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Fluorine in PDB 3vf8: Crystal Structure of Spleen Tyrosine Kinase Syk Catalytic Domain with Pyrazolylbenzimidazole Inhibitor 416

Enzymatic activity of Crystal Structure of Spleen Tyrosine Kinase Syk Catalytic Domain with Pyrazolylbenzimidazole Inhibitor 416

All present enzymatic activity of Crystal Structure of Spleen Tyrosine Kinase Syk Catalytic Domain with Pyrazolylbenzimidazole Inhibitor 416:
2.7.10.2;

Protein crystallography data

The structure of Crystal Structure of Spleen Tyrosine Kinase Syk Catalytic Domain with Pyrazolylbenzimidazole Inhibitor 416, PDB code: 3vf8 was solved by L.R.Mclean, Y.Zhang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.54 / 2.08
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 39.743, 84.952, 89.734, 90.00, 90.00, 90.00
R / Rfree (%) 21.5 / 24.1

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Spleen Tyrosine Kinase Syk Catalytic Domain with Pyrazolylbenzimidazole Inhibitor 416 (pdb code 3vf8). 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 Spleen Tyrosine Kinase Syk Catalytic Domain with Pyrazolylbenzimidazole Inhibitor 416, PDB code: 3vf8:

Fluorine binding site 1 out of 1 in 3vf8

Go back to Fluorine Binding Sites List in 3vf8
Fluorine binding site 1 out of 1 in the Crystal Structure of Spleen Tyrosine Kinase Syk Catalytic Domain with Pyrazolylbenzimidazole Inhibitor 416


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 Spleen Tyrosine Kinase Syk Catalytic Domain with Pyrazolylbenzimidazole Inhibitor 416 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F701

b:35.3
occ:1.00
FAW A:0JE701 0.0 35.3 1.0
CAA A:0JE701 1.3 35.3 1.0
CAB A:0JE701 2.4 29.1 1.0
CAD A:0JE701 2.4 36.3 1.0
OAX A:0JE701 2.7 35.9 1.0
O A:LEU377 3.2 59.0 1.0
CAH A:0JE701 3.6 28.9 1.0
CAC A:0JE701 3.6 33.2 1.0
CAY A:0JE701 4.0 69.7 1.0
CAI A:0JE701 4.1 30.1 1.0
CD A:PRO455 4.2 24.6 1.0
C A:LEU377 4.2 59.3 1.0
CA A:LEU377 4.4 55.0 1.0
CB A:LEU377 4.7 54.9 1.0
CAZ A:0JE701 4.8 62.8 1.0
NAG A:0JE701 4.9 22.6 1.0
CD2 A:LEU377 4.9 61.5 1.0
CG A:PRO455 5.0 29.0 1.0

Reference:

L.R.Mclean, Y.Zhang, N.Zaidi, X.Bi, R.Wang, R.Dharanipragada, J.G.Jurcak, T.A.Gillespy, Z.Zhao, K.Y.Musick, Y.M.Choi, M.Barrague, J.Peppard, M.Smicker, M.Duguid, A.Parkar, J.Fordham, D.Kominos. X-Ray Crystallographic Structure-Based Design of Selective Thienopyrazole Inhibitors For Interleukin-2-Inducible Tyrosine Kinase. Bioorg.Med.Chem.Lett. V. 22 3296 2012.
ISSN: ISSN 0960-894X
PubMed: 22464456
DOI: 10.1016/J.BMCL.2012.03.016
Page generated: Sun Dec 13 11:57:01 2020

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