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Fluorine in PDB 3tc5: Selective Targeting of Disease-Relevant Protein Binding Domains By O- Phosphorylated Natural Product Derivatives

Enzymatic activity of Selective Targeting of Disease-Relevant Protein Binding Domains By O- Phosphorylated Natural Product Derivatives

All present enzymatic activity of Selective Targeting of Disease-Relevant Protein Binding Domains By O- Phosphorylated Natural Product Derivatives:
5.2.1.8;

Protein crystallography data

The structure of Selective Targeting of Disease-Relevant Protein Binding Domains By O- Phosphorylated Natural Product Derivatives, PDB code: 3tc5 was solved by M.Graeber, W.Janczyk, B.Sperl, N.Elumalai, C.Kozany, F.Hausch, T.A.Holak, T.Berg, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.73 / 1.40
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 68.360, 68.360, 79.370, 90.00, 90.00, 120.00
R / Rfree (%) 17.5 / 21.1

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Selective Targeting of Disease-Relevant Protein Binding Domains By O- Phosphorylated Natural Product Derivatives (pdb code 3tc5). 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 Selective Targeting of Disease-Relevant Protein Binding Domains By O- Phosphorylated Natural Product Derivatives, PDB code: 3tc5:

Fluorine binding site 1 out of 1 in 3tc5

Go back to Fluorine Binding Sites List in 3tc5
Fluorine binding site 1 out of 1 in the Selective Targeting of Disease-Relevant Protein Binding Domains By O- Phosphorylated Natural Product Derivatives


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Selective Targeting of Disease-Relevant Protein Binding Domains By O- Phosphorylated Natural Product Derivatives within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F164

b:25.9
occ:1.00
F A:3T5164 0.0 25.9 1.0
C5 A:3T5164 1.3 25.8 1.0
C16 A:3T5164 2.3 25.1 1.0
C7 A:3T5164 2.3 26.6 1.0
C4 A:3T5164 2.3 25.7 1.0
C13 A:3T5164 2.7 26.9 1.0
C9 A:3T5164 2.8 27.5 1.0
C17 A:3T5164 2.8 23.9 1.0
C15 A:3T5164 2.8 25.5 1.0
C3 A:3T5164 3.0 24.5 1.0
O A:HOH462 3.0 52.3 1.0
C14 A:3T5164 3.4 26.5 1.0
C12 A:3T5164 3.5 28.1 1.0
C2 A:3T5164 3.5 23.8 1.0
C10 A:3T5164 3.5 28.1 1.0
O1 A:3T5164 3.6 26.8 1.0
C8 A:3T5164 3.7 26.6 1.0
CB A:MET130 3.7 24.9 1.0
C11 A:3T5164 3.8 28.5 1.0
O A:GLN129 4.1 26.0 1.0
O A:HOH211 4.1 19.6 1.0
C18 A:3T5164 4.2 23.4 1.0
O3 A:3T5164 4.3 22.9 1.0
CA A:MET130 4.5 24.5 1.0
C21 A:3T5164 4.5 22.5 1.0
C1 A:3T5164 4.6 23.9 1.0
C A:GLN129 4.8 25.2 1.0
O2 A:3T5164 4.8 30.8 1.0
CG A:MET130 5.0 26.4 1.0

Reference:

M.Graber, W.Janczyk, B.Sperl, N.Elumalai, C.Kozany, F.Hausch, T.A.Holak, T.Berg. Selective Targeting of Disease-Relevant Protein Binding Domains By O-Phosphorylated Natural Product Derivatives. Acs Chem.Biol. V. 6 1008 2011.
ISSN: ISSN 1554-8929
PubMed: 21797253
DOI: 10.1021/CB2001796
Page generated: Wed Jul 31 22:42:25 2024

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