Fluorine in PDB 8pod: Crystal Structure of the Kinase Domain of ACVR1 (ALK2) in Complex with FKBP12 and MU1700

Enzymatic activity of Crystal Structure of the Kinase Domain of ACVR1 (ALK2) in Complex with FKBP12 and MU1700

All present enzymatic activity of Crystal Structure of the Kinase Domain of ACVR1 (ALK2) in Complex with FKBP12 and MU1700:
2.7.11.30; 5.2.1.8;

Protein crystallography data

The structure of Crystal Structure of the Kinase Domain of ACVR1 (ALK2) in Complex with FKBP12 and MU1700, PDB code: 8pod was solved by J.Cros, J.Baltanas-Copado, S.Knapp, K.Paruch, N.Nemec, A.N.Bullock, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 51.39 / 2.59
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 43.343, 76.622, 138.544, 90, 90, 90
R / Rfree (%) 23.5 / 25.5

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of the Kinase Domain of ACVR1 (ALK2) in Complex with FKBP12 and MU1700 (pdb code 8pod). 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 Crystal Structure of the Kinase Domain of ACVR1 (ALK2) in Complex with FKBP12 and MU1700, PDB code: 8pod:

Fluorine binding site 1 out of 1 in 8pod

Go back to Fluorine Binding Sites List in 8pod
Fluorine binding site 1 out of 1 in the Crystal Structure of the Kinase Domain of ACVR1 (ALK2) in Complex with FKBP12 and MU1700


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 the Kinase Domain of ACVR1 (ALK2) in Complex with FKBP12 and MU1700 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F502

b:19.7
occ:1.00
 O A:HOH644 3.6 29.3 1.0
NZ A:LYS340 3.7 40.8 1.0
CD A:LYS340 3.8 35.8 1.0
CE A:LYS340 4.0 38.9 1.0
CG2 A:THR378 4.1 37.0 1.0
NZ A:LYS338 4.1 29.9 1.0
CD A:LYS338 4.4 29.5 1.0
CE1 A:TYR381 4.5 33.9 1.0
O A:HOH626 4.7 38.1 1.0
CE A:LYS338 4.8 29.8 1.0
CG A:LYS340 4.8 33.0 1.0

Reference:

J.Cros, J.Baltanas-Copado, A.N.Bullock. Crystal Structure of the Kinase Domain of ACVR1 (ALK2) in Complex with FKBP12 and MU1700 To Be Published.
Page generated: Fri Aug 2 22:18:26 2024

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