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Chlorine in PDB 3q4c: Crystal Structure of Wild Type Braf Kinase Domain in Complex with Organometallic Inhibitor CNS292

Enzymatic activity of Crystal Structure of Wild Type Braf Kinase Domain in Complex with Organometallic Inhibitor CNS292

All present enzymatic activity of Crystal Structure of Wild Type Braf Kinase Domain in Complex with Organometallic Inhibitor CNS292:
2.7.11.1;

Protein crystallography data

The structure of Crystal Structure of Wild Type Braf Kinase Domain in Complex with Organometallic Inhibitor CNS292, PDB code: 3q4c was solved by P.Xie, C.Streu, J.Qin, H.Pregman, N.Pagano, E.Meggers, R.Marmorstein, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 3.20
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 94.905, 94.905, 163.349, 90.00, 90.00, 90.00
R / Rfree (%) 23.2 / 28

Other elements in 3q4c:

The structure of Crystal Structure of Wild Type Braf Kinase Domain in Complex with Organometallic Inhibitor CNS292 also contains other interesting chemical elements:

Ruthenium (Ru) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Wild Type Braf Kinase Domain in Complex with Organometallic Inhibitor CNS292 (pdb code 3q4c). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Wild Type Braf Kinase Domain in Complex with Organometallic Inhibitor CNS292, PDB code: 3q4c:

Chlorine binding site 1 out of 1 in 3q4c

Go back to Chlorine Binding Sites List in 3q4c
Chlorine binding site 1 out of 1 in the Crystal Structure of Wild Type Braf Kinase Domain in Complex with Organometallic Inhibitor CNS292


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Wild Type Braf Kinase Domain in Complex with Organometallic Inhibitor CNS292 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1

b:91.5
occ:0.50
 CL A:RSW1 0.0 91.5 0.5
RU A:RSW1 2.2 93.1 0.5
N19 A:RSW1 3.1 91.0 0.5
N2 A:RSW1 3.1 91.0 0.5
C23 A:RSW1 3.3 91.6 0.5
C22 A:RSW1 3.3 91.4 0.5
C28 A:RSW1 3.7 89.8 0.5
C1 A:RSW1 3.7 90.0 0.5
C20 A:RSW1 3.8 90.0 0.5
C24 A:RSW1 3.8 92.0 0.5
C27 A:RSW1 3.9 91.8 0.5
C18 A:RSW1 3.9 90.1 0.5
O4 A:RSW1 4.0 88.5 0.5
C3 A:RSW1 4.1 90.0 0.5
C25 A:RSW1 4.3 91.9 0.5
C26 A:RSW1 4.3 92.2 0.5
O3 A:RSW1 4.4 88.9 0.5
CG2 A:ILE462 4.5 70.8 1.0
C4 A:RSW1 4.7 89.3 0.5
O A:ILE462 4.8 73.1 1.0
C9 A:RSW1 4.9 89.0 0.5
C15 A:RSW1 5.0 88.8 0.5

Reference:

P.Xie, C.Streu, J.Qin, H.Bregman, N.Pagano, E.Meggers, R.Marmorstein. The Crystal Structure of Braf in Complex with An Organoruthenium Inhibitor Reveals A Mechanism For Inhibition of An Active Form of Braf Kinase. Biochemistry V. 48 5187 2009.
ISSN: ISSN 0006-2960
PubMed: 19371126
DOI: 10.1021/BI802067U
Page generated: Sat Dec 12 10:03:53 2020

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