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Fluorine in PDB 6cnh: Human PRPF4B in Complex with Rebastinib

Enzymatic activity of Human PRPF4B in Complex with Rebastinib

All present enzymatic activity of Human PRPF4B in Complex with Rebastinib:
2.7.11.1;

Protein crystallography data

The structure of Human PRPF4B in Complex with Rebastinib, PDB code: 6cnh was solved by P.H.C.Godoi, A.S.Santiago, P.Z.Ramos, A.M.Fala, A.P.T.Salmazo, R.M.Counago, G.L.Righetto, P.N.B.Silva, O.Gileadi, C.R.W.Guimaraes, K.B.Massirer, P.Arruda, J.M.Elkins, A.M.Edwards, Structural Genomicsconsortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 67.99 / 2.00
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 85.169, 75.661, 68.075, 90.00, 92.82, 90.00
R / Rfree (%) 18.2 / 20.6

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Human PRPF4B in Complex with Rebastinib (pdb code 6cnh). 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 Human PRPF4B in Complex with Rebastinib, PDB code: 6cnh:

Fluorine binding site 1 out of 1 in 6cnh

Go back to Fluorine Binding Sites List in 6cnh
Fluorine binding site 1 out of 1 in the Human PRPF4B in Complex with Rebastinib


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Human PRPF4B in Complex with Rebastinib within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1101

b:40.3
occ:1.00
F68 A:9191101 0.0 40.3 1.0
C38 A:9191101 1.3 36.9 1.0
C39 A:9191101 2.3 35.6 1.0
C37 A:9191101 2.4 36.4 1.0
N60 A:9191101 2.6 33.6 1.0
CE2 A:PHE767 2.9 30.2 1.0
CE A:LYS717 3.0 38.4 1.0
CD A:LYS717 3.1 37.3 1.0
CZ A:PHE767 3.2 31.5 1.0
NZ A:LYS717 3.3 40.0 1.0
O A:HOH1278 3.3 43.6 1.0
OE2 A:GLU732 3.4 39.2 1.0
C34 A:9191101 3.6 38.7 1.0
C36 A:9191101 3.6 37.5 1.0
CB A:LYS717 3.7 32.5 1.0
CD2 A:PHE767 3.9 30.7 1.0
C58 A:9191101 4.0 33.2 1.0
CG A:LYS717 4.0 34.7 1.0
C35 A:9191101 4.1 39.4 1.0
CE1 A:PHE767 4.2 31.4 1.0
CD A:GLU732 4.4 39.3 1.0
N56 A:9191101 4.6 32.5 1.0
OE1 A:GLU732 4.7 38.3 1.0
O65 A:9191101 4.7 38.6 1.0
CG A:PHE767 4.8 29.4 1.0
O63 A:9191101 4.9 30.8 1.0
CD1 A:PHE767 4.9 31.0 1.0
CD1 A:LEU765 5.0 34.0 1.0

Reference:

P.H.C.Godoi, A.S.Santiago, P.Z.Ramos, P.N.B.Silva, G.L.Righetto, C.R.W.Guimaraes, K.B.Massirer, P.Arruda, J.M.Elkins, A.M.Edwards. Crystal Structure of the Human PRPF4B in Complex with Rebastinib To Be Published.
Page generated: Thu Aug 1 18:35:19 2024

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