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Bromine in PDB 4q03: Second-Site Screening of K-Ras in the Presence of Covalently Attached First-Site Ligands

Enzymatic activity of Second-Site Screening of K-Ras in the Presence of Covalently Attached First-Site Ligands

All present enzymatic activity of Second-Site Screening of K-Ras in the Presence of Covalently Attached First-Site Ligands:
3.6.5.2;

Protein crystallography data

The structure of Second-Site Screening of K-Ras in the Presence of Covalently Attached First-Site Ligands, PDB code: 4q03 was solved by Q.Sun, J.Phan, A.Friberg, D.V.Camper, E.T.Olejniczak, S.W.Fesik, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 24.63 / 1.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 39.040, 41.542, 91.756, 90.00, 90.00, 90.00
R / Rfree (%) 16.5 / 18.8

Other elements in 4q03:

The structure of Second-Site Screening of K-Ras in the Presence of Covalently Attached First-Site Ligands also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Bromine Binding Sites:

The binding sites of Bromine atom in the Second-Site Screening of K-Ras in the Presence of Covalently Attached First-Site Ligands (pdb code 4q03). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Second-Site Screening of K-Ras in the Presence of Covalently Attached First-Site Ligands, PDB code: 4q03:

Bromine binding site 1 out of 1 in 4q03

Go back to Bromine Binding Sites List in 4q03
Bromine binding site 1 out of 1 in the Second-Site Screening of K-Ras in the Presence of Covalently Attached First-Site Ligands


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Second-Site Screening of K-Ras in the Presence of Covalently Attached First-Site Ligands within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br203

b:16.2
occ:1.00
 BR A:2XE203 0.0 16.2 1.0
CAI A:2XE203 1.9 12.7 1.0
CAK A:2XE203 2.8 12.4 1.0
CAO A:2XE203 2.9 13.6 1.0
HB A:THR74 3.0 17.2 1.0
HG22 A:THR74 3.1 28.6 1.0
HB2 A:TYR71 3.1 12.0 1.0
HA2 A:GLY75 3.2 10.1 1.0
HA A:TYR71 3.3 11.6 1.0
O A:TYR71 3.3 11.1 1.0
H A:GLY75 3.4 11.5 1.0
N A:GLY75 3.4 9.6 1.0
HG22 A:VAL7 3.4 9.6 1.0
HG21 A:THR74 3.6 28.6 1.0
HA3 A:GLY75 3.6 10.1 1.0
CG2 A:THR74 3.6 23.8 1.0
CA A:GLY75 3.6 8.4 1.0
HG21 A:VAL7 3.6 9.6 1.0
CB A:THR74 3.7 14.3 1.0
CG2 A:VAL7 3.9 8.0 1.0
O A:HOH612 3.9 32.8 1.0
HD22 A:LEU56 3.9 14.4 1.0
CA A:TYR71 3.9 9.7 1.0
HG23 A:VAL7 3.9 9.6 1.0
HB3 A:LYS5 3.9 11.7 1.0
CB A:TYR71 3.9 10.0 1.0
C A:THR74 4.0 10.8 1.0
C A:TYR71 4.0 9.7 1.0
CAL A:2XE203 4.1 12.7 1.0
CAN A:2XE203 4.1 15.2 1.0
HD3 A:LYS5 4.3 23.1 1.0
HB3 A:TYR71 4.3 12.0 1.0
O A:HOH402 4.4 23.2 1.0
CA A:THR74 4.5 14.3 1.0
HB2 A:LEU56 4.5 10.1 1.0
O A:THR74 4.5 11.7 1.0
HG23 A:THR74 4.5 28.6 1.0
HD23 A:LEU56 4.5 14.4 1.0
CAM A:2XE203 4.6 13.0 1.0
CD2 A:LEU56 4.6 12.0 1.0
O A:HOH617 4.7 36.5 1.0
H A:THR74 4.7 13.9 1.0
HD1 A:TYR71 4.8 11.4 1.0
O A:HOH547 4.8 39.3 1.0
CB A:LYS5 4.8 9.8 1.0
HB3 A:LEU56 4.9 10.1 1.0
OG1 A:THR74 4.9 21.5 1.0
HD2 A:LYS5 5.0 23.1 1.0

Reference:

Q.Sun, J.Phan, A.R.Friberg, D.V.Camper, E.T.Olejniczak, S.W.Fesik. A Method For the Second-Site Screening of K-Ras in the Presence of A Covalently Attached First-Site Ligand. J.Biomol.uc(Nmr) V. 60 11 2014.
ISSN: ISSN 0925-2738
PubMed: 25087006
DOI: 10.1007/S10858-014-9849-8
Page generated: Sat Dec 12 02:22:30 2020

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