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Fluorine in PDB 2ivu: Crystal Structure of Phosphorylated Ret Tyrosine Kinase Domain Complexed with the Inhibitor ZD6474

Enzymatic activity of Crystal Structure of Phosphorylated Ret Tyrosine Kinase Domain Complexed with the Inhibitor ZD6474

All present enzymatic activity of Crystal Structure of Phosphorylated Ret Tyrosine Kinase Domain Complexed with the Inhibitor ZD6474:
2.7.10.1;

Protein crystallography data

The structure of Crystal Structure of Phosphorylated Ret Tyrosine Kinase Domain Complexed with the Inhibitor ZD6474, PDB code: 2ivu was solved by P.P.Knowles, J.Murray-Rust, N.Q.Mcdonald, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.50
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 71.409, 71.420, 78.834, 90.00, 101.23, 90.00
R / Rfree (%) 19 / 24.8

Other elements in 2ivu:

The structure of Crystal Structure of Phosphorylated Ret Tyrosine Kinase Domain Complexed with the Inhibitor ZD6474 also contains other interesting chemical elements:

Bromine (Br) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Phosphorylated Ret Tyrosine Kinase Domain Complexed with the Inhibitor ZD6474 (pdb code 2ivu). 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 Phosphorylated Ret Tyrosine Kinase Domain Complexed with the Inhibitor ZD6474, PDB code: 2ivu:

Fluorine binding site 1 out of 1 in 2ivu

Go back to Fluorine Binding Sites List in 2ivu
Fluorine binding site 1 out of 1 in the Crystal Structure of Phosphorylated Ret Tyrosine Kinase Domain Complexed with the Inhibitor ZD6474


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 Phosphorylated Ret Tyrosine Kinase Domain Complexed with the Inhibitor ZD6474 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F3015

b:33.9
occ:1.00
FAC A:ZD63015 0.0 33.9 1.0
CAV A:ZD63015 1.3 32.0 1.0
CAH A:ZD63015 2.3 31.0 1.0
CAW A:ZD63015 2.4 30.7 1.0
NAR A:ZD63015 2.8 28.4 1.0
N1 A:ZD63015 3.0 25.7 1.0
C6 A:ZD63015 3.1 27.4 1.0
CB A:ALA756 3.2 29.6 1.0
CG1 A:VAL738 3.4 31.8 1.0
CG2 A:VAL804 3.4 25.8 1.0
CAU A:ZD63015 3.5 33.0 1.0
C A:ALA756 3.6 29.7 1.0
CAF A:ZD63015 3.6 30.3 1.0
CG2 A:VAL738 3.7 31.3 1.0
N A:VAL757 3.8 29.6 1.0
O A:ALA756 3.9 29.5 1.0
C A:VAL757 4.0 29.7 1.0
C2 A:ZD63015 4.0 26.8 1.0
CA A:ALA756 4.0 30.1 1.0
N A:LYS758 4.0 29.6 1.0
CAE A:ZD63015 4.1 31.7 1.0
C5 A:ZD63015 4.1 27.3 1.0
CB A:VAL738 4.1 32.2 1.0
CA A:VAL757 4.3 29.5 1.0
O A:VAL757 4.3 28.8 1.0
CB A:LYS758 4.5 30.0 1.0
CA A:LYS758 4.7 29.8 1.0
CB A:VAL804 4.7 28.3 1.0
N3 A:ZD63015 4.8 27.1 1.0
CAJ A:ZD63015 4.8 26.8 1.0
C4 A:ZD63015 4.9 26.5 1.0
CG1 A:VAL804 4.9 25.8 1.0
CA A:VAL738 4.9 32.6 1.0

Reference:

P.P.Knowles, J.Murray-Rust, S.Kjaer, R.P.Scott, S.Hanrahan, M.Santoro, C.F.Ibanez, N.Q.Mcdonald. Structure and Chemical Inhibition of the Ret Tyrosine Kinase Domain. J. Biol. Chem. V. 281 33577 2006.
ISSN: ISSN 0021-9258
PubMed: 16928683
DOI: 10.1074/JBC.M605604200
Page generated: Wed Jul 31 14:57:37 2024

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