
CA A:LEU104 3.8 11.6 1.0
CG2 A:THR106 4.0 16.4 1.0
CB6 A:SB4401 4.1 13.2 1.0
CA A:THR106 4.3 11.9 1.0
CG A:LEU104 4.5 13.8 1.0
O A:ALA51 4.5 10.9 1.0
CD1 A:LEU75 4.6 24.3 1.0
CD1 A:LEU104 4.6 21.4 1.0
CB A:LYS53 4.7 10.7 1.0
O A:GLY85 4.8 19.4 1.0
OG1 A:THR106 4.9 12.1 1.0
N A:LEU104 5.0 10.9 1.0
CG2 A:ILE84 5.0 21.3 1.0
N A:LYS53 5.0 11.3 1.0

Reference:

G.F.De Nicola, C.E.Nichols. Fragment KCL_804 in Complex with Map Kinase P38-Alpha To Be Published.
Page generated: Sun Dec 13 13:41:02 2020

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